Example taken from relational.fit.cvut.cz
URL on cplint.lamping.unife: http://cplint.lamping.unife.it/p/triazine.pl %
9:-use_module(library(liftcover)). 10 11 12:-lift. 13 14:-set_lift(depth_bound,false). 15:-set_lift(single_var,false). 16:-set_lift(megaex_bottom,4). 17:-set_lift(max_iter,20). 18:-set_lift(max_iter_structure,50). 19:-set_lift(maxdepth_var,10). 20:-set_lift(verbosity,3). 21:-set_lift(neg_ex,given). 22 23 24fold(f1,[25,26,17,121,16,114,69,134,100,55]). 25fold(f2,[27,108,60,77,28,131,141,182,74,112]). 26fold(f3,[92,95,122,50,91,37,54,75,129,80]). 27fold(f4,[68,183,67,7,65,116,87,81,84,180]). 28 29 30 31output(active/0). 32 33input(activity/1). 34 35input(p1_flex/1). 36input(p1_pi_doner/1). 37input(p1_polar/1). 38input(p1_h_doner/1). 39input(p1_h_acceptor/1). 40input(p1_size/1). 41input(p1_pi_acceptor/1). 42input(p1_branch/1). 43input(p1_sigma/1). 44input(p1_polarisable/1). 45 46input(p2_flex/1). 47input(p2_pi_doner/1). 48input(p2_polar/1). 49input(p2_h_doner/1). 50input(p2_h_acceptor/1). 51input(p2_size/1). 52input(p2_pi_acceptor/1). 53input(p2_branch/1). 54input(p2_sigma/1). 55input(p2_polarisable/1). 56 57input(p3_flex/1). 58input(p3_pi_doner/1). 59input(p3_polar/1). 60input(p3_h_doner/1). 61input(p3_h_acceptor/1). 62input(p3_size/1). 63input(p3_pi_acceptor/1). 64input(p3_branch/1). 65input(p3_sigma/1). 66input(p3_polarisable/1). 67 68input(p4_flex/1). 69input(p4_pi_doner/1). 70input(p4_polar/1). 71input(p4_h_doner/1). 72input(p4_h_acceptor/1). 73input(p4_size/1). 74input(p4_pi_acceptor/1). 75input(p4_branch/1). 76input(p4_sigma/1). 77input(p4_polarisable/1). 78 79input(p5_flex/1). 80input(p5_pi_doner/1). 81input(p5_polar/1). 82input(p5_h_doner/1). 83input(p5_h_acceptor/1). 84input(p5_size/1). 85input(p5_pi_acceptor/1). 86input(p5_branch/1). 87input(p5_sigma/1). 88input(p5_polarisable/1). 89 90input(p6_flex/1). 91input(p6_pi_doner/1). 92input(p6_polar/1). 93input(p6_h_doner/1). 94input(p6_h_acceptor/1). 95input(p6_size/1). 96input(p6_pi_acceptor/1). 97input(p6_branch/1). 98input(p6_sigma/1). 99input(p6_polarisable/1). 100 101modeh(*,active). 102 103modeb(*,activity(-#actf)). 104 105modeb(*,p1_polar(-#pol)). 106modeb(*,p1_size(-#si)). 107modeb(*,p1_flex(-#fl)). 108modeb(*,p1_h_donor(-#h_d)). 109modeb(*,p1_h_acceptor(-#h_a)). 110modeb(*,p1_pi_donor(-#p_d)). 111modeb(*,p1_pi_acceptor(-#p_a)). 112modeb(*,p1_polarizable(-#polar)). 113modeb(*,p1_sigma(-#s)). 114modeb(*,p2_polar(-#pol)). 115modeb(*,p2_size(-#si)). 116modeb(*,p2_flex(-#fl)). 117modeb(*,p2_h_donor(-#h_d)). 118modeb(*,p2_h_acceptor(-#h_a)). 119modeb(*,p2_pi_donor(-#p_d)). 120modeb(*,p2_pi_acceptor(-#p_a)). 121modeb(*,p2_polarizable(-#polar)). 122modeb(*,p2_sigma(-#s)). 123modeb(*,p3_polar(-#pol)). 124modeb(*,p3_size(-#si)). 125modeb(*,p3_flex(-#fl)). 126modeb(*,p3_h_donor(-#h_d)). 127modeb(*,p3_h_acceptor(-#h_a)). 128modeb(*,p3_pi_donor(-#p_d)). 129modeb(*,p3_pi_acceptor(-#p_a)). 130modeb(*,p3_polarizable(-#polar)). 131modeb(*,p3_sigma(-#s)). 132modeb(*,p4_polar(-#pol)). 133modeb(*,p4_size(-#si)). 134modeb(*,p4_flex(-#fl)). 135modeb(*,p4_h_donor(-#h_d)). 136modeb(*,p4_h_acceptor(-#h_a)). 137modeb(*,p4_pi_donor(-#p_d)). 138modeb(*,p4_pi_acceptor(-#p_a)). 139modeb(*,p4_polarizable(-#polar)). 140modeb(*,p4_sigma(-#s)). 141modeb(*,p5_polar(-#pol)). 142modeb(*,p5_size(-#si)). 143modeb(*,p5_flex(-#fl)). 144modeb(*,p5_h_donor(-#h_d)). 145modeb(*,p5_h_acceptor(-#h_a)). 146modeb(*,p5_pi_donor(-#p_d)). 147modeb(*,p5_pi_acceptor(-#p_a)). 148modeb(*,p5_polarizable(-#polar)). 149modeb(*,p5_sigma(-#s)). 150modeb(*,p6_polar(-#pol)). 151modeb(*,p6_size(-#si)). 152modeb(*,p6_flex(-#fl)). 153modeb(*,p6_h_donor(-#h_d)). 154modeb(*,p6_h_acceptor(-#h_a)). 155modeb(*,p6_pi_donor(-#p_d)). 156modeb(*,p6_pi_acceptor(-#p_a)). 157modeb(*,p6_polarizable(-#polar)). 158modeb(*,p6_sigma(-#s)). 159 160 161determination(active/0,activity/1). 162 163determination(active/0,p1_flex/1). 164determination(active/0,p1_pi_doner/1). 165determination(active/0,p1_polar/1). 166determination(active/0,p1_h_doner/1). 167determination(active/0,p1_h_acceptor/1). 168determination(active/0,p1_size/1). 169determination(active/0,p1_pi_acceptor/1). 170determination(active/0,p1_branch/1). 171determination(active/0,p1_sigma/1). 172determination(active/0,p1_polarisable/1). 173 174determination(active/0,p2_flex/1). 175determination(active/0,p2_pi_doner/1). 176determination(active/0,p2_polar/1). 177determination(active/0,p2_h_doner/1). 178determination(active/0,p2_h_acceptor/1). 179determination(active/0,p2_size/1). 180determination(active/0,p2_pi_acceptor/1). 181determination(active/0,p2_branch/1). 182determination(active/0,p2_sigma/1). 183determination(active/0,p2_polarisable/1). 184 185determination(active/0,p3_flex/1). 186determination(active/0,p3_pi_doner/1). 187determination(active/0,p3_polar/1). 188determination(active/0,p3_h_doner/1). 189determination(active/0,p3_h_acceptor/1). 190determination(active/0,p3_size/1). 191determination(active/0,p3_pi_acceptor/1). 192determination(active/0,p3_branch/1). 193determination(active/0,p3_sigma/1). 194determination(active/0,p3_polarisable/1). 195 196determination(active/0,p4_flex/1). 197determination(active/0,p4_pi_doner/1). 198determination(active/0,p4_polar/1). 199determination(active/0,p4_h_doner/1). 200determination(active/0,p4_h_acceptor/1). 201determination(active/0,p4_size/1). 202determination(active/0,p4_pi_acceptor/1). 203determination(active/0,p4_branch/1). 204determination(active/0,p4_sigma/1). 205determination(active/0,p4_polarisable/1). 206 207determination(active/0,p5_flex/1). 208determination(active/0,p5_pi_doner/1). 209determination(active/0,p5_polar/1). 210determination(active/0,p5_h_doner/1). 211determination(active/0,p5_h_acceptor/1). 212determination(active/0,p5_size/1). 213determination(active/0,p5_pi_acceptor/1). 214determination(active/0,p5_branch/1). 215determination(active/0,p5_sigma/1). 216determination(active/0,p5_polarisable/1). 217 218determination(active/0,p6_flex/1). 219determination(active/0,p6_pi_doner/1). 220determination(active/0,p6_polar/1). 221determination(active/0,p6_h_doner/1). 222determination(active/0,p6_h_acceptor/1). 223determination(active/0,p6_size/1). 224determination(active/0,p6_pi_acceptor/1). 225determination(active/0,p6_branch/1). 226determination(active/0,p6_sigma/1). 227determination(active/0,p6_polarisable/1). 228 229 230neg(active(7)). 231neg(active(16)). 232neg(active(17)). 233neg(active(25)). 234neg(active(26)). 235neg(active(27)). 236neg(active(28)). 237neg(active(50)). 238neg(active(60)). 239neg(active(65)). 240neg(active(67)). 241neg(active(68)). 242neg(active(77)). 243neg(active(91)). 244neg(active(92)). 245neg(active(95)). 246neg(active(108)). 247neg(active(121)). 248neg(active(122)). 249neg(active(183)). 250 251active(37). 252active(54). 253active(55). 254active(69). 255active(74). 256active(75). 257active(80). 258active(81). 259active(84). 260active(87). 261active(100). 262active(112). 263active(114). 264active(116). 265active(129). 266active(131). 267active(134). 268active(141). 269active(180). 270active(182). 271 272 273%active :- activity(_Act). 274%neg(active) :- \+ active. 275 276 277activity(7,0.427). 278activity(16,0.195). 279activity(17,0.104). 280activity(25,0.1). 281activity(26,0.1). 282activity(27,0.206). 283activity(28,0.351). 284activity(50,0.409). 285activity(60,0.32). 286activity(65,0.442). 287activity(67,0.423). 288activity(68,0.415). 289activity(77,0.336). 290activity(91,0.409). 291activity(92,0.365). 292activity(95,0.396). 293activity(108,0.258). 294activity(121,0.135). 295activity(122,0.396). 296activity(183,0.417). 297 298activity(37,0.838). 299activity(54,0.838). 300activity(55,0.817). 301activity(69,0.811). 302activity(74,0.827). 303activity(75,0.842). 304activity(80,0.861). 305activity(81,0.867). 306activity(84,0.873). 307activity(87,0.865). 308activity(100,0.815). 309activity(112,0.827). 310activity(114,0.809). 311activity(116,0.861). 312activity(129,0.844). 313activity(131,0.817). 314activity(134,0.811). 315activity(141,0.817). 316activity(180,0.9). 317activity(182,0.817). 318 319 320%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 321% Molecule position information 322%% 323 324p1_flex(1,0.1). 325p1_pi_doner(1,0.1). 326p1_polar(1,0.1). 327p1_h_doner(1,0.1). 328p1_h_acceptor(1,0.1). 329p1_size(1,0.1). 330p1_pi_acceptor(1,0.1). 331p1_branch(1,0.1). 332p1_sigma(1,0.1). 333p1_polarisable(1,0.1). 334p1_flex(2,0.1). 335p1_pi_doner(2,0.1). 336p1_polar(2,0.1). 337p1_h_doner(2,0.1). 338p1_h_acceptor(2,0.1). 339p1_size(2,0.1). 340p1_pi_acceptor(2,0.1). 341p1_branch(2,0.1). 342p1_sigma(2,0.1). 343p1_polarisable(2,0.1). 344p1_flex(3,0.1). 345p1_pi_doner(3,0.1). 346p1_polar(3,0.1). 347p1_h_doner(3,0.1). 348p1_h_acceptor(3,0.1). 349p1_size(3,0.1). 350p1_pi_acceptor(3,0.1). 351p1_branch(3,0.1). 352p1_sigma(3,0.1). 353p1_polarisable(3,0.1). 354p1_flex(4,0.1). 355p1_pi_doner(4,0.1). 356p1_polar(4,0.1). 357p1_h_doner(4,0.1). 358p1_h_acceptor(4,0.1). 359p1_size(4,0.1). 360p1_pi_acceptor(4,0.1). 361p1_branch(4,0.1). 362p1_sigma(4,0.1). 363p1_polarisable(4,0.1). 364p1_flex(5,0.1). 365p1_pi_doner(5,0.1). 366p1_polar(5,0.1). 367p1_h_doner(5,0.1). 368p1_h_acceptor(5,0.1). 369p1_size(5,0.1). 370p1_pi_acceptor(5,0.1). 371p1_branch(5,0.1). 372p1_sigma(5,0.1). 373p1_polarisable(5,0.1). 374p1_flex(6,0.1). 375p1_pi_doner(6,0.1). 376p1_polar(6,0.1). 377p1_h_doner(6,0.1). 378p1_h_acceptor(6,0.1). 379p1_size(6,0.1). 380p1_pi_acceptor(6,0.1). 381p1_branch(6,0.1). 382p1_sigma(6,0.1). 383p1_polarisable(6,0.1). 384p1_flex(7,0.1). 385p1_pi_doner(7,0.1). 386p1_polar(7,0.1). 387p1_h_doner(7,0.1). 388p1_h_acceptor(7,0.1). 389p1_size(7,0.1). 390p1_pi_acceptor(7,0.1). 391p1_branch(7,0.1). 392p1_sigma(7,0.1). 393p1_polarisable(7,0.1). 394p1_flex(8,0.1). 395p1_pi_doner(8,0.1). 396p1_polar(8,0.1). 397p1_h_doner(8,0.1). 398p1_h_acceptor(8,0.1). 399p1_size(8,0.1). 400p1_pi_acceptor(8,0.1). 401p1_branch(8,0.1). 402p1_sigma(8,0.1). 403p1_polarisable(8,0.1). 404p1_flex(9,0.1). 405p1_pi_doner(9,0.1). 406p1_polar(9,0.1). 407p1_h_doner(9,0.1). 408p1_h_acceptor(9,0.1). 409p1_size(9,0.1). 410p1_pi_acceptor(9,0.1). 411p1_branch(9,0.1). 412p1_sigma(9,0.1). 413p1_polarisable(9,0.1). 414p1_flex(10,0.1). 415p1_pi_doner(10,0.1). 416p1_polar(10,0.1). 417p1_h_doner(10,0.1). 418p1_h_acceptor(10,0.1). 419p1_size(10,0.1). 420p1_pi_acceptor(10,0.1). 421p1_branch(10,0.1). 422p1_sigma(10,0.1). 423p1_polarisable(10,0.1). 424p1_flex(11,0.1). 425p1_pi_doner(11,0.1). 426p1_polar(11,0.1). 427p1_h_doner(11,0.1). 428p1_h_acceptor(11,0.1). 429p1_size(11,0.1). 430p1_pi_acceptor(11,0.1). 431p1_branch(11,0.1). 432p1_sigma(11,0.1). 433p1_polarisable(11,0.1). 434p1_flex(12,0.1). 435p1_pi_doner(12,0.1). 436p1_polar(12,0.1). 437p1_h_doner(12,0.1). 438p1_h_acceptor(12,0.1). 439p1_size(12,0.1). 440p1_pi_acceptor(12,0.1). 441p1_branch(12,0.1). 442p1_sigma(12,0.1). 443p1_polarisable(12,0.1). 444p1_flex(13,0.1). 445p1_pi_doner(13,0.1). 446p1_polar(13,0.1). 447p1_h_doner(13,0.1). 448p1_h_acceptor(13,0.1). 449p1_size(13,0.1). 450p1_pi_acceptor(13,0.1). 451p1_branch(13,0.1). 452p1_sigma(13,0.1). 453p1_polarisable(13,0.1). 454p1_flex(14,0.1). 455p1_pi_doner(14,0.1). 456p1_polar(14,0.1). 457p1_h_doner(14,0.1). 458p1_h_acceptor(14,0.1). 459p1_size(14,0.1). 460p1_pi_acceptor(14,0.1). 461p1_branch(14,0.1). 462p1_sigma(14,0.1). 463p1_polarisable(14,0.1). 464p1_flex(15,0.1). 465p1_pi_doner(15,0.1). 466p1_polar(15,0.1). 467p1_h_doner(15,0.1). 468p1_h_acceptor(15,0.1). 469p1_size(15,0.1). 470p1_pi_acceptor(15,0.1). 471p1_branch(15,0.1). 472p1_sigma(15,0.1). 473p1_polarisable(15,0.1). 474p1_flex(16,0.1). 475p1_pi_doner(16,0.1). 476p1_polar(16,0.1). 477p1_h_doner(16,0.1). 478p1_h_acceptor(16,0.1). 479p1_size(16,0.1). 480p1_pi_acceptor(16,0.1). 481p1_branch(16,0.1). 482p1_sigma(16,0.1). 483p1_polarisable(16,0.1). 484p1_flex(17,0.1). 485p1_pi_doner(17,0.1). 486p1_polar(17,0.26). 487p1_h_doner(17,0.1). 488p1_h_acceptor(17,0.1). 489p1_size(17,0.1). 490p1_pi_acceptor(17,0.1). 491p1_branch(17,0.1). 492p1_sigma(17,0.1). 493p1_polarisable(17,0.1). 494p1_flex(18,0.1). 495p1_pi_doner(18,0.1). 496p1_polar(18,0.26). 497p1_h_doner(18,0.1). 498p1_h_acceptor(18,0.1). 499p1_size(18,0.1). 500p1_pi_acceptor(18,0.1). 501p1_branch(18,0.1). 502p1_sigma(18,0.1). 503p1_polarisable(18,0.1). 504p1_flex(19,0.1). 505p1_pi_doner(19,0.1). 506p1_polar(19,0.26). 507p1_h_doner(19,0.1). 508p1_h_acceptor(19,0.1). 509p1_size(19,0.1). 510p1_pi_acceptor(19,0.1). 511p1_branch(19,0.1). 512p1_sigma(19,0.1). 513p1_polarisable(19,0.1). 514p1_flex(20,0.1). 515p1_pi_doner(20,0.1). 516p1_polar(20,0.26). 517p1_h_doner(20,0.1). 518p1_h_acceptor(20,0.1). 519p1_size(20,0.1). 520p1_pi_acceptor(20,0.1). 521p1_branch(20,0.1). 522p1_sigma(20,0.1). 523p1_polarisable(20,0.1). 524p1_flex(21,0.1). 525p1_pi_doner(21,0.1). 526p1_polar(21,0.26). 527p1_h_doner(21,0.1). 528p1_h_acceptor(21,0.1). 529p1_size(21,0.1). 530p1_pi_acceptor(21,0.1). 531p1_branch(21,0.1). 532p1_sigma(21,0.1). 533p1_polarisable(21,0.1). 534p1_flex(22,0.1). 535p1_pi_doner(22,0.1). 536p1_polar(22,0.26). 537p1_h_doner(22,0.1). 538p1_h_acceptor(22,0.1). 539p1_size(22,0.1). 540p1_pi_acceptor(22,0.1). 541p1_branch(22,0.1). 542p1_sigma(22,0.1). 543p1_polarisable(22,0.1). 544p1_flex(23,0.1). 545p1_pi_doner(23,0.1). 546p1_polar(23,0.26). 547p1_h_doner(23,0.1). 548p1_h_acceptor(23,0.1). 549p1_size(23,0.1). 550p1_pi_acceptor(23,0.1). 551p1_branch(23,0.1). 552p1_sigma(23,0.1). 553p1_polarisable(23,0.1). 554p1_flex(24,0.1). 555p1_pi_doner(24,0.1). 556p1_polar(24,0.26). 557p1_h_doner(24,0.1). 558p1_h_acceptor(24,0.1). 559p1_size(24,0.1). 560p1_pi_acceptor(24,0.1). 561p1_branch(24,0.1). 562p1_sigma(24,0.1). 563p1_polarisable(24,0.1). 564p1_flex(25,0.1). 565p1_pi_doner(25,0.1). 566p1_polar(25,0.26). 567p1_h_doner(25,0.1). 568p1_h_acceptor(25,0.1). 569p1_size(25,0.1). 570p1_pi_acceptor(25,0.1). 571p1_branch(25,0.1). 572p1_sigma(25,0.1). 573p1_polarisable(25,0.1). 574p1_flex(26,0.1). 575p1_pi_doner(26,0.1). 576p1_polar(26,0.26). 577p1_h_doner(26,0.1). 578p1_h_acceptor(26,0.1). 579p1_size(26,0.1). 580p1_pi_acceptor(26,0.1). 581p1_branch(26,0.1). 582p1_sigma(26,0.1). 583p1_polarisable(26,0.1). 584p1_flex(27,0.1). 585p1_pi_doner(27,0.1). 586p1_polar(27,0.26). 587p1_h_doner(27,0.1). 588p1_h_acceptor(27,0.1). 589p1_size(27,0.1). 590p1_pi_acceptor(27,0.1). 591p1_branch(27,0.1). 592p1_sigma(27,0.1). 593p1_polarisable(27,0.1). 594p1_flex(28,0.1). 595p1_pi_doner(28,0.1). 596p1_polar(28,0.26). 597p1_h_doner(28,0.1). 598p1_h_acceptor(28,0.1). 599p1_size(28,0.1). 600p1_pi_acceptor(28,0.1). 601p1_branch(28,0.1). 602p1_sigma(28,0.1). 603p1_polarisable(28,0.1). 604p1_flex(29,0.1). 605p1_pi_doner(29,0.1). 606p1_polar(29,0.26). 607p1_h_doner(29,0.1). 608p1_h_acceptor(29,0.1). 609p1_size(29,0.1). 610p1_pi_acceptor(29,0.1). 611p1_branch(29,0.1). 612p1_sigma(29,0.1). 613p1_polarisable(29,0.1). 614p1_flex(30,0.1). 615p1_pi_doner(30,0.1). 616p1_polar(30,0.26). 617p1_h_doner(30,0.1). 618p1_h_acceptor(30,0.1). 619p1_size(30,0.1). 620p1_pi_acceptor(30,0.1). 621p1_branch(30,0.1). 622p1_sigma(30,0.1). 623p1_polarisable(30,0.1). 624p1_flex(31,0.1). 625p1_pi_doner(31,0.1). 626p1_polar(31,0.26). 627p1_h_doner(31,0.1). 628p1_h_acceptor(31,0.1). 629p1_size(31,0.1). 630p1_pi_acceptor(31,0.1). 631p1_branch(31,0.1). 632p1_sigma(31,0.1). 633p1_polarisable(31,0.1). 634p1_flex(32,0.1). 635p1_pi_doner(32,0.1). 636p1_polar(32,0.26). 637p1_h_doner(32,0.1). 638p1_h_acceptor(32,0.1). 639p1_size(32,0.1). 640p1_pi_acceptor(32,0.1). 641p1_branch(32,0.1). 642p1_sigma(32,0.1). 643p1_polarisable(32,0.1). 644p1_flex(33,0.1). 645p1_pi_doner(33,0.1). 646p1_polar(33,0.26). 647p1_h_doner(33,0.1). 648p1_h_acceptor(33,0.1). 649p1_size(33,0.1). 650p1_pi_acceptor(33,0.1). 651p1_branch(33,0.1). 652p1_sigma(33,0.1). 653p1_polarisable(33,0.1). 654p1_flex(34,0.1). 655p1_pi_doner(34,0.1). 656p1_polar(34,0.26). 657p1_h_doner(34,0.1). 658p1_h_acceptor(34,0.1). 659p1_size(34,0.1). 660p1_pi_acceptor(34,0.1). 661p1_branch(34,0.1). 662p1_sigma(34,0.1). 663p1_polarisable(34,0.1). 664p1_flex(35,0.1). 665p1_pi_doner(35,0.1). 666p1_polar(35,0.26). 667p1_h_doner(35,0.1). 668p1_h_acceptor(35,0.1). 669p1_size(35,0.1). 670p1_pi_acceptor(35,0.1). 671p1_branch(35,0.1). 672p1_sigma(35,0.1). 673p1_polarisable(35,0.1). 674p1_flex(36,0.1). 675p1_pi_doner(36,0.1). 676p1_polar(36,0.26). 677p1_h_doner(36,0.1). 678p1_h_acceptor(36,0.1). 679p1_size(36,0.1). 680p1_pi_acceptor(36,0.1). 681p1_branch(36,0.1). 682p1_sigma(36,0.1). 683p1_polarisable(36,0.1). 684p1_flex(37,0.1). 685p1_pi_doner(37,0.1). 686p1_polar(37,0.26). 687p1_h_doner(37,0.1). 688p1_h_acceptor(37,0.1). 689p1_size(37,0.1). 690p1_pi_acceptor(37,0.1). 691p1_branch(37,0.1). 692p1_sigma(37,0.1). 693p1_polarisable(37,0.1). 694p1_flex(38,0.1). 695p1_pi_doner(38,0.1). 696p1_polar(38,0.26). 697p1_h_doner(38,0.1). 698p1_h_acceptor(38,0.1). 699p1_size(38,0.1). 700p1_pi_acceptor(38,0.1). 701p1_branch(38,0.1). 702p1_sigma(38,0.1). 703p1_polarisable(38,0.1). 704p1_flex(39,0.1). 705p1_pi_doner(39,0.1). 706p1_polar(39,0.26). 707p1_h_doner(39,0.1). 708p1_h_acceptor(39,0.1). 709p1_size(39,0.1). 710p1_pi_acceptor(39,0.1). 711p1_branch(39,0.1). 712p1_sigma(39,0.1). 713p1_polarisable(39,0.1). 714p1_flex(40,0.1). 715p1_pi_doner(40,0.1). 716p1_polar(40,0.26). 717p1_h_doner(40,0.1). 718p1_h_acceptor(40,0.1). 719p1_size(40,0.1). 720p1_pi_acceptor(40,0.1). 721p1_branch(40,0.1). 722p1_sigma(40,0.1). 723p1_polarisable(40,0.1). 724p1_flex(41,0.1). 725p1_pi_doner(41,0.1). 726p1_polar(41,0.26). 727p1_h_doner(41,0.1). 728p1_h_acceptor(41,0.1). 729p1_size(41,0.1). 730p1_pi_acceptor(41,0.1). 731p1_branch(41,0.1). 732p1_sigma(41,0.1). 733p1_polarisable(41,0.1). 734p1_flex(42,0.1). 735p1_pi_doner(42,0.1). 736p1_polar(42,0.26). 737p1_h_doner(42,0.1). 738p1_h_acceptor(42,0.1). 739p1_size(42,0.1). 740p1_pi_acceptor(42,0.1). 741p1_branch(42,0.1). 742p1_sigma(42,0.1). 743p1_polarisable(42,0.1). 744p1_flex(43,0.1). 745p1_pi_doner(43,0.1). 746p1_polar(43,0.26). 747p1_h_doner(43,0.1). 748p1_h_acceptor(43,0.1). 749p1_size(43,0.1). 750p1_pi_acceptor(43,0.1). 751p1_branch(43,0.1). 752p1_sigma(43,0.1). 753p1_polarisable(43,0.1). 754p1_flex(44,0.1). 755p1_pi_doner(44,0.1). 756p1_polar(44,0.26). 757p1_h_doner(44,0.1). 758p1_h_acceptor(44,0.1). 759p1_size(44,0.1). 760p1_pi_acceptor(44,0.1). 761p1_branch(44,0.1). 762p1_sigma(44,0.1). 763p1_polarisable(44,0.1). 764p1_flex(45,0.1). 765p1_pi_doner(45,0.1). 766p1_polar(45,0.26). 767p1_h_doner(45,0.1). 768p1_h_acceptor(45,0.1). 769p1_size(45,0.1). 770p1_pi_acceptor(45,0.1). 771p1_branch(45,0.1). 772p1_sigma(45,0.1). 773p1_polarisable(45,0.1). 774p1_flex(46,0.1). 775p1_pi_doner(46,0.1). 776p1_polar(46,0.26). 777p1_h_doner(46,0.1). 778p1_h_acceptor(46,0.1). 779p1_size(46,0.1). 780p1_pi_acceptor(46,0.1). 781p1_branch(46,0.1). 782p1_sigma(46,0.1). 783p1_polarisable(46,0.1). 784p1_flex(47,0.1). 785p1_pi_doner(47,0.1). 786p1_polar(47,0.26). 787p1_h_doner(47,0.1). 788p1_h_acceptor(47,0.1). 789p1_size(47,0.1). 790p1_pi_acceptor(47,0.1). 791p1_branch(47,0.1). 792p1_sigma(47,0.1). 793p1_polarisable(47,0.1). 794p1_flex(48,0.1). 795p1_pi_doner(48,0.1). 796p1_polar(48,0.26). 797p1_h_doner(48,0.1). 798p1_h_acceptor(48,0.1). 799p1_size(48,0.1). 800p1_pi_acceptor(48,0.1). 801p1_branch(48,0.1). 802p1_sigma(48,0.1). 803p1_polarisable(48,0.1). 804p1_flex(49,0.1). 805p1_pi_doner(49,0.1). 806p1_polar(49,0.26). 807p1_h_doner(49,0.1). 808p1_h_acceptor(49,0.1). 809p1_size(49,0.1). 810p1_pi_acceptor(49,0.1). 811p1_branch(49,0.1). 812p1_sigma(49,0.1). 813p1_polarisable(49,0.1). 814p1_flex(50,0.1). 815p1_pi_doner(50,0.1). 816p1_polar(50,0.26). 817p1_h_doner(50,0.1). 818p1_h_acceptor(50,0.1). 819p1_size(50,0.1). 820p1_pi_acceptor(50,0.1). 821p1_branch(50,0.1). 822p1_sigma(50,0.1). 823p1_polarisable(50,0.1). 824p1_flex(51,0.1). 825p1_pi_doner(51,0.1). 826p1_polar(51,0.26). 827p1_h_doner(51,0.1). 828p1_h_acceptor(51,0.1). 829p1_size(51,0.1). 830p1_pi_acceptor(51,0.1). 831p1_branch(51,0.1). 832p1_sigma(51,0.1). 833p1_polarisable(51,0.1). 834p1_flex(52,0.1). 835p1_pi_doner(52,0.1). 836p1_polar(52,0.26). 837p1_h_doner(52,0.1). 838p1_h_acceptor(52,0.1). 839p1_size(52,0.1). 840p1_pi_acceptor(52,0.1). 841p1_branch(52,0.1). 842p1_sigma(52,0.1). 843p1_polarisable(52,0.1). 844p1_flex(53,0.1). 845p1_pi_doner(53,0.1). 846p1_polar(53,0.26). 847p1_h_doner(53,0.1). 848p1_h_acceptor(53,0.1). 849p1_size(53,0.1). 850p1_pi_acceptor(53,0.1). 851p1_branch(53,0.1). 852p1_sigma(53,0.1). 853p1_polarisable(53,0.1). 854p1_flex(54,0.1). 855p1_pi_doner(54,0.1). 856p1_polar(54,0.26). 857p1_h_doner(54,0.1). 858p1_h_acceptor(54,0.1). 859p1_size(54,0.1). 860p1_pi_acceptor(54,0.1). 861p1_branch(54,0.1). 862p1_sigma(54,0.1). 863p1_polarisable(54,0.1). 864p1_flex(55,0.1). 865p1_pi_doner(55,0.1). 866p1_polar(55,0.26). 867p1_h_doner(55,0.1). 868p1_h_acceptor(55,0.1). 869p1_size(55,0.1). 870p1_pi_acceptor(55,0.1). 871p1_branch(55,0.1). 872p1_sigma(55,0.1). 873p1_polarisable(55,0.1). 874p1_flex(56,0.1). 875p1_pi_doner(56,0.1). 876p1_polar(56,0.26). 877p1_h_doner(56,0.1). 878p1_h_acceptor(56,0.1). 879p1_size(56,0.1). 880p1_pi_acceptor(56,0.1). 881p1_branch(56,0.1). 882p1_sigma(56,0.1). 883p1_polarisable(56,0.1). 884p1_flex(57,0.1). 885p1_pi_doner(57,0.1). 886p1_polar(57,0.26). 887p1_h_doner(57,0.1). 888p1_h_acceptor(57,0.1). 889p1_size(57,0.1). 890p1_pi_acceptor(57,0.1). 891p1_branch(57,0.1). 892p1_sigma(57,0.1). 893p1_polarisable(57,0.1). 894p1_flex(58,0.1). 895p1_pi_doner(58,0.1). 896p1_polar(58,0.26). 897p1_h_doner(58,0.1). 898p1_h_acceptor(58,0.1). 899p1_size(58,0.1). 900p1_pi_acceptor(58,0.1). 901p1_branch(58,0.1). 902p1_sigma(58,0.1). 903p1_polarisable(58,0.1). 904p1_flex(59,0.1). 905p1_pi_doner(59,0.1). 906p1_polar(59,0.26). 907p1_h_doner(59,0.1). 908p1_h_acceptor(59,0.1). 909p1_size(59,0.1). 910p1_pi_acceptor(59,0.1). 911p1_branch(59,0.1). 912p1_sigma(59,0.1). 913p1_polarisable(59,0.1). 914p1_flex(60,0.1). 915p1_pi_doner(60,0.1). 916p1_polar(60,0.26). 917p1_h_doner(60,0.1). 918p1_h_acceptor(60,0.1). 919p1_size(60,0.1). 920p1_pi_acceptor(60,0.1). 921p1_branch(60,0.1). 922p1_sigma(60,0.1). 923p1_polarisable(60,0.1). 924p1_flex(61,0.1). 925p1_pi_doner(61,0.1). 926p1_polar(61,0.26). 927p1_h_doner(61,0.1). 928p1_h_acceptor(61,0.1). 929p1_size(61,0.1). 930p1_pi_acceptor(61,0.1). 931p1_branch(61,0.1). 932p1_sigma(61,0.1). 933p1_polarisable(61,0.1). 934p1_flex(62,0.1). 935p1_pi_doner(62,0.1). 936p1_polar(62,0.26). 937p1_h_doner(62,0.1). 938p1_h_acceptor(62,0.1). 939p1_size(62,0.1). 940p1_pi_acceptor(62,0.1). 941p1_branch(62,0.1). 942p1_sigma(62,0.1). 943p1_polarisable(62,0.1). 944p1_flex(63,0.1). 945p1_pi_doner(63,0.1). 946p1_polar(63,0.26). 947p1_h_doner(63,0.1). 948p1_h_acceptor(63,0.1). 949p1_size(63,0.1). 950p1_pi_acceptor(63,0.1). 951p1_branch(63,0.1). 952p1_sigma(63,0.1). 953p1_polarisable(63,0.1). 954p1_flex(64,0.1). 955p1_pi_doner(64,0.1). 956p1_polar(64,0.26). 957p1_h_doner(64,0.1). 958p1_h_acceptor(64,0.1). 959p1_size(64,0.1). 960p1_pi_acceptor(64,0.1). 961p1_branch(64,0.1). 962p1_sigma(64,0.1). 963p1_polarisable(64,0.1). 964p1_flex(65,0.1). 965p1_pi_doner(65,0.1). 966p1_polar(65,0.26). 967p1_h_doner(65,0.1). 968p1_h_acceptor(65,0.1). 969p1_size(65,0.1). 970p1_pi_acceptor(65,0.1). 971p1_branch(65,0.1). 972p1_sigma(65,0.1). 973p1_polarisable(65,0.1). 974p1_flex(66,0.1). 975p1_pi_doner(66,0.1). 976p1_polar(66,0.26). 977p1_h_doner(66,0.1). 978p1_h_acceptor(66,0.1). 979p1_size(66,0.1). 980p1_pi_acceptor(66,0.1). 981p1_branch(66,0.1). 982p1_sigma(66,0.1). 983p1_polarisable(66,0.1). 984p1_flex(67,0.1). 985p1_pi_doner(67,0.1). 986p1_polar(67,0.26). 987p1_h_doner(67,0.1). 988p1_h_acceptor(67,0.1). 989p1_size(67,0.1). 990p1_pi_acceptor(67,0.1). 991p1_branch(67,0.1). 992p1_sigma(67,0.1). 993p1_polarisable(67,0.1). 994p1_flex(68,0.1). 995p1_pi_doner(68,0.1). 996p1_polar(68,0.26). 997p1_h_doner(68,0.1). 998p1_h_acceptor(68,0.1). 999p1_size(68,0.1). 1000p1_pi_acceptor(68,0.1). 1001p1_branch(68,0.1). 1002p1_sigma(68,0.1). 1003p1_polarisable(68,0.1). 1004p1_flex(69,0.1). 1005p1_pi_doner(69,0.1). 1006p1_polar(69,0.26). 1007p1_h_doner(69,0.1). 1008p1_h_acceptor(69,0.1). 1009p1_size(69,0.1). 1010p1_pi_acceptor(69,0.1). 1011p1_branch(69,0.1). 1012p1_sigma(69,0.1). 1013p1_polarisable(69,0.1). 1014p1_flex(70,0.1). 1015p1_pi_doner(70,0.1). 1016p1_polar(70,0.26). 1017p1_h_doner(70,0.1). 1018p1_h_acceptor(70,0.1). 1019p1_size(70,0.1). 1020p1_pi_acceptor(70,0.1). 1021p1_branch(70,0.1). 1022p1_sigma(70,0.1). 1023p1_polarisable(70,0.1). 1024p1_flex(71,0.1). 1025p1_pi_doner(71,0.1). 1026p1_polar(71,0.26). 1027p1_h_doner(71,0.1). 1028p1_h_acceptor(71,0.1). 1029p1_size(71,0.1). 1030p1_pi_acceptor(71,0.1). 1031p1_branch(71,0.1). 1032p1_sigma(71,0.1). 1033p1_polarisable(71,0.1). 1034p1_flex(72,0.1). 1035p1_pi_doner(72,0.1). 1036p1_polar(72,0.26). 1037p1_h_doner(72,0.1). 1038p1_h_acceptor(72,0.1). 1039p1_size(72,0.1). 1040p1_pi_acceptor(72,0.1). 1041p1_branch(72,0.1). 1042p1_sigma(72,0.1). 1043p1_polarisable(72,0.1). 1044p1_flex(73,0.1). 1045p1_pi_doner(73,0.1). 1046p1_polar(73,0.26). 1047p1_h_doner(73,0.1). 1048p1_h_acceptor(73,0.1). 1049p1_size(73,0.233). 1050p1_pi_acceptor(73,0.1). 1051p1_branch(73,0.1). 1052p1_sigma(73,0.1). 1053p1_polarisable(73,0.5). 1054p1_flex(74,0.367). 1055p1_pi_doner(74,0.1). 1056p1_polar(74,0.26). 1057p1_h_doner(74,0.1). 1058p1_h_acceptor(74,0.1). 1059p1_size(74,0.367). 1060p1_pi_acceptor(74,0.1). 1061p1_branch(74,0.1). 1062p1_sigma(74,0.1). 1063p1_polarisable(74,0.5). 1064p1_flex(75,0.367). 1065p1_pi_doner(75,0.1). 1066p1_polar(75,0.26). 1067p1_h_doner(75,0.1). 1068p1_h_acceptor(75,0.1). 1069p1_size(75,0.367). 1070p1_pi_acceptor(75,0.1). 1071p1_branch(75,0.1). 1072p1_sigma(75,0.1). 1073p1_polarisable(75,0.5). 1074p1_flex(76,0.367). 1075p1_pi_doner(76,0.1). 1076p1_polar(76,0.26). 1077p1_h_doner(76,0.1). 1078p1_h_acceptor(76,0.1). 1079p1_size(76,0.367). 1080p1_pi_acceptor(76,0.1). 1081p1_branch(76,0.1). 1082p1_sigma(76,0.1). 1083p1_polarisable(76,0.5). 1084p1_flex(77,0.367). 1085p1_pi_doner(77,0.1). 1086p1_polar(77,0.26). 1087p1_h_doner(77,0.1). 1088p1_h_acceptor(77,0.1). 1089p1_size(77,0.367). 1090p1_pi_acceptor(77,0.1). 1091p1_branch(77,0.1). 1092p1_sigma(77,0.1). 1093p1_polarisable(77,0.5). 1094p1_flex(78,0.5). 1095p1_pi_doner(78,0.1). 1096p1_polar(78,0.26). 1097p1_h_doner(78,0.1). 1098p1_h_acceptor(78,0.367). 1099p1_size(78,0.5). 1100p1_pi_acceptor(78,0.1). 1101p1_branch(78,0.5). 1102p1_sigma(78,0.1). 1103p1_polarisable(78,0.5). 1104p1_flex(79,0.367). 1105p1_pi_doner(79,0.1). 1106p1_polar(79,0.26). 1107p1_h_doner(79,0.1). 1108p1_h_acceptor(79,0.367). 1109p1_size(79,0.633). 1110p1_pi_acceptor(79,0.1). 1111p1_branch(79,0.9). 1112p1_sigma(79,0.1). 1113p1_polarisable(79,0.5). 1114p1_flex(80,0.633). 1115p1_pi_doner(80,0.1). 1116p1_polar(80,0.26). 1117p1_h_doner(80,0.1). 1118p1_h_acceptor(80,0.1). 1119p1_size(80,0.633). 1120p1_pi_acceptor(80,0.1). 1121p1_branch(80,0.1). 1122p1_sigma(80,0.1). 1123p1_polarisable(80,0.5). 1124p1_flex(81,0.633). 1125p1_pi_doner(81,0.1). 1126p1_polar(81,0.26). 1127p1_h_doner(81,0.1). 1128p1_h_acceptor(81,0.1). 1129p1_size(81,0.633). 1130p1_pi_acceptor(81,0.1). 1131p1_branch(81,0.1). 1132p1_sigma(81,0.1). 1133p1_polarisable(81,0.5). 1134p1_flex(82,0.633). 1135p1_pi_doner(82,0.1). 1136p1_polar(82,0.26). 1137p1_h_doner(82,0.1). 1138p1_h_acceptor(82,0.1). 1139p1_size(82,0.633). 1140p1_pi_acceptor(82,0.1). 1141p1_branch(82,0.1). 1142p1_sigma(82,0.1). 1143p1_polarisable(82,0.5). 1144p1_flex(83,0.633). 1145p1_pi_doner(83,0.1). 1146p1_polar(83,0.26). 1147p1_h_doner(83,0.1). 1148p1_h_acceptor(83,0.1). 1149p1_size(83,0.633). 1150p1_pi_acceptor(83,0.1). 1151p1_branch(83,0.1). 1152p1_sigma(83,0.1). 1153p1_polarisable(83,0.5). 1154p1_flex(84,0.633). 1155p1_pi_doner(84,0.1). 1156p1_polar(84,0.26). 1157p1_h_doner(84,0.1). 1158p1_h_acceptor(84,0.1). 1159p1_size(84,0.633). 1160p1_pi_acceptor(84,0.1). 1161p1_branch(84,0.1). 1162p1_sigma(84,0.1). 1163p1_polarisable(84,0.5). 1164p1_flex(85,0.633). 1165p1_pi_doner(85,0.1). 1166p1_polar(85,0.26). 1167p1_h_doner(85,0.1). 1168p1_h_acceptor(85,0.1). 1169p1_size(85,0.633). 1170p1_pi_acceptor(85,0.1). 1171p1_branch(85,0.1). 1172p1_sigma(85,0.1). 1173p1_polarisable(85,0.5). 1174p1_flex(86,0.633). 1175p1_pi_doner(86,0.1). 1176p1_polar(86,0.26). 1177p1_h_doner(86,0.1). 1178p1_h_acceptor(86,0.1). 1179p1_size(86,0.633). 1180p1_pi_acceptor(86,0.1). 1181p1_branch(86,0.1). 1182p1_sigma(86,0.1). 1183p1_polarisable(86,0.5). 1184p1_flex(87,0.633). 1185p1_pi_doner(87,0.1). 1186p1_polar(87,0.26). 1187p1_h_doner(87,0.1). 1188p1_h_acceptor(87,0.1). 1189p1_size(87,0.633). 1190p1_pi_acceptor(87,0.1). 1191p1_branch(87,0.1). 1192p1_sigma(87,0.1). 1193p1_polarisable(87,0.5). 1194p1_flex(88,0.767). 1195p1_pi_doner(88,0.1). 1196p1_polar(88,0.26). 1197p1_h_doner(88,0.1). 1198p1_h_acceptor(88,0.367). 1199p1_size(88,0.767). 1200p1_pi_acceptor(88,0.1). 1201p1_branch(88,0.5). 1202p1_sigma(88,0.1). 1203p1_polarisable(88,0.5). 1204p1_flex(89,0.9). 1205p1_pi_doner(89,0.1). 1206p1_polar(89,0.26). 1207p1_h_doner(89,0.1). 1208p1_h_acceptor(89,0.367). 1209p1_size(89,0.9). 1210p1_pi_acceptor(89,0.1). 1211p1_branch(89,0.1). 1212p1_sigma(89,0.1). 1213p1_polarisable(89,0.5). 1214p1_flex(90,0.1). 1215p1_pi_doner(90,0.1). 1216p1_polar(90,0.42). 1217p1_h_doner(90,0.1). 1218p1_h_acceptor(90,0.367). 1219p1_size(90,0.233). 1220p1_pi_acceptor(90,0.1). 1221p1_branch(90,0.1). 1222p1_sigma(90,0.367). 1223p1_polarisable(90,0.9). 1224p1_flex(91,0.1). 1225p1_pi_doner(91,0.1). 1226p1_polar(91,0.42). 1227p1_h_doner(91,0.1). 1228p1_h_acceptor(91,0.367). 1229p1_size(91,0.367). 1230p1_pi_acceptor(91,0.1). 1231p1_branch(91,0.1). 1232p1_sigma(91,0.367). 1233p1_polarisable(91,0.5). 1234p1_flex(92,0.1). 1235p1_pi_doner(92,0.5). 1236p1_polar(92,0.42). 1237p1_h_doner(92,0.5). 1238p1_h_acceptor(92,0.367). 1239p1_size(92,0.367). 1240p1_pi_acceptor(92,0.1). 1241p1_branch(92,0.9). 1242p1_sigma(92,0.367). 1243p1_polarisable(92,0.5). 1244p1_flex(93,0.1). 1245p1_pi_doner(93,0.5). 1246p1_polar(93,0.42). 1247p1_h_doner(93,0.5). 1248p1_h_acceptor(93,0.367). 1249p1_size(93,0.367). 1250p1_pi_acceptor(93,0.1). 1251p1_branch(93,0.9). 1252p1_sigma(93,0.367). 1253p1_polarisable(93,0.5). 1254p1_flex(94,0.367). 1255p1_pi_doner(94,0.1). 1256p1_polar(94,0.42). 1257p1_h_doner(94,0.1). 1258p1_h_acceptor(94,0.367). 1259p1_size(94,0.367). 1260p1_pi_acceptor(94,0.1). 1261p1_branch(94,0.1). 1262p1_sigma(94,0.1). 1263p1_polarisable(94,0.5). 1264p1_flex(95,0.233). 1265p1_pi_doner(95,0.5). 1266p1_polar(95,0.42). 1267p1_h_doner(95,0.5). 1268p1_h_acceptor(95,0.367). 1269p1_size(95,0.5). 1270p1_pi_acceptor(95,0.1). 1271p1_branch(95,0.5). 1272p1_sigma(95,0.367). 1273p1_polarisable(95,0.5). 1274p1_flex(96,0.233). 1275p1_pi_doner(96,0.5). 1276p1_polar(96,0.42). 1277p1_h_doner(96,0.5). 1278p1_h_acceptor(96,0.367). 1279p1_size(96,0.5). 1280p1_pi_acceptor(96,0.1). 1281p1_branch(96,0.5). 1282p1_sigma(96,0.367). 1283p1_polarisable(96,0.5). 1284p1_flex(97,0.367). 1285p1_pi_doner(97,0.5). 1286p1_polar(97,0.42). 1287p1_h_doner(97,0.5). 1288p1_h_acceptor(97,0.367). 1289p1_size(97,0.5). 1290p1_pi_acceptor(97,0.1). 1291p1_branch(97,0.5). 1292p1_sigma(97,0.367). 1293p1_polarisable(97,0.5). 1294p1_flex(98,0.367). 1295p1_pi_doner(98,0.5). 1296p1_polar(98,0.42). 1297p1_h_doner(98,0.5). 1298p1_h_acceptor(98,0.633). 1299p1_size(98,0.5). 1300p1_pi_acceptor(98,0.1). 1301p1_branch(98,0.5). 1302p1_sigma(98,0.367). 1303p1_polarisable(98,0.5). 1304p1_flex(99,0.367). 1305p1_pi_doner(99,0.5). 1306p1_polar(99,0.42). 1307p1_h_doner(99,0.5). 1308p1_h_acceptor(99,0.633). 1309p1_size(99,0.5). 1310p1_pi_acceptor(99,0.1). 1311p1_branch(99,0.5). 1312p1_sigma(99,0.367). 1313p1_polarisable(99,0.5). 1314p1_flex(100,0.5). 1315p1_pi_doner(100,0.1). 1316p1_polar(100,0.42). 1317p1_h_doner(100,0.1). 1318p1_h_acceptor(100,0.633). 1319p1_size(100,0.5). 1320p1_pi_acceptor(100,0.1). 1321p1_branch(100,0.1). 1322p1_sigma(100,0.367). 1323p1_polarisable(100,0.5). 1324p1_flex(101,0.5). 1325p1_pi_doner(101,0.1). 1326p1_polar(101,0.42). 1327p1_h_doner(101,0.1). 1328p1_h_acceptor(101,0.633). 1329p1_size(101,0.5). 1330p1_pi_acceptor(101,0.1). 1331p1_branch(101,0.1). 1332p1_sigma(101,0.367). 1333p1_polarisable(101,0.5). 1334p1_flex(102,0.5). 1335p1_pi_doner(102,0.1). 1336p1_polar(102,0.42). 1337p1_h_doner(102,0.1). 1338p1_h_acceptor(102,0.633). 1339p1_size(102,0.5). 1340p1_pi_acceptor(102,0.1). 1341p1_branch(102,0.1). 1342p1_sigma(102,0.367). 1343p1_polarisable(102,0.5). 1344p1_flex(103,0.5). 1345p1_pi_doner(103,0.1). 1346p1_polar(103,0.42). 1347p1_h_doner(103,0.1). 1348p1_h_acceptor(103,0.633). 1349p1_size(103,0.5). 1350p1_pi_acceptor(103,0.1). 1351p1_branch(103,0.1). 1352p1_sigma(103,0.367). 1353p1_polarisable(103,0.5). 1354p1_flex(104,0.633). 1355p1_pi_doner(104,0.1). 1356p1_polar(104,0.42). 1357p1_h_doner(104,0.1). 1358p1_h_acceptor(104,0.633). 1359p1_size(104,0.5). 1360p1_pi_acceptor(104,0.1). 1361p1_branch(104,0.1). 1362p1_sigma(104,0.367). 1363p1_polarisable(104,0.5). 1364p1_flex(105,0.633). 1365p1_pi_doner(105,0.1). 1366p1_polar(105,0.42). 1367p1_h_doner(105,0.1). 1368p1_h_acceptor(105,0.633). 1369p1_size(105,0.5). 1370p1_pi_acceptor(105,0.1). 1371p1_branch(105,0.1). 1372p1_sigma(105,0.367). 1373p1_polarisable(105,0.5). 1374p1_flex(106,0.633). 1375p1_pi_doner(106,0.1). 1376p1_polar(106,0.42). 1377p1_h_doner(106,0.1). 1378p1_h_acceptor(106,0.633). 1379p1_size(106,0.5). 1380p1_pi_acceptor(106,0.1). 1381p1_branch(106,0.1). 1382p1_sigma(106,0.367). 1383p1_polarisable(106,0.5). 1384p1_flex(107,0.633). 1385p1_pi_doner(107,0.1). 1386p1_polar(107,0.42). 1387p1_h_doner(107,0.1). 1388p1_h_acceptor(107,0.633). 1389p1_size(107,0.5). 1390p1_pi_acceptor(107,0.1). 1391p1_branch(107,0.1). 1392p1_sigma(107,0.367). 1393p1_polarisable(107,0.5). 1394p1_flex(108,0.233). 1395p1_pi_doner(108,0.1). 1396p1_polar(108,0.42). 1397p1_h_doner(108,0.1). 1398p1_h_acceptor(108,0.633). 1399p1_size(108,0.633). 1400p1_pi_acceptor(108,0.1). 1401p1_branch(108,0.5). 1402p1_sigma(108,0.367). 1403p1_polarisable(108,0.1). 1404p1_flex(109,0.233). 1405p1_pi_doner(109,0.9). 1406p1_polar(109,0.42). 1407p1_h_doner(109,0.9). 1408p1_h_acceptor(109,0.633). 1409p1_size(109,0.633). 1410p1_pi_acceptor(109,0.1). 1411p1_branch(109,0.5). 1412p1_sigma(109,0.367). 1413p1_polarisable(109,0.5). 1414p1_flex(110,0.233). 1415p1_pi_doner(110,0.9). 1416p1_polar(110,0.42). 1417p1_h_doner(110,0.9). 1418p1_h_acceptor(110,0.633). 1419p1_size(110,0.633). 1420p1_pi_acceptor(110,0.1). 1421p1_branch(110,0.5). 1422p1_sigma(110,0.367). 1423p1_polarisable(110,0.5). 1424p1_flex(111,0.233). 1425p1_pi_doner(111,0.9). 1426p1_polar(111,0.42). 1427p1_h_doner(111,0.9). 1428p1_h_acceptor(111,0.633). 1429p1_size(111,0.633). 1430p1_pi_acceptor(111,0.1). 1431p1_branch(111,0.5). 1432p1_sigma(111,0.367). 1433p1_polarisable(111,0.5). 1434p1_flex(112,0.233). 1435p1_pi_doner(112,0.9). 1436p1_polar(112,0.42). 1437p1_h_doner(112,0.9). 1438p1_h_acceptor(112,0.633). 1439p1_size(112,0.633). 1440p1_pi_acceptor(112,0.1). 1441p1_branch(112,0.5). 1442p1_sigma(112,0.367). 1443p1_polarisable(112,0.5). 1444p1_flex(113,0.233). 1445p1_pi_doner(113,0.9). 1446p1_polar(113,0.42). 1447p1_h_doner(113,0.9). 1448p1_h_acceptor(113,0.633). 1449p1_size(113,0.633). 1450p1_pi_acceptor(113,0.1). 1451p1_branch(113,0.5). 1452p1_sigma(113,0.367). 1453p1_polarisable(113,0.5). 1454p1_flex(114,0.233). 1455p1_pi_doner(114,0.9). 1456p1_polar(114,0.42). 1457p1_h_doner(114,0.9). 1458p1_h_acceptor(114,0.633). 1459p1_size(114,0.633). 1460p1_pi_acceptor(114,0.1). 1461p1_branch(114,0.5). 1462p1_sigma(114,0.367). 1463p1_polarisable(114,0.5). 1464p1_flex(115,0.5). 1465p1_pi_doner(115,0.5). 1466p1_polar(115,0.42). 1467p1_h_doner(115,0.5). 1468p1_h_acceptor(115,0.367). 1469p1_size(115,0.633). 1470p1_pi_acceptor(115,0.1). 1471p1_branch(115,0.5). 1472p1_sigma(115,0.1). 1473p1_polarisable(115,0.5). 1474p1_flex(116,0.633). 1475p1_pi_doner(116,0.1). 1476p1_polar(116,0.42). 1477p1_h_doner(116,0.1). 1478p1_h_acceptor(116,0.367). 1479p1_size(116,0.633). 1480p1_pi_acceptor(116,0.1). 1481p1_branch(116,0.1). 1482p1_sigma(116,0.367). 1483p1_polarisable(116,0.5). 1484p1_flex(117,0.767). 1485p1_pi_doner(117,0.1). 1486p1_polar(117,0.42). 1487p1_h_doner(117,0.1). 1488p1_h_acceptor(117,0.633). 1489p1_size(117,0.633). 1490p1_pi_acceptor(117,0.1). 1491p1_branch(117,0.1). 1492p1_sigma(117,0.367). 1493p1_polarisable(117,0.5). 1494p1_flex(118,0.767). 1495p1_pi_doner(118,0.1). 1496p1_polar(118,0.42). 1497p1_h_doner(118,0.1). 1498p1_h_acceptor(118,0.633). 1499p1_size(118,0.633). 1500p1_pi_acceptor(118,0.1). 1501p1_branch(118,0.1). 1502p1_sigma(118,0.367). 1503p1_polarisable(118,0.5). 1504p1_flex(119,0.233). 1505p1_pi_doner(119,0.5). 1506p1_polar(119,0.42). 1507p1_h_doner(119,0.5). 1508p1_h_acceptor(119,0.9). 1509p1_size(119,0.767). 1510p1_pi_acceptor(119,0.1). 1511p1_branch(119,0.9). 1512p1_sigma(119,0.1). 1513p1_polarisable(119,0.5). 1514p1_flex(120,0.367). 1515p1_pi_doner(120,0.1). 1516p1_polar(120,0.42). 1517p1_h_doner(120,0.1). 1518p1_h_acceptor(120,0.367). 1519p1_size(120,0.767). 1520p1_pi_acceptor(120,0.1). 1521p1_branch(120,0.9). 1522p1_sigma(120,0.1). 1523p1_polarisable(120,0.5). 1524p1_flex(121,0.367). 1525p1_pi_doner(121,0.1). 1526p1_polar(121,0.42). 1527p1_h_doner(121,0.1). 1528p1_h_acceptor(121,0.9). 1529p1_size(121,0.767). 1530p1_pi_acceptor(121,0.1). 1531p1_branch(121,0.9). 1532p1_sigma(121,0.367). 1533p1_polarisable(121,0.1). 1534p1_flex(122,0.5). 1535p1_pi_doner(122,0.5). 1536p1_polar(122,0.42). 1537p1_h_doner(122,0.5). 1538p1_h_acceptor(122,0.633). 1539p1_size(122,0.767). 1540p1_pi_acceptor(122,0.1). 1541p1_branch(122,0.9). 1542p1_sigma(122,0.1). 1543p1_polarisable(122,0.5). 1544p1_flex(123,0.9). 1545p1_pi_doner(123,0.1). 1546p1_polar(123,0.42). 1547p1_h_doner(123,0.1). 1548p1_h_acceptor(123,0.633). 1549p1_size(123,0.767). 1550p1_pi_acceptor(123,0.1). 1551p1_branch(123,0.1). 1552p1_sigma(123,0.367). 1553p1_polarisable(123,0.5). 1554p1_flex(124,0.233). 1555p1_pi_doner(124,0.1). 1556p1_polar(124,0.42). 1557p1_h_doner(124,0.1). 1558p1_h_acceptor(124,0.633). 1559p1_size(124,0.9). 1560p1_pi_acceptor(124,0.1). 1561p1_branch(124,0.5). 1562p1_sigma(124,0.367). 1563p1_polarisable(124,0.1). 1564p1_flex(125,0.1). 1565p1_pi_doner(125,0.1). 1566p1_polar(125,0.58). 1567p1_h_doner(125,0.1). 1568p1_h_acceptor(125,0.1). 1569p1_size(125,0.233). 1570p1_pi_acceptor(125,0.5). 1571p1_branch(125,0.5). 1572p1_sigma(125,0.9). 1573p1_polarisable(125,0.1). 1574p1_flex(126,0.1). 1575p1_pi_doner(126,0.1). 1576p1_polar(126,0.58). 1577p1_h_doner(126,0.1). 1578p1_h_acceptor(126,0.1). 1579p1_size(126,0.233). 1580p1_pi_acceptor(126,0.1). 1581p1_branch(126,0.1). 1582p1_sigma(126,0.9). 1583p1_polarisable(126,0.5). 1584p1_flex(127,0.1). 1585p1_pi_doner(127,0.1). 1586p1_polar(127,0.58). 1587p1_h_doner(127,0.1). 1588p1_h_acceptor(127,0.1). 1589p1_size(127,0.233). 1590p1_pi_acceptor(127,0.1). 1591p1_branch(127,0.1). 1592p1_sigma(127,0.9). 1593p1_polarisable(127,0.5). 1594p1_flex(128,0.1). 1595p1_pi_doner(128,0.1). 1596p1_polar(128,0.58). 1597p1_h_doner(128,0.1). 1598p1_h_acceptor(128,0.1). 1599p1_size(128,0.233). 1600p1_pi_acceptor(128,0.1). 1601p1_branch(128,0.1). 1602p1_sigma(128,0.9). 1603p1_polarisable(128,0.5). 1604p1_flex(129,0.1). 1605p1_pi_doner(129,0.1). 1606p1_polar(129,0.58). 1607p1_h_doner(129,0.1). 1608p1_h_acceptor(129,0.1). 1609p1_size(129,0.233). 1610p1_pi_acceptor(129,0.1). 1611p1_branch(129,0.1). 1612p1_sigma(129,0.9). 1613p1_polarisable(129,0.5). 1614p1_flex(130,0.1). 1615p1_pi_doner(130,0.1). 1616p1_polar(130,0.58). 1617p1_h_doner(130,0.1). 1618p1_h_acceptor(130,0.1). 1619p1_size(130,0.233). 1620p1_pi_acceptor(130,0.1). 1621p1_branch(130,0.1). 1622p1_sigma(130,0.9). 1623p1_polarisable(130,0.5). 1624p1_flex(131,0.1). 1625p1_pi_doner(131,0.1). 1626p1_polar(131,0.58). 1627p1_h_doner(131,0.1). 1628p1_h_acceptor(131,0.1). 1629p1_size(131,0.233). 1630p1_pi_acceptor(131,0.1). 1631p1_branch(131,0.1). 1632p1_sigma(131,0.9). 1633p1_polarisable(131,0.5). 1634p1_flex(132,0.1). 1635p1_pi_doner(132,0.1). 1636p1_polar(132,0.58). 1637p1_h_doner(132,0.1). 1638p1_h_acceptor(132,0.1). 1639p1_size(132,0.233). 1640p1_pi_acceptor(132,0.1). 1641p1_branch(132,0.1). 1642p1_sigma(132,0.9). 1643p1_polarisable(132,0.5). 1644p1_flex(133,0.1). 1645p1_pi_doner(133,0.1). 1646p1_polar(133,0.58). 1647p1_h_doner(133,0.1). 1648p1_h_acceptor(133,0.1). 1649p1_size(133,0.233). 1650p1_pi_acceptor(133,0.1). 1651p1_branch(133,0.1). 1652p1_sigma(133,0.9). 1653p1_polarisable(133,0.5). 1654p1_flex(134,0.1). 1655p1_pi_doner(134,0.1). 1656p1_polar(134,0.58). 1657p1_h_doner(134,0.1). 1658p1_h_acceptor(134,0.1). 1659p1_size(134,0.233). 1660p1_pi_acceptor(134,0.1). 1661p1_branch(134,0.1). 1662p1_sigma(134,0.9). 1663p1_polarisable(134,0.5). 1664p1_flex(135,0.1). 1665p1_pi_doner(135,0.1). 1666p1_polar(135,0.58). 1667p1_h_doner(135,0.1). 1668p1_h_acceptor(135,0.1). 1669p1_size(135,0.233). 1670p1_pi_acceptor(135,0.1). 1671p1_branch(135,0.1). 1672p1_sigma(135,0.9). 1673p1_polarisable(135,0.5). 1674p1_flex(136,0.1). 1675p1_pi_doner(136,0.1). 1676p1_polar(136,0.58). 1677p1_h_doner(136,0.1). 1678p1_h_acceptor(136,0.1). 1679p1_size(136,0.233). 1680p1_pi_acceptor(136,0.1). 1681p1_branch(136,0.1). 1682p1_sigma(136,0.9). 1683p1_polarisable(136,0.5). 1684p1_flex(137,0.1). 1685p1_pi_doner(137,0.1). 1686p1_polar(137,0.58). 1687p1_h_doner(137,0.1). 1688p1_h_acceptor(137,0.1). 1689p1_size(137,0.233). 1690p1_pi_acceptor(137,0.1). 1691p1_branch(137,0.1). 1692p1_sigma(137,0.9). 1693p1_polarisable(137,0.5). 1694p1_flex(138,0.1). 1695p1_pi_doner(138,0.1). 1696p1_polar(138,0.58). 1697p1_h_doner(138,0.1). 1698p1_h_acceptor(138,0.1). 1699p1_size(138,0.233). 1700p1_pi_acceptor(138,0.1). 1701p1_branch(138,0.1). 1702p1_sigma(138,0.9). 1703p1_polarisable(138,0.5). 1704p1_flex(139,0.1). 1705p1_pi_doner(139,0.1). 1706p1_polar(139,0.58). 1707p1_h_doner(139,0.1). 1708p1_h_acceptor(139,0.1). 1709p1_size(139,0.233). 1710p1_pi_acceptor(139,0.1). 1711p1_branch(139,0.1). 1712p1_sigma(139,0.9). 1713p1_polarisable(139,0.5). 1714p1_flex(140,0.1). 1715p1_pi_doner(140,0.1). 1716p1_polar(140,0.58). 1717p1_h_doner(140,0.1). 1718p1_h_acceptor(140,0.1). 1719p1_size(140,0.233). 1720p1_pi_acceptor(140,0.1). 1721p1_branch(140,0.1). 1722p1_sigma(140,0.9). 1723p1_polarisable(140,0.5). 1724p1_flex(141,0.1). 1725p1_pi_doner(141,0.1). 1726p1_polar(141,0.58). 1727p1_h_doner(141,0.1). 1728p1_h_acceptor(141,0.1). 1729p1_size(141,0.233). 1730p1_pi_acceptor(141,0.1). 1731p1_branch(141,0.1). 1732p1_sigma(141,0.9). 1733p1_polarisable(141,0.5). 1734p1_flex(142,0.1). 1735p1_pi_doner(142,0.1). 1736p1_polar(142,0.58). 1737p1_h_doner(142,0.1). 1738p1_h_acceptor(142,0.1). 1739p1_size(142,0.233). 1740p1_pi_acceptor(142,0.1). 1741p1_branch(142,0.1). 1742p1_sigma(142,0.9). 1743p1_polarisable(142,0.5). 1744p1_flex(143,0.1). 1745p1_pi_doner(143,0.1). 1746p1_polar(143,0.58). 1747p1_h_doner(143,0.1). 1748p1_h_acceptor(143,0.1). 1749p1_size(143,0.233). 1750p1_pi_acceptor(143,0.1). 1751p1_branch(143,0.1). 1752p1_sigma(143,0.9). 1753p1_polarisable(143,0.5). 1754p1_flex(144,0.1). 1755p1_pi_doner(144,0.1). 1756p1_polar(144,0.58). 1757p1_h_doner(144,0.1). 1758p1_h_acceptor(144,0.1). 1759p1_size(144,0.233). 1760p1_pi_acceptor(144,0.1). 1761p1_branch(144,0.1). 1762p1_sigma(144,0.9). 1763p1_polarisable(144,0.5). 1764p1_flex(145,0.1). 1765p1_pi_doner(145,0.1). 1766p1_polar(145,0.58). 1767p1_h_doner(145,0.1). 1768p1_h_acceptor(145,0.1). 1769p1_size(145,0.233). 1770p1_pi_acceptor(145,0.1). 1771p1_branch(145,0.1). 1772p1_sigma(145,0.9). 1773p1_polarisable(145,0.5). 1774p1_flex(146,0.1). 1775p1_pi_doner(146,0.1). 1776p1_polar(146,0.58). 1777p1_h_doner(146,0.1). 1778p1_h_acceptor(146,0.1). 1779p1_size(146,0.233). 1780p1_pi_acceptor(146,0.1). 1781p1_branch(146,0.1). 1782p1_sigma(146,0.9). 1783p1_polarisable(146,0.5). 1784p1_flex(147,0.1). 1785p1_pi_doner(147,0.1). 1786p1_polar(147,0.58). 1787p1_h_doner(147,0.1). 1788p1_h_acceptor(147,0.1). 1789p1_size(147,0.233). 1790p1_pi_acceptor(147,0.1). 1791p1_branch(147,0.1). 1792p1_sigma(147,0.9). 1793p1_polarisable(147,0.5). 1794p1_flex(148,0.1). 1795p1_pi_doner(148,0.1). 1796p1_polar(148,0.58). 1797p1_h_doner(148,0.1). 1798p1_h_acceptor(148,0.1). 1799p1_size(148,0.233). 1800p1_pi_acceptor(148,0.1). 1801p1_branch(148,0.1). 1802p1_sigma(148,0.9). 1803p1_polarisable(148,0.5). 1804p1_flex(149,0.1). 1805p1_pi_doner(149,0.1). 1806p1_polar(149,0.58). 1807p1_h_doner(149,0.1). 1808p1_h_acceptor(149,0.1). 1809p1_size(149,0.233). 1810p1_pi_acceptor(149,0.1). 1811p1_branch(149,0.1). 1812p1_sigma(149,0.9). 1813p1_polarisable(149,0.5). 1814p1_flex(150,0.1). 1815p1_pi_doner(150,0.1). 1816p1_polar(150,0.58). 1817p1_h_doner(150,0.1). 1818p1_h_acceptor(150,0.1). 1819p1_size(150,0.233). 1820p1_pi_acceptor(150,0.1). 1821p1_branch(150,0.1). 1822p1_sigma(150,0.9). 1823p1_polarisable(150,0.5). 1824p1_flex(151,0.1). 1825p1_pi_doner(151,0.1). 1826p1_polar(151,0.58). 1827p1_h_doner(151,0.1). 1828p1_h_acceptor(151,0.1). 1829p1_size(151,0.233). 1830p1_pi_acceptor(151,0.1). 1831p1_branch(151,0.1). 1832p1_sigma(151,0.9). 1833p1_polarisable(151,0.5). 1834p1_flex(152,0.1). 1835p1_pi_doner(152,0.1). 1836p1_polar(152,0.58). 1837p1_h_doner(152,0.1). 1838p1_h_acceptor(152,0.1). 1839p1_size(152,0.233). 1840p1_pi_acceptor(152,0.1). 1841p1_branch(152,0.1). 1842p1_sigma(152,0.9). 1843p1_polarisable(152,0.5). 1844p1_flex(153,0.1). 1845p1_pi_doner(153,0.1). 1846p1_polar(153,0.58). 1847p1_h_doner(153,0.1). 1848p1_h_acceptor(153,0.1). 1849p1_size(153,0.233). 1850p1_pi_acceptor(153,0.1). 1851p1_branch(153,0.1). 1852p1_sigma(153,0.9). 1853p1_polarisable(153,0.5). 1854p1_flex(154,0.1). 1855p1_pi_doner(154,0.1). 1856p1_polar(154,0.58). 1857p1_h_doner(154,0.1). 1858p1_h_acceptor(154,0.1). 1859p1_size(154,0.233). 1860p1_pi_acceptor(154,0.1). 1861p1_branch(154,0.1). 1862p1_sigma(154,0.9). 1863p1_polarisable(154,0.5). 1864p1_flex(155,0.1). 1865p1_pi_doner(155,0.1). 1866p1_polar(155,0.58). 1867p1_h_doner(155,0.1). 1868p1_h_acceptor(155,0.1). 1869p1_size(155,0.233). 1870p1_pi_acceptor(155,0.1). 1871p1_branch(155,0.1). 1872p1_sigma(155,0.9). 1873p1_polarisable(155,0.5). 1874p1_flex(156,0.1). 1875p1_pi_doner(156,0.1). 1876p1_polar(156,0.58). 1877p1_h_doner(156,0.1). 1878p1_h_acceptor(156,0.1). 1879p1_size(156,0.233). 1880p1_pi_acceptor(156,0.1). 1881p1_branch(156,0.1). 1882p1_sigma(156,0.9). 1883p1_polarisable(156,0.5). 1884p1_flex(157,0.1). 1885p1_pi_doner(157,0.1). 1886p1_polar(157,0.58). 1887p1_h_doner(157,0.1). 1888p1_h_acceptor(157,0.1). 1889p1_size(157,0.233). 1890p1_pi_acceptor(157,0.1). 1891p1_branch(157,0.1). 1892p1_sigma(157,0.9). 1893p1_polarisable(157,0.5). 1894p1_flex(158,0.1). 1895p1_pi_doner(158,0.1). 1896p1_polar(158,0.58). 1897p1_h_doner(158,0.1). 1898p1_h_acceptor(158,0.1). 1899p1_size(158,0.233). 1900p1_pi_acceptor(158,0.1). 1901p1_branch(158,0.1). 1902p1_sigma(158,0.9). 1903p1_polarisable(158,0.5). 1904p1_flex(159,0.1). 1905p1_pi_doner(159,0.1). 1906p1_polar(159,0.58). 1907p1_h_doner(159,0.1). 1908p1_h_acceptor(159,0.1). 1909p1_size(159,0.233). 1910p1_pi_acceptor(159,0.1). 1911p1_branch(159,0.1). 1912p1_sigma(159,0.9). 1913p1_polarisable(159,0.5). 1914p1_flex(160,0.1). 1915p1_pi_doner(160,0.1). 1916p1_polar(160,0.58). 1917p1_h_doner(160,0.1). 1918p1_h_acceptor(160,0.1). 1919p1_size(160,0.233). 1920p1_pi_acceptor(160,0.1). 1921p1_branch(160,0.1). 1922p1_sigma(160,0.9). 1923p1_polarisable(160,0.5). 1924p1_flex(161,0.1). 1925p1_pi_doner(161,0.1). 1926p1_polar(161,0.58). 1927p1_h_doner(161,0.1). 1928p1_h_acceptor(161,0.1). 1929p1_size(161,0.233). 1930p1_pi_acceptor(161,0.1). 1931p1_branch(161,0.1). 1932p1_sigma(161,0.9). 1933p1_polarisable(161,0.5). 1934p1_flex(162,0.1). 1935p1_pi_doner(162,0.1). 1936p1_polar(162,0.58). 1937p1_h_doner(162,0.1). 1938p1_h_acceptor(162,0.1). 1939p1_size(162,0.233). 1940p1_pi_acceptor(162,0.1). 1941p1_branch(162,0.1). 1942p1_sigma(162,0.9). 1943p1_polarisable(162,0.5). 1944p1_flex(163,0.1). 1945p1_pi_doner(163,0.1). 1946p1_polar(163,0.58). 1947p1_h_doner(163,0.1). 1948p1_h_acceptor(163,0.1). 1949p1_size(163,0.233). 1950p1_pi_acceptor(163,0.1). 1951p1_branch(163,0.1). 1952p1_sigma(163,0.9). 1953p1_polarisable(163,0.5). 1954p1_flex(164,0.1). 1955p1_pi_doner(164,0.1). 1956p1_polar(164,0.58). 1957p1_h_doner(164,0.1). 1958p1_h_acceptor(164,0.1). 1959p1_size(164,0.233). 1960p1_pi_acceptor(164,0.1). 1961p1_branch(164,0.1). 1962p1_sigma(164,0.9). 1963p1_polarisable(164,0.5). 1964p1_flex(165,0.1). 1965p1_pi_doner(165,0.1). 1966p1_polar(165,0.58). 1967p1_h_doner(165,0.1). 1968p1_h_acceptor(165,0.1). 1969p1_size(165,0.233). 1970p1_pi_acceptor(165,0.1). 1971p1_branch(165,0.1). 1972p1_sigma(165,0.9). 1973p1_polarisable(165,0.5). 1974p1_flex(166,0.1). 1975p1_pi_doner(166,0.1). 1976p1_polar(166,0.58). 1977p1_h_doner(166,0.1). 1978p1_h_acceptor(166,0.1). 1979p1_size(166,0.233). 1980p1_pi_acceptor(166,0.1). 1981p1_branch(166,0.1). 1982p1_sigma(166,0.9). 1983p1_polarisable(166,0.5). 1984p1_flex(167,0.1). 1985p1_pi_doner(167,0.1). 1986p1_polar(167,0.58). 1987p1_h_doner(167,0.1). 1988p1_h_acceptor(167,0.1). 1989p1_size(167,0.233). 1990p1_pi_acceptor(167,0.1). 1991p1_branch(167,0.1). 1992p1_sigma(167,0.9). 1993p1_polarisable(167,0.5). 1994p1_flex(168,0.1). 1995p1_pi_doner(168,0.1). 1996p1_polar(168,0.58). 1997p1_h_doner(168,0.1). 1998p1_h_acceptor(168,0.1). 1999p1_size(168,0.233). 2000p1_pi_acceptor(168,0.1). 2001p1_branch(168,0.1). 2002p1_sigma(168,0.9). 2003p1_polarisable(168,0.5). 2004p1_flex(169,0.1). 2005p1_pi_doner(169,0.1). 2006p1_polar(169,0.58). 2007p1_h_doner(169,0.1). 2008p1_h_acceptor(169,0.1). 2009p1_size(169,0.233). 2010p1_pi_acceptor(169,0.1). 2011p1_branch(169,0.1). 2012p1_sigma(169,0.9). 2013p1_polarisable(169,0.5). 2014p1_flex(170,0.1). 2015p1_pi_doner(170,0.1). 2016p1_polar(170,0.58). 2017p1_h_doner(170,0.1). 2018p1_h_acceptor(170,0.1). 2019p1_size(170,0.233). 2020p1_pi_acceptor(170,0.1). 2021p1_branch(170,0.1). 2022p1_sigma(170,0.9). 2023p1_polarisable(170,0.5). 2024p1_flex(171,0.1). 2025p1_pi_doner(171,0.1). 2026p1_polar(171,0.58). 2027p1_h_doner(171,0.1). 2028p1_h_acceptor(171,0.1). 2029p1_size(171,0.233). 2030p1_pi_acceptor(171,0.1). 2031p1_branch(171,0.1). 2032p1_sigma(171,0.9). 2033p1_polarisable(171,0.5). 2034p1_flex(172,0.1). 2035p1_pi_doner(172,0.1). 2036p1_polar(172,0.58). 2037p1_h_doner(172,0.1). 2038p1_h_acceptor(172,0.1). 2039p1_size(172,0.233). 2040p1_pi_acceptor(172,0.1). 2041p1_branch(172,0.1). 2042p1_sigma(172,0.9). 2043p1_polarisable(172,0.5). 2044p1_flex(173,0.1). 2045p1_pi_doner(173,0.1). 2046p1_polar(173,0.58). 2047p1_h_doner(173,0.1). 2048p1_h_acceptor(173,0.1). 2049p1_size(173,0.233). 2050p1_pi_acceptor(173,0.1). 2051p1_branch(173,0.1). 2052p1_sigma(173,0.9). 2053p1_polarisable(173,0.5). 2054p1_flex(174,0.1). 2055p1_pi_doner(174,0.1). 2056p1_polar(174,0.58). 2057p1_h_doner(174,0.1). 2058p1_h_acceptor(174,0.1). 2059p1_size(174,0.233). 2060p1_pi_acceptor(174,0.1). 2061p1_branch(174,0.1). 2062p1_sigma(174,0.9). 2063p1_polarisable(174,0.5). 2064p1_flex(175,0.1). 2065p1_pi_doner(175,0.1). 2066p1_polar(175,0.58). 2067p1_h_doner(175,0.1). 2068p1_h_acceptor(175,0.1). 2069p1_size(175,0.233). 2070p1_pi_acceptor(175,0.1). 2071p1_branch(175,0.1). 2072p1_sigma(175,0.9). 2073p1_polarisable(175,0.5). 2074p1_flex(176,0.1). 2075p1_pi_doner(176,0.1). 2076p1_polar(176,0.58). 2077p1_h_doner(176,0.1). 2078p1_h_acceptor(176,0.1). 2079p1_size(176,0.233). 2080p1_pi_acceptor(176,0.1). 2081p1_branch(176,0.1). 2082p1_sigma(176,0.9). 2083p1_polarisable(176,0.5). 2084p1_flex(177,0.1). 2085p1_pi_doner(177,0.1). 2086p1_polar(177,0.58). 2087p1_h_doner(177,0.1). 2088p1_h_acceptor(177,0.1). 2089p1_size(177,0.233). 2090p1_pi_acceptor(177,0.1). 2091p1_branch(177,0.1). 2092p1_sigma(177,0.9). 2093p1_polarisable(177,0.5). 2094p1_flex(178,0.1). 2095p1_pi_doner(178,0.1). 2096p1_polar(178,0.58). 2097p1_h_doner(178,0.1). 2098p1_h_acceptor(178,0.1). 2099p1_size(178,0.233). 2100p1_pi_acceptor(178,0.1). 2101p1_branch(178,0.1). 2102p1_sigma(178,0.9). 2103p1_polarisable(178,0.5). 2104p1_flex(179,0.1). 2105p1_pi_doner(179,0.1). 2106p1_polar(179,0.58). 2107p1_h_doner(179,0.1). 2108p1_h_acceptor(179,0.1). 2109p1_size(179,0.233). 2110p1_pi_acceptor(179,0.1). 2111p1_branch(179,0.1). 2112p1_sigma(179,0.9). 2113p1_polarisable(179,0.5). 2114p1_flex(180,0.1). 2115p1_pi_doner(180,0.1). 2116p1_polar(180,0.58). 2117p1_h_doner(180,0.1). 2118p1_h_acceptor(180,0.1). 2119p1_size(180,0.233). 2120p1_pi_acceptor(180,0.1). 2121p1_branch(180,0.1). 2122p1_sigma(180,0.9). 2123p1_polarisable(180,0.5). 2124p1_flex(181,0.1). 2125p1_pi_doner(181,0.1). 2126p1_polar(181,0.58). 2127p1_h_doner(181,0.1). 2128p1_h_acceptor(181,0.1). 2129p1_size(181,0.233). 2130p1_pi_acceptor(181,0.1). 2131p1_branch(181,0.1). 2132p1_sigma(181,0.9). 2133p1_polarisable(181,0.5). 2134p1_flex(182,0.1). 2135p1_pi_doner(182,0.1). 2136p1_polar(182,0.58). 2137p1_h_doner(182,0.1). 2138p1_h_acceptor(182,0.1). 2139p1_size(182,0.233). 2140p1_pi_acceptor(182,0.1). 2141p1_branch(182,0.1). 2142p1_sigma(182,0.633). 2143p1_polarisable(182,0.9). 2144p1_flex(183,0.233). 2145p1_pi_doner(183,0.1). 2146p1_polar(183,0.58). 2147p1_h_doner(183,0.1). 2148p1_h_acceptor(183,0.367). 2149p1_size(183,0.367). 2150p1_pi_acceptor(183,0.5). 2151p1_branch(183,0.5). 2152p1_sigma(183,0.1). 2153p1_polarisable(183,0.5). 2154p1_flex(184,0.233). 2155p1_pi_doner(184,0.5). 2156p1_polar(184,0.58). 2157p1_h_doner(184,0.5). 2158p1_h_acceptor(184,0.367). 2159p1_size(184,0.367). 2160p1_pi_acceptor(184,0.5). 2161p1_branch(184,0.5). 2162p1_sigma(184,0.1). 2163p1_polarisable(184,0.5). 2164p1_flex(185,0.1). 2165p1_pi_doner(185,0.1). 2166p1_polar(185,0.74). 2167p1_h_doner(185,0.1). 2168p1_h_acceptor(185,0.1). 2169p1_size(185,0.367). 2170p1_pi_acceptor(185,0.5). 2171p1_branch(185,0.9). 2172p1_sigma(185,0.633). 2173p1_polarisable(185,0.9). 2174p1_flex(186,0.1). 2175p1_pi_doner(186,0.1). 2176p1_polar(186,0.9). 2177p1_h_doner(186,0.1). 2178p1_h_acceptor(186,0.1). 2179p1_size(186,0.367). 2180p1_pi_acceptor(186,0.9). 2181p1_branch(186,0.5). 2182p1_sigma(186,0.9). 2183p1_polarisable(186,0.1). 2184p2_flex(1,0.1). 2185p2_pi_doner(1,0.1). 2186p2_polar(1,0.1). 2187p2_h_doner(1,0.1). 2188p2_h_acceptor(1,0.1). 2189p2_size(1,0.1). 2190p2_pi_acceptor(1,0.1). 2191p2_branch(1,0.1). 2192p2_sigma(1,0.1). 2193p2_polarisable(1,0.1). 2194p2_flex(2,0.1). 2195p2_pi_doner(2,0.1). 2196p2_polar(2,0.1). 2197p2_h_doner(2,0.1). 2198p2_h_acceptor(2,0.1). 2199p2_size(2,0.1). 2200p2_pi_acceptor(2,0.1). 2201p2_branch(2,0.1). 2202p2_sigma(2,0.1). 2203p2_polarisable(2,0.1). 2204p2_flex(3,0.1). 2205p2_pi_doner(3,0.1). 2206p2_polar(3,0.1). 2207p2_h_doner(3,0.1). 2208p2_h_acceptor(3,0.1). 2209p2_size(3,0.1). 2210p2_pi_acceptor(3,0.1). 2211p2_branch(3,0.1). 2212p2_sigma(3,0.1). 2213p2_polarisable(3,0.1). 2214p2_flex(4,0.1). 2215p2_pi_doner(4,0.1). 2216p2_polar(4,0.1). 2217p2_h_doner(4,0.1). 2218p2_h_acceptor(4,0.1). 2219p2_size(4,0.1). 2220p2_pi_acceptor(4,0.1). 2221p2_branch(4,0.1). 2222p2_sigma(4,0.1). 2223p2_polarisable(4,0.1). 2224p2_flex(5,0.1). 2225p2_pi_doner(5,0.1). 2226p2_polar(5,0.1). 2227p2_h_doner(5,0.1). 2228p2_h_acceptor(5,0.1). 2229p2_size(5,0.1). 2230p2_pi_acceptor(5,0.1). 2231p2_branch(5,0.1). 2232p2_sigma(5,0.1). 2233p2_polarisable(5,0.1). 2234p2_flex(6,0.1). 2235p2_pi_doner(6,0.1). 2236p2_polar(6,0.1). 2237p2_h_doner(6,0.1). 2238p2_h_acceptor(6,0.1). 2239p2_size(6,0.1). 2240p2_pi_acceptor(6,0.1). 2241p2_branch(6,0.1). 2242p2_sigma(6,0.1). 2243p2_polarisable(6,0.1). 2244p2_flex(7,0.1). 2245p2_pi_doner(7,0.1). 2246p2_polar(7,0.1). 2247p2_h_doner(7,0.1). 2248p2_h_acceptor(7,0.1). 2249p2_size(7,0.1). 2250p2_pi_acceptor(7,0.1). 2251p2_branch(7,0.1). 2252p2_sigma(7,0.1). 2253p2_polarisable(7,0.1). 2254p2_flex(8,0.1). 2255p2_pi_doner(8,0.1). 2256p2_polar(8,0.1). 2257p2_h_doner(8,0.1). 2258p2_h_acceptor(8,0.1). 2259p2_size(8,0.1). 2260p2_pi_acceptor(8,0.1). 2261p2_branch(8,0.1). 2262p2_sigma(8,0.1). 2263p2_polarisable(8,0.1). 2264p2_flex(9,0.1). 2265p2_pi_doner(9,0.1). 2266p2_polar(9,0.1). 2267p2_h_doner(9,0.1). 2268p2_h_acceptor(9,0.1). 2269p2_size(9,0.1). 2270p2_pi_acceptor(9,0.1). 2271p2_branch(9,0.1). 2272p2_sigma(9,0.1). 2273p2_polarisable(9,0.1). 2274p2_flex(10,0.1). 2275p2_pi_doner(10,0.1). 2276p2_polar(10,0.1). 2277p2_h_doner(10,0.1). 2278p2_h_acceptor(10,0.1). 2279p2_size(10,0.1). 2280p2_pi_acceptor(10,0.1). 2281p2_branch(10,0.1). 2282p2_sigma(10,0.1). 2283p2_polarisable(10,0.1). 2284p2_flex(11,0.1). 2285p2_pi_doner(11,0.1). 2286p2_polar(11,0.1). 2287p2_h_doner(11,0.1). 2288p2_h_acceptor(11,0.1). 2289p2_size(11,0.1). 2290p2_pi_acceptor(11,0.1). 2291p2_branch(11,0.1). 2292p2_sigma(11,0.1). 2293p2_polarisable(11,0.1). 2294p2_flex(12,0.1). 2295p2_pi_doner(12,0.1). 2296p2_polar(12,0.1). 2297p2_h_doner(12,0.1). 2298p2_h_acceptor(12,0.1). 2299p2_size(12,0.1). 2300p2_pi_acceptor(12,0.1). 2301p2_branch(12,0.1). 2302p2_sigma(12,0.1). 2303p2_polarisable(12,0.1). 2304p2_flex(13,0.1). 2305p2_pi_doner(13,0.1). 2306p2_polar(13,0.1). 2307p2_h_doner(13,0.1). 2308p2_h_acceptor(13,0.1). 2309p2_size(13,0.1). 2310p2_pi_acceptor(13,0.1). 2311p2_branch(13,0.1). 2312p2_sigma(13,0.1). 2313p2_polarisable(13,0.1). 2314p2_flex(14,0.1). 2315p2_pi_doner(14,0.1). 2316p2_polar(14,0.1). 2317p2_h_doner(14,0.1). 2318p2_h_acceptor(14,0.1). 2319p2_size(14,0.1). 2320p2_pi_acceptor(14,0.1). 2321p2_branch(14,0.1). 2322p2_sigma(14,0.1). 2323p2_polarisable(14,0.1). 2324p2_flex(15,0.1). 2325p2_pi_doner(15,0.1). 2326p2_polar(15,0.1). 2327p2_h_doner(15,0.1). 2328p2_h_acceptor(15,0.1). 2329p2_size(15,0.1). 2330p2_pi_acceptor(15,0.1). 2331p2_branch(15,0.1). 2332p2_sigma(15,0.1). 2333p2_polarisable(15,0.1). 2334p2_flex(16,0.1). 2335p2_pi_doner(16,0.1). 2336p2_polar(16,0.1). 2337p2_h_doner(16,0.1). 2338p2_h_acceptor(16,0.1). 2339p2_size(16,0.1). 2340p2_pi_acceptor(16,0.1). 2341p2_branch(16,0.1). 2342p2_sigma(16,0.1). 2343p2_polarisable(16,0.1). 2344p2_flex(17,0.1). 2345p2_pi_doner(17,0.1). 2346p2_polar(17,0.1). 2347p2_h_doner(17,0.1). 2348p2_h_acceptor(17,0.1). 2349p2_size(17,0.1). 2350p2_pi_acceptor(17,0.1). 2351p2_branch(17,0.1). 2352p2_sigma(17,0.1). 2353p2_polarisable(17,0.1). 2354p2_flex(18,0.1). 2355p2_pi_doner(18,0.1). 2356p2_polar(18,0.1). 2357p2_h_doner(18,0.1). 2358p2_h_acceptor(18,0.1). 2359p2_size(18,0.1). 2360p2_pi_acceptor(18,0.1). 2361p2_branch(18,0.1). 2362p2_sigma(18,0.1). 2363p2_polarisable(18,0.1). 2364p2_flex(19,0.1). 2365p2_pi_doner(19,0.1). 2366p2_polar(19,0.1). 2367p2_h_doner(19,0.1). 2368p2_h_acceptor(19,0.1). 2369p2_size(19,0.1). 2370p2_pi_acceptor(19,0.1). 2371p2_branch(19,0.1). 2372p2_sigma(19,0.1). 2373p2_polarisable(19,0.1). 2374p2_flex(20,0.1). 2375p2_pi_doner(20,0.1). 2376p2_polar(20,0.1). 2377p2_h_doner(20,0.1). 2378p2_h_acceptor(20,0.1). 2379p2_size(20,0.1). 2380p2_pi_acceptor(20,0.1). 2381p2_branch(20,0.1). 2382p2_sigma(20,0.1). 2383p2_polarisable(20,0.1). 2384p2_flex(21,0.1). 2385p2_pi_doner(21,0.1). 2386p2_polar(21,0.1). 2387p2_h_doner(21,0.1). 2388p2_h_acceptor(21,0.1). 2389p2_size(21,0.1). 2390p2_pi_acceptor(21,0.1). 2391p2_branch(21,0.1). 2392p2_sigma(21,0.1). 2393p2_polarisable(21,0.1). 2394p2_flex(22,0.1). 2395p2_pi_doner(22,0.1). 2396p2_polar(22,0.1). 2397p2_h_doner(22,0.1). 2398p2_h_acceptor(22,0.1). 2399p2_size(22,0.1). 2400p2_pi_acceptor(22,0.1). 2401p2_branch(22,0.1). 2402p2_sigma(22,0.1). 2403p2_polarisable(22,0.1). 2404p2_flex(23,0.1). 2405p2_pi_doner(23,0.1). 2406p2_polar(23,0.1). 2407p2_h_doner(23,0.1). 2408p2_h_acceptor(23,0.1). 2409p2_size(23,0.1). 2410p2_pi_acceptor(23,0.1). 2411p2_branch(23,0.1). 2412p2_sigma(23,0.1). 2413p2_polarisable(23,0.1). 2414p2_flex(24,0.1). 2415p2_pi_doner(24,0.1). 2416p2_polar(24,0.1). 2417p2_h_doner(24,0.1). 2418p2_h_acceptor(24,0.1). 2419p2_size(24,0.1). 2420p2_pi_acceptor(24,0.1). 2421p2_branch(24,0.1). 2422p2_sigma(24,0.1). 2423p2_polarisable(24,0.1). 2424p2_flex(25,0.1). 2425p2_pi_doner(25,0.1). 2426p2_polar(25,0.1). 2427p2_h_doner(25,0.1). 2428p2_h_acceptor(25,0.1). 2429p2_size(25,0.1). 2430p2_pi_acceptor(25,0.1). 2431p2_branch(25,0.1). 2432p2_sigma(25,0.1). 2433p2_polarisable(25,0.1). 2434p2_flex(26,0.1). 2435p2_pi_doner(26,0.1). 2436p2_polar(26,0.1). 2437p2_h_doner(26,0.1). 2438p2_h_acceptor(26,0.1). 2439p2_size(26,0.1). 2440p2_pi_acceptor(26,0.1). 2441p2_branch(26,0.1). 2442p2_sigma(26,0.1). 2443p2_polarisable(26,0.1). 2444p2_flex(27,0.1). 2445p2_pi_doner(27,0.1). 2446p2_polar(27,0.1). 2447p2_h_doner(27,0.1). 2448p2_h_acceptor(27,0.1). 2449p2_size(27,0.1). 2450p2_pi_acceptor(27,0.1). 2451p2_branch(27,0.1). 2452p2_sigma(27,0.1). 2453p2_polarisable(27,0.1). 2454p2_flex(28,0.1). 2455p2_pi_doner(28,0.1). 2456p2_polar(28,0.1). 2457p2_h_doner(28,0.1). 2458p2_h_acceptor(28,0.1). 2459p2_size(28,0.1). 2460p2_pi_acceptor(28,0.1). 2461p2_branch(28,0.1). 2462p2_sigma(28,0.1). 2463p2_polarisable(28,0.1). 2464p2_flex(29,0.1). 2465p2_pi_doner(29,0.1). 2466p2_polar(29,0.1). 2467p2_h_doner(29,0.1). 2468p2_h_acceptor(29,0.1). 2469p2_size(29,0.1). 2470p2_pi_acceptor(29,0.1). 2471p2_branch(29,0.1). 2472p2_sigma(29,0.1). 2473p2_polarisable(29,0.1). 2474p2_flex(30,0.1). 2475p2_pi_doner(30,0.1). 2476p2_polar(30,0.1). 2477p2_h_doner(30,0.1). 2478p2_h_acceptor(30,0.1). 2479p2_size(30,0.1). 2480p2_pi_acceptor(30,0.1). 2481p2_branch(30,0.1). 2482p2_sigma(30,0.1). 2483p2_polarisable(30,0.1). 2484p2_flex(31,0.1). 2485p2_pi_doner(31,0.1). 2486p2_polar(31,0.1). 2487p2_h_doner(31,0.1). 2488p2_h_acceptor(31,0.1). 2489p2_size(31,0.1). 2490p2_pi_acceptor(31,0.1). 2491p2_branch(31,0.1). 2492p2_sigma(31,0.1). 2493p2_polarisable(31,0.1). 2494p2_flex(32,0.1). 2495p2_pi_doner(32,0.1). 2496p2_polar(32,0.1). 2497p2_h_doner(32,0.1). 2498p2_h_acceptor(32,0.1). 2499p2_size(32,0.1). 2500p2_pi_acceptor(32,0.1). 2501p2_branch(32,0.1). 2502p2_sigma(32,0.1). 2503p2_polarisable(32,0.1). 2504p2_flex(33,0.1). 2505p2_pi_doner(33,0.1). 2506p2_polar(33,0.1). 2507p2_h_doner(33,0.1). 2508p2_h_acceptor(33,0.1). 2509p2_size(33,0.1). 2510p2_pi_acceptor(33,0.1). 2511p2_branch(33,0.1). 2512p2_sigma(33,0.1). 2513p2_polarisable(33,0.1). 2514p2_flex(34,0.1). 2515p2_pi_doner(34,0.1). 2516p2_polar(34,0.1). 2517p2_h_doner(34,0.1). 2518p2_h_acceptor(34,0.1). 2519p2_size(34,0.1). 2520p2_pi_acceptor(34,0.1). 2521p2_branch(34,0.1). 2522p2_sigma(34,0.1). 2523p2_polarisable(34,0.1). 2524p2_flex(35,0.1). 2525p2_pi_doner(35,0.1). 2526p2_polar(35,0.1). 2527p2_h_doner(35,0.1). 2528p2_h_acceptor(35,0.1). 2529p2_size(35,0.1). 2530p2_pi_acceptor(35,0.1). 2531p2_branch(35,0.1). 2532p2_sigma(35,0.1). 2533p2_polarisable(35,0.1). 2534p2_flex(36,0.1). 2535p2_pi_doner(36,0.1). 2536p2_polar(36,0.1). 2537p2_h_doner(36,0.1). 2538p2_h_acceptor(36,0.1). 2539p2_size(36,0.1). 2540p2_pi_acceptor(36,0.1). 2541p2_branch(36,0.1). 2542p2_sigma(36,0.1). 2543p2_polarisable(36,0.1). 2544p2_flex(37,0.1). 2545p2_pi_doner(37,0.1). 2546p2_polar(37,0.1). 2547p2_h_doner(37,0.1). 2548p2_h_acceptor(37,0.1). 2549p2_size(37,0.1). 2550p2_pi_acceptor(37,0.1). 2551p2_branch(37,0.1). 2552p2_sigma(37,0.1). 2553p2_polarisable(37,0.1). 2554p2_flex(38,0.1). 2555p2_pi_doner(38,0.1). 2556p2_polar(38,0.1). 2557p2_h_doner(38,0.1). 2558p2_h_acceptor(38,0.1). 2559p2_size(38,0.1). 2560p2_pi_acceptor(38,0.1). 2561p2_branch(38,0.1). 2562p2_sigma(38,0.1). 2563p2_polarisable(38,0.1). 2564p2_flex(39,0.1). 2565p2_pi_doner(39,0.1). 2566p2_polar(39,0.1). 2567p2_h_doner(39,0.1). 2568p2_h_acceptor(39,0.1). 2569p2_size(39,0.1). 2570p2_pi_acceptor(39,0.1). 2571p2_branch(39,0.1). 2572p2_sigma(39,0.1). 2573p2_polarisable(39,0.1). 2574p2_flex(40,0.1). 2575p2_pi_doner(40,0.1). 2576p2_polar(40,0.1). 2577p2_h_doner(40,0.1). 2578p2_h_acceptor(40,0.1). 2579p2_size(40,0.1). 2580p2_pi_acceptor(40,0.1). 2581p2_branch(40,0.1). 2582p2_sigma(40,0.1). 2583p2_polarisable(40,0.1). 2584p2_flex(41,0.1). 2585p2_pi_doner(41,0.1). 2586p2_polar(41,0.1). 2587p2_h_doner(41,0.1). 2588p2_h_acceptor(41,0.1). 2589p2_size(41,0.1). 2590p2_pi_acceptor(41,0.1). 2591p2_branch(41,0.1). 2592p2_sigma(41,0.1). 2593p2_polarisable(41,0.1). 2594p2_flex(42,0.1). 2595p2_pi_doner(42,0.1). 2596p2_polar(42,0.1). 2597p2_h_doner(42,0.1). 2598p2_h_acceptor(42,0.1). 2599p2_size(42,0.1). 2600p2_pi_acceptor(42,0.1). 2601p2_branch(42,0.1). 2602p2_sigma(42,0.1). 2603p2_polarisable(42,0.1). 2604p2_flex(43,0.1). 2605p2_pi_doner(43,0.1). 2606p2_polar(43,0.1). 2607p2_h_doner(43,0.1). 2608p2_h_acceptor(43,0.1). 2609p2_size(43,0.1). 2610p2_pi_acceptor(43,0.1). 2611p2_branch(43,0.1). 2612p2_sigma(43,0.1). 2613p2_polarisable(43,0.1). 2614p2_flex(44,0.1). 2615p2_pi_doner(44,0.1). 2616p2_polar(44,0.1). 2617p2_h_doner(44,0.1). 2618p2_h_acceptor(44,0.1). 2619p2_size(44,0.1). 2620p2_pi_acceptor(44,0.1). 2621p2_branch(44,0.1). 2622p2_sigma(44,0.1). 2623p2_polarisable(44,0.1). 2624p2_flex(45,0.1). 2625p2_pi_doner(45,0.1). 2626p2_polar(45,0.1). 2627p2_h_doner(45,0.1). 2628p2_h_acceptor(45,0.1). 2629p2_size(45,0.1). 2630p2_pi_acceptor(45,0.1). 2631p2_branch(45,0.1). 2632p2_sigma(45,0.1). 2633p2_polarisable(45,0.1). 2634p2_flex(46,0.1). 2635p2_pi_doner(46,0.1). 2636p2_polar(46,0.1). 2637p2_h_doner(46,0.1). 2638p2_h_acceptor(46,0.1). 2639p2_size(46,0.1). 2640p2_pi_acceptor(46,0.1). 2641p2_branch(46,0.1). 2642p2_sigma(46,0.1). 2643p2_polarisable(46,0.1). 2644p2_flex(47,0.1). 2645p2_pi_doner(47,0.1). 2646p2_polar(47,0.1). 2647p2_h_doner(47,0.1). 2648p2_h_acceptor(47,0.1). 2649p2_size(47,0.1). 2650p2_pi_acceptor(47,0.1). 2651p2_branch(47,0.1). 2652p2_sigma(47,0.1). 2653p2_polarisable(47,0.1). 2654p2_flex(48,0.1). 2655p2_pi_doner(48,0.1). 2656p2_polar(48,0.1). 2657p2_h_doner(48,0.1). 2658p2_h_acceptor(48,0.1). 2659p2_size(48,0.1). 2660p2_pi_acceptor(48,0.1). 2661p2_branch(48,0.1). 2662p2_sigma(48,0.1). 2663p2_polarisable(48,0.1). 2664p2_flex(49,0.1). 2665p2_pi_doner(49,0.1). 2666p2_polar(49,0.1). 2667p2_h_doner(49,0.1). 2668p2_h_acceptor(49,0.1). 2669p2_size(49,0.1). 2670p2_pi_acceptor(49,0.1). 2671p2_branch(49,0.1). 2672p2_sigma(49,0.1). 2673p2_polarisable(49,0.1). 2674p2_flex(50,0.1). 2675p2_pi_doner(50,0.1). 2676p2_polar(50,0.1). 2677p2_h_doner(50,0.1). 2678p2_h_acceptor(50,0.1). 2679p2_size(50,0.1). 2680p2_pi_acceptor(50,0.1). 2681p2_branch(50,0.1). 2682p2_sigma(50,0.1). 2683p2_polarisable(50,0.1). 2684p2_flex(51,0.1). 2685p2_pi_doner(51,0.1). 2686p2_polar(51,0.1). 2687p2_h_doner(51,0.1). 2688p2_h_acceptor(51,0.1). 2689p2_size(51,0.1). 2690p2_pi_acceptor(51,0.1). 2691p2_branch(51,0.1). 2692p2_sigma(51,0.1). 2693p2_polarisable(51,0.1). 2694p2_flex(52,0.1). 2695p2_pi_doner(52,0.1). 2696p2_polar(52,0.1). 2697p2_h_doner(52,0.1). 2698p2_h_acceptor(52,0.1). 2699p2_size(52,0.1). 2700p2_pi_acceptor(52,0.1). 2701p2_branch(52,0.1). 2702p2_sigma(52,0.1). 2703p2_polarisable(52,0.1). 2704p2_flex(53,0.1). 2705p2_pi_doner(53,0.1). 2706p2_polar(53,0.1). 2707p2_h_doner(53,0.1). 2708p2_h_acceptor(53,0.1). 2709p2_size(53,0.1). 2710p2_pi_acceptor(53,0.1). 2711p2_branch(53,0.1). 2712p2_sigma(53,0.1). 2713p2_polarisable(53,0.1). 2714p2_flex(54,0.1). 2715p2_pi_doner(54,0.1). 2716p2_polar(54,0.1). 2717p2_h_doner(54,0.1). 2718p2_h_acceptor(54,0.1). 2719p2_size(54,0.1). 2720p2_pi_acceptor(54,0.1). 2721p2_branch(54,0.1). 2722p2_sigma(54,0.1). 2723p2_polarisable(54,0.1). 2724p2_flex(55,0.1). 2725p2_pi_doner(55,0.1). 2726p2_polar(55,0.1). 2727p2_h_doner(55,0.1). 2728p2_h_acceptor(55,0.1). 2729p2_size(55,0.1). 2730p2_pi_acceptor(55,0.1). 2731p2_branch(55,0.1). 2732p2_sigma(55,0.1). 2733p2_polarisable(55,0.1). 2734p2_flex(56,0.1). 2735p2_pi_doner(56,0.1). 2736p2_polar(56,0.1). 2737p2_h_doner(56,0.1). 2738p2_h_acceptor(56,0.1). 2739p2_size(56,0.1). 2740p2_pi_acceptor(56,0.1). 2741p2_branch(56,0.1). 2742p2_sigma(56,0.1). 2743p2_polarisable(56,0.1). 2744p2_flex(57,0.1). 2745p2_pi_doner(57,0.1). 2746p2_polar(57,0.1). 2747p2_h_doner(57,0.1). 2748p2_h_acceptor(57,0.1). 2749p2_size(57,0.1). 2750p2_pi_acceptor(57,0.1). 2751p2_branch(57,0.1). 2752p2_sigma(57,0.1). 2753p2_polarisable(57,0.1). 2754p2_flex(58,0.1). 2755p2_pi_doner(58,0.1). 2756p2_polar(58,0.1). 2757p2_h_doner(58,0.1). 2758p2_h_acceptor(58,0.1). 2759p2_size(58,0.1). 2760p2_pi_acceptor(58,0.1). 2761p2_branch(58,0.1). 2762p2_sigma(58,0.1). 2763p2_polarisable(58,0.1). 2764p2_flex(59,0.1). 2765p2_pi_doner(59,0.1). 2766p2_polar(59,0.1). 2767p2_h_doner(59,0.1). 2768p2_h_acceptor(59,0.1). 2769p2_size(59,0.1). 2770p2_pi_acceptor(59,0.1). 2771p2_branch(59,0.1). 2772p2_sigma(59,0.1). 2773p2_polarisable(59,0.1). 2774p2_flex(60,0.1). 2775p2_pi_doner(60,0.1). 2776p2_polar(60,0.1). 2777p2_h_doner(60,0.1). 2778p2_h_acceptor(60,0.1). 2779p2_size(60,0.1). 2780p2_pi_acceptor(60,0.1). 2781p2_branch(60,0.1). 2782p2_sigma(60,0.1). 2783p2_polarisable(60,0.1). 2784p2_flex(61,0.1). 2785p2_pi_doner(61,0.1). 2786p2_polar(61,0.1). 2787p2_h_doner(61,0.1). 2788p2_h_acceptor(61,0.1). 2789p2_size(61,0.1). 2790p2_pi_acceptor(61,0.1). 2791p2_branch(61,0.1). 2792p2_sigma(61,0.1). 2793p2_polarisable(61,0.1). 2794p2_flex(62,0.1). 2795p2_pi_doner(62,0.1). 2796p2_polar(62,0.1). 2797p2_h_doner(62,0.1). 2798p2_h_acceptor(62,0.1). 2799p2_size(62,0.1). 2800p2_pi_acceptor(62,0.1). 2801p2_branch(62,0.1). 2802p2_sigma(62,0.1). 2803p2_polarisable(62,0.1). 2804p2_flex(63,0.1). 2805p2_pi_doner(63,0.1). 2806p2_polar(63,0.1). 2807p2_h_doner(63,0.1). 2808p2_h_acceptor(63,0.1). 2809p2_size(63,0.1). 2810p2_pi_acceptor(63,0.1). 2811p2_branch(63,0.1). 2812p2_sigma(63,0.1). 2813p2_polarisable(63,0.1). 2814p2_flex(64,0.1). 2815p2_pi_doner(64,0.1). 2816p2_polar(64,0.1). 2817p2_h_doner(64,0.1). 2818p2_h_acceptor(64,0.1). 2819p2_size(64,0.1). 2820p2_pi_acceptor(64,0.1). 2821p2_branch(64,0.1). 2822p2_sigma(64,0.1). 2823p2_polarisable(64,0.1). 2824p2_flex(65,0.1). 2825p2_pi_doner(65,0.1). 2826p2_polar(65,0.1). 2827p2_h_doner(65,0.1). 2828p2_h_acceptor(65,0.1). 2829p2_size(65,0.1). 2830p2_pi_acceptor(65,0.1). 2831p2_branch(65,0.1). 2832p2_sigma(65,0.1). 2833p2_polarisable(65,0.1). 2834p2_flex(66,0.1). 2835p2_pi_doner(66,0.1). 2836p2_polar(66,0.1). 2837p2_h_doner(66,0.1). 2838p2_h_acceptor(66,0.1). 2839p2_size(66,0.1). 2840p2_pi_acceptor(66,0.1). 2841p2_branch(66,0.1). 2842p2_sigma(66,0.1). 2843p2_polarisable(66,0.1). 2844p2_flex(67,0.1). 2845p2_pi_doner(67,0.1). 2846p2_polar(67,0.1). 2847p2_h_doner(67,0.1). 2848p2_h_acceptor(67,0.1). 2849p2_size(67,0.1). 2850p2_pi_acceptor(67,0.1). 2851p2_branch(67,0.1). 2852p2_sigma(67,0.1). 2853p2_polarisable(67,0.1). 2854p2_flex(68,0.1). 2855p2_pi_doner(68,0.1). 2856p2_polar(68,0.1). 2857p2_h_doner(68,0.1). 2858p2_h_acceptor(68,0.1). 2859p2_size(68,0.1). 2860p2_pi_acceptor(68,0.1). 2861p2_branch(68,0.1). 2862p2_sigma(68,0.1). 2863p2_polarisable(68,0.1). 2864p2_flex(69,0.1). 2865p2_pi_doner(69,0.1). 2866p2_polar(69,0.1). 2867p2_h_doner(69,0.1). 2868p2_h_acceptor(69,0.1). 2869p2_size(69,0.1). 2870p2_pi_acceptor(69,0.1). 2871p2_branch(69,0.1). 2872p2_sigma(69,0.1). 2873p2_polarisable(69,0.1). 2874p2_flex(70,0.1). 2875p2_pi_doner(70,0.1). 2876p2_polar(70,0.1). 2877p2_h_doner(70,0.1). 2878p2_h_acceptor(70,0.1). 2879p2_size(70,0.1). 2880p2_pi_acceptor(70,0.1). 2881p2_branch(70,0.1). 2882p2_sigma(70,0.1). 2883p2_polarisable(70,0.1). 2884p2_flex(71,0.1). 2885p2_pi_doner(71,0.1). 2886p2_polar(71,0.1). 2887p2_h_doner(71,0.1). 2888p2_h_acceptor(71,0.1). 2889p2_size(71,0.1). 2890p2_pi_acceptor(71,0.1). 2891p2_branch(71,0.1). 2892p2_sigma(71,0.1). 2893p2_polarisable(71,0.1). 2894p2_flex(72,0.1). 2895p2_pi_doner(72,0.1). 2896p2_polar(72,0.26). 2897p2_h_doner(72,0.1). 2898p2_h_acceptor(72,0.1). 2899p2_size(72,0.1). 2900p2_pi_acceptor(72,0.1). 2901p2_branch(72,0.1). 2902p2_sigma(72,0.1). 2903p2_polarisable(72,0.1). 2904p2_flex(73,0.1). 2905p2_pi_doner(73,0.1). 2906p2_polar(73,0.26). 2907p2_h_doner(73,0.1). 2908p2_h_acceptor(73,0.1). 2909p2_size(73,0.1). 2910p2_pi_acceptor(73,0.1). 2911p2_branch(73,0.1). 2912p2_sigma(73,0.1). 2913p2_polarisable(73,0.1). 2914p2_flex(74,0.1). 2915p2_pi_doner(74,0.1). 2916p2_polar(74,0.26). 2917p2_h_doner(74,0.1). 2918p2_h_acceptor(74,0.1). 2919p2_size(74,0.1). 2920p2_pi_acceptor(74,0.1). 2921p2_branch(74,0.1). 2922p2_sigma(74,0.1). 2923p2_polarisable(74,0.1). 2924p2_flex(75,0.1). 2925p2_pi_doner(75,0.1). 2926p2_polar(75,0.26). 2927p2_h_doner(75,0.1). 2928p2_h_acceptor(75,0.1). 2929p2_size(75,0.1). 2930p2_pi_acceptor(75,0.1). 2931p2_branch(75,0.1). 2932p2_sigma(75,0.1). 2933p2_polarisable(75,0.1). 2934p2_flex(76,0.1). 2935p2_pi_doner(76,0.1). 2936p2_polar(76,0.26). 2937p2_h_doner(76,0.1). 2938p2_h_acceptor(76,0.1). 2939p2_size(76,0.1). 2940p2_pi_acceptor(76,0.1). 2941p2_branch(76,0.1). 2942p2_sigma(76,0.1). 2943p2_polarisable(76,0.1). 2944p2_flex(77,0.1). 2945p2_pi_doner(77,0.1). 2946p2_polar(77,0.26). 2947p2_h_doner(77,0.1). 2948p2_h_acceptor(77,0.1). 2949p2_size(77,0.1). 2950p2_pi_acceptor(77,0.1). 2951p2_branch(77,0.1). 2952p2_sigma(77,0.1). 2953p2_polarisable(77,0.1). 2954p2_flex(78,0.1). 2955p2_pi_doner(78,0.1). 2956p2_polar(78,0.1). 2957p2_h_doner(78,0.1). 2958p2_h_acceptor(78,0.1). 2959p2_size(78,0.1). 2960p2_pi_acceptor(78,0.1). 2961p2_branch(78,0.1). 2962p2_sigma(78,0.1). 2963p2_polarisable(78,0.1). 2964p2_flex(79,0.1). 2965p2_pi_doner(79,0.1). 2966p2_polar(79,0.1). 2967p2_h_doner(79,0.1). 2968p2_h_acceptor(79,0.1). 2969p2_size(79,0.1). 2970p2_pi_acceptor(79,0.1). 2971p2_branch(79,0.1). 2972p2_sigma(79,0.1). 2973p2_polarisable(79,0.1). 2974p2_flex(80,0.1). 2975p2_pi_doner(80,0.1). 2976p2_polar(80,0.26). 2977p2_h_doner(80,0.1). 2978p2_h_acceptor(80,0.1). 2979p2_size(80,0.1). 2980p2_pi_acceptor(80,0.1). 2981p2_branch(80,0.1). 2982p2_sigma(80,0.1). 2983p2_polarisable(80,0.1). 2984p2_flex(81,0.1). 2985p2_pi_doner(81,0.1). 2986p2_polar(81,0.26). 2987p2_h_doner(81,0.1). 2988p2_h_acceptor(81,0.1). 2989p2_size(81,0.1). 2990p2_pi_acceptor(81,0.1). 2991p2_branch(81,0.1). 2992p2_sigma(81,0.1). 2993p2_polarisable(81,0.1). 2994p2_flex(82,0.1). 2995p2_pi_doner(82,0.1). 2996p2_polar(82,0.26). 2997p2_h_doner(82,0.1). 2998p2_h_acceptor(82,0.1). 2999p2_size(82,0.1). 3000p2_pi_acceptor(82,0.1). 3001p2_branch(82,0.1). 3002p2_sigma(82,0.1). 3003p2_polarisable(82,0.1). 3004p2_flex(83,0.1). 3005p2_pi_doner(83,0.1). 3006p2_polar(83,0.26). 3007p2_h_doner(83,0.1). 3008p2_h_acceptor(83,0.1). 3009p2_size(83,0.1). 3010p2_pi_acceptor(83,0.1). 3011p2_branch(83,0.1). 3012p2_sigma(83,0.1). 3013p2_polarisable(83,0.1). 3014p2_flex(84,0.9). 3015p2_pi_doner(84,0.9). 3016p2_polar(84,0.42). 3017p2_h_doner(84,0.9). 3018p2_h_acceptor(84,0.9). 3019p2_size(84,0.9). 3020p2_pi_acceptor(84,0.1). 3021p2_branch(84,0.5). 3022p2_sigma(84,0.367). 3023p2_polarisable(84,0.5). 3024p2_flex(85,0.1). 3025p2_pi_doner(85,0.1). 3026p2_polar(85,0.58). 3027p2_h_doner(85,0.1). 3028p2_h_acceptor(85,0.1). 3029p2_size(85,0.367). 3030p2_pi_acceptor(85,0.1). 3031p2_branch(85,0.1). 3032p2_sigma(85,0.9). 3033p2_polarisable(85,0.5). 3034p2_flex(86,0.1). 3035p2_pi_doner(86,0.1). 3036p2_polar(86,0.74). 3037p2_h_doner(86,0.1). 3038p2_h_acceptor(86,0.1). 3039p2_size(86,0.633). 3040p2_pi_acceptor(86,0.5). 3041p2_branch(86,0.9). 3042p2_sigma(86,0.633). 3043p2_polarisable(86,0.9). 3044p2_flex(87,0.1). 3045p2_pi_doner(87,0.1). 3046p2_polar(87,0.74). 3047p2_h_doner(87,0.1). 3048p2_h_acceptor(87,0.1). 3049p2_size(87,0.633). 3050p2_pi_acceptor(87,0.5). 3051p2_branch(87,0.9). 3052p2_sigma(87,0.633). 3053p2_polarisable(87,0.9). 3054p2_flex(88,0.1). 3055p2_pi_doner(88,0.1). 3056p2_polar(88,0.1). 3057p2_h_doner(88,0.1). 3058p2_h_acceptor(88,0.1). 3059p2_size(88,0.1). 3060p2_pi_acceptor(88,0.1). 3061p2_branch(88,0.1). 3062p2_sigma(88,0.1). 3063p2_polarisable(88,0.1). 3064p2_flex(89,0.1). 3065p2_pi_doner(89,0.1). 3066p2_polar(89,0.26). 3067p2_h_doner(89,0.1). 3068p2_h_acceptor(89,0.1). 3069p2_size(89,0.1). 3070p2_pi_acceptor(89,0.1). 3071p2_branch(89,0.1). 3072p2_sigma(89,0.1). 3073p2_polarisable(89,0.1). 3074p2_flex(90,0.1). 3075p2_pi_doner(90,0.1). 3076p2_polar(90,0.26). 3077p2_h_doner(90,0.1). 3078p2_h_acceptor(90,0.1). 3079p2_size(90,0.1). 3080p2_pi_acceptor(90,0.1). 3081p2_branch(90,0.1). 3082p2_sigma(90,0.1). 3083p2_polarisable(90,0.1). 3084p2_flex(91,0.1). 3085p2_pi_doner(91,0.1). 3086p2_polar(91,0.1). 3087p2_h_doner(91,0.1). 3088p2_h_acceptor(91,0.1). 3089p2_size(91,0.1). 3090p2_pi_acceptor(91,0.1). 3091p2_branch(91,0.1). 3092p2_sigma(91,0.1). 3093p2_polarisable(91,0.1). 3094p2_flex(92,0.1). 3095p2_pi_doner(92,0.1). 3096p2_polar(92,0.26). 3097p2_h_doner(92,0.1). 3098p2_h_acceptor(92,0.1). 3099p2_size(92,0.1). 3100p2_pi_acceptor(92,0.1). 3101p2_branch(92,0.1). 3102p2_sigma(92,0.1). 3103p2_polarisable(92,0.1). 3104p2_flex(93,0.1). 3105p2_pi_doner(93,0.1). 3106p2_polar(93,0.74). 3107p2_h_doner(93,0.1). 3108p2_h_acceptor(93,0.1). 3109p2_size(93,0.633). 3110p2_pi_acceptor(93,0.5). 3111p2_branch(93,0.9). 3112p2_sigma(93,0.633). 3113p2_polarisable(93,0.9). 3114p2_flex(94,0.9). 3115p2_pi_doner(94,0.9). 3116p2_polar(94,0.42). 3117p2_h_doner(94,0.9). 3118p2_h_acceptor(94,0.9). 3119p2_size(94,0.9). 3120p2_pi_acceptor(94,0.1). 3121p2_branch(94,0.5). 3122p2_sigma(94,0.367). 3123p2_polarisable(94,0.5). 3124p2_flex(95,0.1). 3125p2_pi_doner(95,0.1). 3126p2_polar(95,0.1). 3127p2_h_doner(95,0.1). 3128p2_h_acceptor(95,0.1). 3129p2_size(95,0.1). 3130p2_pi_acceptor(95,0.1). 3131p2_branch(95,0.1). 3132p2_sigma(95,0.1). 3133p2_polarisable(95,0.1). 3134p2_flex(96,0.1). 3135p2_pi_doner(96,0.1). 3136p2_polar(96,0.26). 3137p2_h_doner(96,0.1). 3138p2_h_acceptor(96,0.1). 3139p2_size(96,0.1). 3140p2_pi_acceptor(96,0.1). 3141p2_branch(96,0.1). 3142p2_sigma(96,0.1). 3143p2_polarisable(96,0.1). 3144p2_flex(97,0.1). 3145p2_pi_doner(97,0.1). 3146p2_polar(97,0.26). 3147p2_h_doner(97,0.1). 3148p2_h_acceptor(97,0.1). 3149p2_size(97,0.1). 3150p2_pi_acceptor(97,0.1). 3151p2_branch(97,0.1). 3152p2_sigma(97,0.1). 3153p2_polarisable(97,0.1). 3154p2_flex(98,0.1). 3155p2_pi_doner(98,0.1). 3156p2_polar(98,0.26). 3157p2_h_doner(98,0.1). 3158p2_h_acceptor(98,0.1). 3159p2_size(98,0.1). 3160p2_pi_acceptor(98,0.1). 3161p2_branch(98,0.1). 3162p2_sigma(98,0.1). 3163p2_polarisable(98,0.1). 3164p2_flex(99,0.1). 3165p2_pi_doner(99,0.1). 3166p2_polar(99,0.26). 3167p2_h_doner(99,0.1). 3168p2_h_acceptor(99,0.1). 3169p2_size(99,0.1). 3170p2_pi_acceptor(99,0.1). 3171p2_branch(99,0.1). 3172p2_sigma(99,0.1). 3173p2_polarisable(99,0.1). 3174p2_flex(100,0.1). 3175p2_pi_doner(100,0.1). 3176p2_polar(100,0.26). 3177p2_h_doner(100,0.1). 3178p2_h_acceptor(100,0.1). 3179p2_size(100,0.1). 3180p2_pi_acceptor(100,0.1). 3181p2_branch(100,0.1). 3182p2_sigma(100,0.1). 3183p2_polarisable(100,0.1). 3184p2_flex(101,0.1). 3185p2_pi_doner(101,0.1). 3186p2_polar(101,0.26). 3187p2_h_doner(101,0.1). 3188p2_h_acceptor(101,0.1). 3189p2_size(101,0.1). 3190p2_pi_acceptor(101,0.1). 3191p2_branch(101,0.1). 3192p2_sigma(101,0.1). 3193p2_polarisable(101,0.1). 3194p2_flex(102,0.1). 3195p2_pi_doner(102,0.1). 3196p2_polar(102,0.26). 3197p2_h_doner(102,0.1). 3198p2_h_acceptor(102,0.1). 3199p2_size(102,0.1). 3200p2_pi_acceptor(102,0.1). 3201p2_branch(102,0.1). 3202p2_sigma(102,0.1). 3203p2_polarisable(102,0.1). 3204p2_flex(103,0.9). 3205p2_pi_doner(103,0.9). 3206p2_polar(103,0.42). 3207p2_h_doner(103,0.9). 3208p2_h_acceptor(103,0.9). 3209p2_size(103,0.9). 3210p2_pi_acceptor(103,0.1). 3211p2_branch(103,0.5). 3212p2_sigma(103,0.367). 3213p2_polarisable(103,0.5). 3214p2_flex(104,0.1). 3215p2_pi_doner(104,0.1). 3216p2_polar(104,0.26). 3217p2_h_doner(104,0.1). 3218p2_h_acceptor(104,0.1). 3219p2_size(104,0.1). 3220p2_pi_acceptor(104,0.1). 3221p2_branch(104,0.1). 3222p2_sigma(104,0.1). 3223p2_polarisable(104,0.1). 3224p2_flex(105,0.1). 3225p2_pi_doner(105,0.1). 3226p2_polar(105,0.26). 3227p2_h_doner(105,0.1). 3228p2_h_acceptor(105,0.1). 3229p2_size(105,0.1). 3230p2_pi_acceptor(105,0.1). 3231p2_branch(105,0.1). 3232p2_sigma(105,0.1). 3233p2_polarisable(105,0.1). 3234p2_flex(106,0.1). 3235p2_pi_doner(106,0.1). 3236p2_polar(106,0.26). 3237p2_h_doner(106,0.1). 3238p2_h_acceptor(106,0.1). 3239p2_size(106,0.1). 3240p2_pi_acceptor(106,0.1). 3241p2_branch(106,0.1). 3242p2_sigma(106,0.1). 3243p2_polarisable(106,0.1). 3244p2_flex(107,0.9). 3245p2_pi_doner(107,0.9). 3246p2_polar(107,0.42). 3247p2_h_doner(107,0.9). 3248p2_h_acceptor(107,0.9). 3249p2_size(107,0.9). 3250p2_pi_acceptor(107,0.1). 3251p2_branch(107,0.5). 3252p2_sigma(107,0.367). 3253p2_polarisable(107,0.5). 3254p2_flex(108,0.1). 3255p2_pi_doner(108,0.1). 3256p2_polar(108,0.1). 3257p2_h_doner(108,0.1). 3258p2_h_acceptor(108,0.1). 3259p2_size(108,0.1). 3260p2_pi_acceptor(108,0.1). 3261p2_branch(108,0.1). 3262p2_sigma(108,0.1). 3263p2_polarisable(108,0.1). 3264p2_flex(109,0.1). 3265p2_pi_doner(109,0.1). 3266p2_polar(109,0.26). 3267p2_h_doner(109,0.1). 3268p2_h_acceptor(109,0.1). 3269p2_size(109,0.1). 3270p2_pi_acceptor(109,0.1). 3271p2_branch(109,0.1). 3272p2_sigma(109,0.1). 3273p2_polarisable(109,0.1). 3274p2_flex(110,0.1). 3275p2_pi_doner(110,0.1). 3276p2_polar(110,0.42). 3277p2_h_doner(110,0.1). 3278p2_h_acceptor(110,0.9). 3279p2_size(110,0.633). 3280p2_pi_acceptor(110,0.1). 3281p2_branch(110,0.1). 3282p2_sigma(110,0.367). 3283p2_polarisable(110,0.5). 3284p2_flex(111,0.1). 3285p2_pi_doner(111,0.1). 3286p2_polar(111,0.58). 3287p2_h_doner(111,0.1). 3288p2_h_acceptor(111,0.1). 3289p2_size(111,0.367). 3290p2_pi_acceptor(111,0.1). 3291p2_branch(111,0.1). 3292p2_sigma(111,0.9). 3293p2_polarisable(111,0.5). 3294p2_flex(112,0.1). 3295p2_pi_doner(112,0.1). 3296p2_polar(112,0.74). 3297p2_h_doner(112,0.1). 3298p2_h_acceptor(112,0.9). 3299p2_size(112,0.367). 3300p2_pi_acceptor(112,0.9). 3301p2_branch(112,0.1). 3302p2_sigma(112,0.1). 3303p2_polarisable(112,0.9). 3304p2_flex(113,0.1). 3305p2_pi_doner(113,0.1). 3306p2_polar(113,0.74). 3307p2_h_doner(113,0.1). 3308p2_h_acceptor(113,0.1). 3309p2_size(113,0.633). 3310p2_pi_acceptor(113,0.5). 3311p2_branch(113,0.9). 3312p2_sigma(113,0.633). 3313p2_polarisable(113,0.9). 3314p2_flex(114,0.1). 3315p2_pi_doner(114,0.1). 3316p2_polar(114,0.9). 3317p2_h_doner(114,0.1). 3318p2_h_acceptor(114,0.1). 3319p2_size(114,0.633). 3320p2_pi_acceptor(114,0.9). 3321p2_branch(114,0.5). 3322p2_sigma(114,0.9). 3323p2_polarisable(114,0.1). 3324p2_flex(115,0.1). 3325p2_pi_doner(115,0.1). 3326p2_polar(115,0.1). 3327p2_h_doner(115,0.1). 3328p2_h_acceptor(115,0.1). 3329p2_size(115,0.1). 3330p2_pi_acceptor(115,0.1). 3331p2_branch(115,0.1). 3332p2_sigma(115,0.1). 3333p2_polarisable(115,0.1). 3334p2_flex(116,0.1). 3335p2_pi_doner(116,0.1). 3336p2_polar(116,0.26). 3337p2_h_doner(116,0.1). 3338p2_h_acceptor(116,0.1). 3339p2_size(116,0.1). 3340p2_pi_acceptor(116,0.1). 3341p2_branch(116,0.1). 3342p2_sigma(116,0.1). 3343p2_polarisable(116,0.1). 3344p2_flex(117,0.1). 3345p2_pi_doner(117,0.1). 3346p2_polar(117,0.26). 3347p2_h_doner(117,0.1). 3348p2_h_acceptor(117,0.1). 3349p2_size(117,0.1). 3350p2_pi_acceptor(117,0.1). 3351p2_branch(117,0.1). 3352p2_sigma(117,0.1). 3353p2_polarisable(117,0.1). 3354p2_flex(118,0.1). 3355p2_pi_doner(118,0.1). 3356p2_polar(118,0.26). 3357p2_h_doner(118,0.1). 3358p2_h_acceptor(118,0.1). 3359p2_size(118,0.1). 3360p2_pi_acceptor(118,0.1). 3361p2_branch(118,0.1). 3362p2_sigma(118,0.1). 3363p2_polarisable(118,0.1). 3364p2_flex(119,0.1). 3365p2_pi_doner(119,0.1). 3366p2_polar(119,0.1). 3367p2_h_doner(119,0.1). 3368p2_h_acceptor(119,0.1). 3369p2_size(119,0.1). 3370p2_pi_acceptor(119,0.1). 3371p2_branch(119,0.1). 3372p2_sigma(119,0.1). 3373p2_polarisable(119,0.1). 3374p2_flex(120,0.1). 3375p2_pi_doner(120,0.1). 3376p2_polar(120,0.26). 3377p2_h_doner(120,0.1). 3378p2_h_acceptor(120,0.1). 3379p2_size(120,0.1). 3380p2_pi_acceptor(120,0.1). 3381p2_branch(120,0.1). 3382p2_sigma(120,0.1). 3383p2_polarisable(120,0.1). 3384p2_flex(121,0.1). 3385p2_pi_doner(121,0.1). 3386p2_polar(121,0.1). 3387p2_h_doner(121,0.1). 3388p2_h_acceptor(121,0.1). 3389p2_size(121,0.1). 3390p2_pi_acceptor(121,0.1). 3391p2_branch(121,0.1). 3392p2_sigma(121,0.1). 3393p2_polarisable(121,0.1). 3394p2_flex(122,0.1). 3395p2_pi_doner(122,0.1). 3396p2_polar(122,0.1). 3397p2_h_doner(122,0.1). 3398p2_h_acceptor(122,0.1). 3399p2_size(122,0.1). 3400p2_pi_acceptor(122,0.1). 3401p2_branch(122,0.1). 3402p2_sigma(122,0.1). 3403p2_polarisable(122,0.1). 3404p2_flex(123,0.1). 3405p2_pi_doner(123,0.1). 3406p2_polar(123,0.26). 3407p2_h_doner(123,0.1). 3408p2_h_acceptor(123,0.1). 3409p2_size(123,0.1). 3410p2_pi_acceptor(123,0.1). 3411p2_branch(123,0.1). 3412p2_sigma(123,0.1). 3413p2_polarisable(123,0.1). 3414p2_flex(124,0.1). 3415p2_pi_doner(124,0.1). 3416p2_polar(124,0.1). 3417p2_h_doner(124,0.1). 3418p2_h_acceptor(124,0.1). 3419p2_size(124,0.1). 3420p2_pi_acceptor(124,0.1). 3421p2_branch(124,0.1). 3422p2_sigma(124,0.1). 3423p2_polarisable(124,0.1). 3424p2_flex(125,0.1). 3425p2_pi_doner(125,0.1). 3426p2_polar(125,0.1). 3427p2_h_doner(125,0.1). 3428p2_h_acceptor(125,0.1). 3429p2_size(125,0.1). 3430p2_pi_acceptor(125,0.1). 3431p2_branch(125,0.1). 3432p2_sigma(125,0.1). 3433p2_polarisable(125,0.1). 3434p2_flex(126,0.1). 3435p2_pi_doner(126,0.1). 3436p2_polar(126,0.1). 3437p2_h_doner(126,0.1). 3438p2_h_acceptor(126,0.1). 3439p2_size(126,0.1). 3440p2_pi_acceptor(126,0.1). 3441p2_branch(126,0.1). 3442p2_sigma(126,0.1). 3443p2_polarisable(126,0.1). 3444p2_flex(127,0.1). 3445p2_pi_doner(127,0.1). 3446p2_polar(127,0.1). 3447p2_h_doner(127,0.1). 3448p2_h_acceptor(127,0.1). 3449p2_size(127,0.1). 3450p2_pi_acceptor(127,0.1). 3451p2_branch(127,0.1). 3452p2_sigma(127,0.1). 3453p2_polarisable(127,0.1). 3454p2_flex(128,0.1). 3455p2_pi_doner(128,0.1). 3456p2_polar(128,0.1). 3457p2_h_doner(128,0.1). 3458p2_h_acceptor(128,0.1). 3459p2_size(128,0.1). 3460p2_pi_acceptor(128,0.1). 3461p2_branch(128,0.1). 3462p2_sigma(128,0.1). 3463p2_polarisable(128,0.1). 3464p2_flex(129,0.1). 3465p2_pi_doner(129,0.1). 3466p2_polar(129,0.1). 3467p2_h_doner(129,0.1). 3468p2_h_acceptor(129,0.1). 3469p2_size(129,0.1). 3470p2_pi_acceptor(129,0.1). 3471p2_branch(129,0.1). 3472p2_sigma(129,0.1). 3473p2_polarisable(129,0.1). 3474p2_flex(130,0.1). 3475p2_pi_doner(130,0.1). 3476p2_polar(130,0.1). 3477p2_h_doner(130,0.1). 3478p2_h_acceptor(130,0.1). 3479p2_size(130,0.1). 3480p2_pi_acceptor(130,0.1). 3481p2_branch(130,0.1). 3482p2_sigma(130,0.1). 3483p2_polarisable(130,0.1). 3484p2_flex(131,0.1). 3485p2_pi_doner(131,0.1). 3486p2_polar(131,0.1). 3487p2_h_doner(131,0.1). 3488p2_h_acceptor(131,0.1). 3489p2_size(131,0.1). 3490p2_pi_acceptor(131,0.1). 3491p2_branch(131,0.1). 3492p2_sigma(131,0.1). 3493p2_polarisable(131,0.1). 3494p2_flex(132,0.1). 3495p2_pi_doner(132,0.1). 3496p2_polar(132,0.1). 3497p2_h_doner(132,0.1). 3498p2_h_acceptor(132,0.1). 3499p2_size(132,0.1). 3500p2_pi_acceptor(132,0.1). 3501p2_branch(132,0.1). 3502p2_sigma(132,0.1). 3503p2_polarisable(132,0.1). 3504p2_flex(133,0.1). 3505p2_pi_doner(133,0.1). 3506p2_polar(133,0.1). 3507p2_h_doner(133,0.1). 3508p2_h_acceptor(133,0.1). 3509p2_size(133,0.1). 3510p2_pi_acceptor(133,0.1). 3511p2_branch(133,0.1). 3512p2_sigma(133,0.1). 3513p2_polarisable(133,0.1). 3514p2_flex(134,0.1). 3515p2_pi_doner(134,0.1). 3516p2_polar(134,0.1). 3517p2_h_doner(134,0.1). 3518p2_h_acceptor(134,0.1). 3519p2_size(134,0.1). 3520p2_pi_acceptor(134,0.1). 3521p2_branch(134,0.1). 3522p2_sigma(134,0.1). 3523p2_polarisable(134,0.1). 3524p2_flex(135,0.1). 3525p2_pi_doner(135,0.1). 3526p2_polar(135,0.1). 3527p2_h_doner(135,0.1). 3528p2_h_acceptor(135,0.1). 3529p2_size(135,0.1). 3530p2_pi_acceptor(135,0.1). 3531p2_branch(135,0.1). 3532p2_sigma(135,0.1). 3533p2_polarisable(135,0.1). 3534p2_flex(136,0.1). 3535p2_pi_doner(136,0.1). 3536p2_polar(136,0.1). 3537p2_h_doner(136,0.1). 3538p2_h_acceptor(136,0.1). 3539p2_size(136,0.1). 3540p2_pi_acceptor(136,0.1). 3541p2_branch(136,0.1). 3542p2_sigma(136,0.1). 3543p2_polarisable(136,0.1). 3544p2_flex(137,0.1). 3545p2_pi_doner(137,0.1). 3546p2_polar(137,0.1). 3547p2_h_doner(137,0.1). 3548p2_h_acceptor(137,0.1). 3549p2_size(137,0.1). 3550p2_pi_acceptor(137,0.1). 3551p2_branch(137,0.1). 3552p2_sigma(137,0.1). 3553p2_polarisable(137,0.1). 3554p2_flex(138,0.1). 3555p2_pi_doner(138,0.1). 3556p2_polar(138,0.1). 3557p2_h_doner(138,0.1). 3558p2_h_acceptor(138,0.1). 3559p2_size(138,0.1). 3560p2_pi_acceptor(138,0.1). 3561p2_branch(138,0.1). 3562p2_sigma(138,0.1). 3563p2_polarisable(138,0.1). 3564p2_flex(139,0.1). 3565p2_pi_doner(139,0.1). 3566p2_polar(139,0.1). 3567p2_h_doner(139,0.1). 3568p2_h_acceptor(139,0.1). 3569p2_size(139,0.1). 3570p2_pi_acceptor(139,0.1). 3571p2_branch(139,0.1). 3572p2_sigma(139,0.1). 3573p2_polarisable(139,0.1). 3574p2_flex(140,0.1). 3575p2_pi_doner(140,0.1). 3576p2_polar(140,0.1). 3577p2_h_doner(140,0.1). 3578p2_h_acceptor(140,0.1). 3579p2_size(140,0.1). 3580p2_pi_acceptor(140,0.1). 3581p2_branch(140,0.1). 3582p2_sigma(140,0.1). 3583p2_polarisable(140,0.1). 3584p2_flex(141,0.1). 3585p2_pi_doner(141,0.1). 3586p2_polar(141,0.1). 3587p2_h_doner(141,0.1). 3588p2_h_acceptor(141,0.1). 3589p2_size(141,0.1). 3590p2_pi_acceptor(141,0.1). 3591p2_branch(141,0.1). 3592p2_sigma(141,0.1). 3593p2_polarisable(141,0.1). 3594p2_flex(142,0.1). 3595p2_pi_doner(142,0.1). 3596p2_polar(142,0.1). 3597p2_h_doner(142,0.1). 3598p2_h_acceptor(142,0.1). 3599p2_size(142,0.1). 3600p2_pi_acceptor(142,0.1). 3601p2_branch(142,0.1). 3602p2_sigma(142,0.1). 3603p2_polarisable(142,0.1). 3604p2_flex(143,0.1). 3605p2_pi_doner(143,0.1). 3606p2_polar(143,0.1). 3607p2_h_doner(143,0.1). 3608p2_h_acceptor(143,0.1). 3609p2_size(143,0.1). 3610p2_pi_acceptor(143,0.1). 3611p2_branch(143,0.1). 3612p2_sigma(143,0.1). 3613p2_polarisable(143,0.1). 3614p2_flex(144,0.1). 3615p2_pi_doner(144,0.1). 3616p2_polar(144,0.1). 3617p2_h_doner(144,0.1). 3618p2_h_acceptor(144,0.1). 3619p2_size(144,0.1). 3620p2_pi_acceptor(144,0.1). 3621p2_branch(144,0.1). 3622p2_sigma(144,0.1). 3623p2_polarisable(144,0.1). 3624p2_flex(145,0.1). 3625p2_pi_doner(145,0.1). 3626p2_polar(145,0.1). 3627p2_h_doner(145,0.1). 3628p2_h_acceptor(145,0.1). 3629p2_size(145,0.1). 3630p2_pi_acceptor(145,0.1). 3631p2_branch(145,0.1). 3632p2_sigma(145,0.1). 3633p2_polarisable(145,0.1). 3634p2_flex(146,0.1). 3635p2_pi_doner(146,0.1). 3636p2_polar(146,0.1). 3637p2_h_doner(146,0.1). 3638p2_h_acceptor(146,0.1). 3639p2_size(146,0.1). 3640p2_pi_acceptor(146,0.1). 3641p2_branch(146,0.1). 3642p2_sigma(146,0.1). 3643p2_polarisable(146,0.1). 3644p2_flex(147,0.1). 3645p2_pi_doner(147,0.1). 3646p2_polar(147,0.1). 3647p2_h_doner(147,0.1). 3648p2_h_acceptor(147,0.1). 3649p2_size(147,0.1). 3650p2_pi_acceptor(147,0.1). 3651p2_branch(147,0.1). 3652p2_sigma(147,0.1). 3653p2_polarisable(147,0.1). 3654p2_flex(148,0.1). 3655p2_pi_doner(148,0.1). 3656p2_polar(148,0.1). 3657p2_h_doner(148,0.1). 3658p2_h_acceptor(148,0.1). 3659p2_size(148,0.1). 3660p2_pi_acceptor(148,0.1). 3661p2_branch(148,0.1). 3662p2_sigma(148,0.1). 3663p2_polarisable(148,0.1). 3664p2_flex(149,0.1). 3665p2_pi_doner(149,0.1). 3666p2_polar(149,0.1). 3667p2_h_doner(149,0.1). 3668p2_h_acceptor(149,0.1). 3669p2_size(149,0.1). 3670p2_pi_acceptor(149,0.1). 3671p2_branch(149,0.1). 3672p2_sigma(149,0.1). 3673p2_polarisable(149,0.1). 3674p2_flex(150,0.1). 3675p2_pi_doner(150,0.1). 3676p2_polar(150,0.1). 3677p2_h_doner(150,0.1). 3678p2_h_acceptor(150,0.1). 3679p2_size(150,0.1). 3680p2_pi_acceptor(150,0.1). 3681p2_branch(150,0.1). 3682p2_sigma(150,0.1). 3683p2_polarisable(150,0.1). 3684p2_flex(151,0.1). 3685p2_pi_doner(151,0.1). 3686p2_polar(151,0.1). 3687p2_h_doner(151,0.1). 3688p2_h_acceptor(151,0.1). 3689p2_size(151,0.1). 3690p2_pi_acceptor(151,0.1). 3691p2_branch(151,0.1). 3692p2_sigma(151,0.1). 3693p2_polarisable(151,0.1). 3694p2_flex(152,0.1). 3695p2_pi_doner(152,0.1). 3696p2_polar(152,0.1). 3697p2_h_doner(152,0.1). 3698p2_h_acceptor(152,0.1). 3699p2_size(152,0.1). 3700p2_pi_acceptor(152,0.1). 3701p2_branch(152,0.1). 3702p2_sigma(152,0.1). 3703p2_polarisable(152,0.1). 3704p2_flex(153,0.1). 3705p2_pi_doner(153,0.1). 3706p2_polar(153,0.1). 3707p2_h_doner(153,0.1). 3708p2_h_acceptor(153,0.1). 3709p2_size(153,0.1). 3710p2_pi_acceptor(153,0.1). 3711p2_branch(153,0.1). 3712p2_sigma(153,0.1). 3713p2_polarisable(153,0.1). 3714p2_flex(154,0.1). 3715p2_pi_doner(154,0.1). 3716p2_polar(154,0.1). 3717p2_h_doner(154,0.1). 3718p2_h_acceptor(154,0.1). 3719p2_size(154,0.1). 3720p2_pi_acceptor(154,0.1). 3721p2_branch(154,0.1). 3722p2_sigma(154,0.1). 3723p2_polarisable(154,0.1). 3724p2_flex(155,0.1). 3725p2_pi_doner(155,0.1). 3726p2_polar(155,0.1). 3727p2_h_doner(155,0.1). 3728p2_h_acceptor(155,0.1). 3729p2_size(155,0.1). 3730p2_pi_acceptor(155,0.1). 3731p2_branch(155,0.1). 3732p2_sigma(155,0.1). 3733p2_polarisable(155,0.1). 3734p2_flex(156,0.1). 3735p2_pi_doner(156,0.1). 3736p2_polar(156,0.1). 3737p2_h_doner(156,0.1). 3738p2_h_acceptor(156,0.1). 3739p2_size(156,0.1). 3740p2_pi_acceptor(156,0.1). 3741p2_branch(156,0.1). 3742p2_sigma(156,0.1). 3743p2_polarisable(156,0.1). 3744p2_flex(157,0.1). 3745p2_pi_doner(157,0.1). 3746p2_polar(157,0.1). 3747p2_h_doner(157,0.1). 3748p2_h_acceptor(157,0.1). 3749p2_size(157,0.1). 3750p2_pi_acceptor(157,0.1). 3751p2_branch(157,0.1). 3752p2_sigma(157,0.1). 3753p2_polarisable(157,0.1). 3754p2_flex(158,0.1). 3755p2_pi_doner(158,0.1). 3756p2_polar(158,0.1). 3757p2_h_doner(158,0.1). 3758p2_h_acceptor(158,0.1). 3759p2_size(158,0.1). 3760p2_pi_acceptor(158,0.1). 3761p2_branch(158,0.1). 3762p2_sigma(158,0.1). 3763p2_polarisable(158,0.1). 3764p2_flex(159,0.1). 3765p2_pi_doner(159,0.1). 3766p2_polar(159,0.1). 3767p2_h_doner(159,0.1). 3768p2_h_acceptor(159,0.1). 3769p2_size(159,0.1). 3770p2_pi_acceptor(159,0.1). 3771p2_branch(159,0.1). 3772p2_sigma(159,0.1). 3773p2_polarisable(159,0.1). 3774p2_flex(160,0.1). 3775p2_pi_doner(160,0.1). 3776p2_polar(160,0.1). 3777p2_h_doner(160,0.1). 3778p2_h_acceptor(160,0.1). 3779p2_size(160,0.1). 3780p2_pi_acceptor(160,0.1). 3781p2_branch(160,0.1). 3782p2_sigma(160,0.1). 3783p2_polarisable(160,0.1). 3784p2_flex(161,0.1). 3785p2_pi_doner(161,0.1). 3786p2_polar(161,0.1). 3787p2_h_doner(161,0.1). 3788p2_h_acceptor(161,0.1). 3789p2_size(161,0.1). 3790p2_pi_acceptor(161,0.1). 3791p2_branch(161,0.1). 3792p2_sigma(161,0.1). 3793p2_polarisable(161,0.1). 3794p2_flex(162,0.1). 3795p2_pi_doner(162,0.1). 3796p2_polar(162,0.1). 3797p2_h_doner(162,0.1). 3798p2_h_acceptor(162,0.1). 3799p2_size(162,0.1). 3800p2_pi_acceptor(162,0.1). 3801p2_branch(162,0.1). 3802p2_sigma(162,0.1). 3803p2_polarisable(162,0.1). 3804p2_flex(163,0.1). 3805p2_pi_doner(163,0.1). 3806p2_polar(163,0.1). 3807p2_h_doner(163,0.1). 3808p2_h_acceptor(163,0.1). 3809p2_size(163,0.1). 3810p2_pi_acceptor(163,0.1). 3811p2_branch(163,0.1). 3812p2_sigma(163,0.1). 3813p2_polarisable(163,0.1). 3814p2_flex(164,0.1). 3815p2_pi_doner(164,0.1). 3816p2_polar(164,0.1). 3817p2_h_doner(164,0.1). 3818p2_h_acceptor(164,0.1). 3819p2_size(164,0.1). 3820p2_pi_acceptor(164,0.1). 3821p2_branch(164,0.1). 3822p2_sigma(164,0.1). 3823p2_polarisable(164,0.1). 3824p2_flex(165,0.1). 3825p2_pi_doner(165,0.1). 3826p2_polar(165,0.1). 3827p2_h_doner(165,0.1). 3828p2_h_acceptor(165,0.1). 3829p2_size(165,0.1). 3830p2_pi_acceptor(165,0.1). 3831p2_branch(165,0.1). 3832p2_sigma(165,0.1). 3833p2_polarisable(165,0.1). 3834p2_flex(166,0.1). 3835p2_pi_doner(166,0.1). 3836p2_polar(166,0.1). 3837p2_h_doner(166,0.1). 3838p2_h_acceptor(166,0.1). 3839p2_size(166,0.1). 3840p2_pi_acceptor(166,0.1). 3841p2_branch(166,0.1). 3842p2_sigma(166,0.1). 3843p2_polarisable(166,0.1). 3844p2_flex(167,0.1). 3845p2_pi_doner(167,0.1). 3846p2_polar(167,0.1). 3847p2_h_doner(167,0.1). 3848p2_h_acceptor(167,0.1). 3849p2_size(167,0.1). 3850p2_pi_acceptor(167,0.1). 3851p2_branch(167,0.1). 3852p2_sigma(167,0.1). 3853p2_polarisable(167,0.1). 3854p2_flex(168,0.1). 3855p2_pi_doner(168,0.1). 3856p2_polar(168,0.1). 3857p2_h_doner(168,0.1). 3858p2_h_acceptor(168,0.1). 3859p2_size(168,0.1). 3860p2_pi_acceptor(168,0.1). 3861p2_branch(168,0.1). 3862p2_sigma(168,0.1). 3863p2_polarisable(168,0.1). 3864p2_flex(169,0.1). 3865p2_pi_doner(169,0.1). 3866p2_polar(169,0.1). 3867p2_h_doner(169,0.1). 3868p2_h_acceptor(169,0.1). 3869p2_size(169,0.1). 3870p2_pi_acceptor(169,0.1). 3871p2_branch(169,0.1). 3872p2_sigma(169,0.1). 3873p2_polarisable(169,0.1). 3874p2_flex(170,0.1). 3875p2_pi_doner(170,0.1). 3876p2_polar(170,0.1). 3877p2_h_doner(170,0.1). 3878p2_h_acceptor(170,0.1). 3879p2_size(170,0.1). 3880p2_pi_acceptor(170,0.1). 3881p2_branch(170,0.1). 3882p2_sigma(170,0.1). 3883p2_polarisable(170,0.1). 3884p2_flex(171,0.1). 3885p2_pi_doner(171,0.1). 3886p2_polar(171,0.1). 3887p2_h_doner(171,0.1). 3888p2_h_acceptor(171,0.1). 3889p2_size(171,0.1). 3890p2_pi_acceptor(171,0.1). 3891p2_branch(171,0.1). 3892p2_sigma(171,0.1). 3893p2_polarisable(171,0.1). 3894p2_flex(172,0.1). 3895p2_pi_doner(172,0.1). 3896p2_polar(172,0.1). 3897p2_h_doner(172,0.1). 3898p2_h_acceptor(172,0.1). 3899p2_size(172,0.1). 3900p2_pi_acceptor(172,0.1). 3901p2_branch(172,0.1). 3902p2_sigma(172,0.1). 3903p2_polarisable(172,0.1). 3904p2_flex(173,0.1). 3905p2_pi_doner(173,0.1). 3906p2_polar(173,0.1). 3907p2_h_doner(173,0.1). 3908p2_h_acceptor(173,0.1). 3909p2_size(173,0.1). 3910p2_pi_acceptor(173,0.1). 3911p2_branch(173,0.1). 3912p2_sigma(173,0.1). 3913p2_polarisable(173,0.1). 3914p2_flex(174,0.1). 3915p2_pi_doner(174,0.1). 3916p2_polar(174,0.1). 3917p2_h_doner(174,0.1). 3918p2_h_acceptor(174,0.1). 3919p2_size(174,0.1). 3920p2_pi_acceptor(174,0.1). 3921p2_branch(174,0.1). 3922p2_sigma(174,0.1). 3923p2_polarisable(174,0.1). 3924p2_flex(175,0.1). 3925p2_pi_doner(175,0.1). 3926p2_polar(175,0.1). 3927p2_h_doner(175,0.1). 3928p2_h_acceptor(175,0.1). 3929p2_size(175,0.1). 3930p2_pi_acceptor(175,0.1). 3931p2_branch(175,0.1). 3932p2_sigma(175,0.1). 3933p2_polarisable(175,0.1). 3934p2_flex(176,0.1). 3935p2_pi_doner(176,0.1). 3936p2_polar(176,0.1). 3937p2_h_doner(176,0.1). 3938p2_h_acceptor(176,0.1). 3939p2_size(176,0.1). 3940p2_pi_acceptor(176,0.1). 3941p2_branch(176,0.1). 3942p2_sigma(176,0.1). 3943p2_polarisable(176,0.1). 3944p2_flex(177,0.1). 3945p2_pi_doner(177,0.1). 3946p2_polar(177,0.1). 3947p2_h_doner(177,0.1). 3948p2_h_acceptor(177,0.1). 3949p2_size(177,0.1). 3950p2_pi_acceptor(177,0.1). 3951p2_branch(177,0.1). 3952p2_sigma(177,0.1). 3953p2_polarisable(177,0.1). 3954p2_flex(178,0.1). 3955p2_pi_doner(178,0.1). 3956p2_polar(178,0.1). 3957p2_h_doner(178,0.1). 3958p2_h_acceptor(178,0.1). 3959p2_size(178,0.1). 3960p2_pi_acceptor(178,0.1). 3961p2_branch(178,0.1). 3962p2_sigma(178,0.1). 3963p2_polarisable(178,0.1). 3964p2_flex(179,0.1). 3965p2_pi_doner(179,0.1). 3966p2_polar(179,0.1). 3967p2_h_doner(179,0.1). 3968p2_h_acceptor(179,0.1). 3969p2_size(179,0.1). 3970p2_pi_acceptor(179,0.1). 3971p2_branch(179,0.1). 3972p2_sigma(179,0.1). 3973p2_polarisable(179,0.1). 3974p2_flex(180,0.1). 3975p2_pi_doner(180,0.1). 3976p2_polar(180,0.1). 3977p2_h_doner(180,0.1). 3978p2_h_acceptor(180,0.1). 3979p2_size(180,0.1). 3980p2_pi_acceptor(180,0.1). 3981p2_branch(180,0.1). 3982p2_sigma(180,0.1). 3983p2_polarisable(180,0.1). 3984p2_flex(181,0.1). 3985p2_pi_doner(181,0.1). 3986p2_polar(181,0.1). 3987p2_h_doner(181,0.1). 3988p2_h_acceptor(181,0.1). 3989p2_size(181,0.1). 3990p2_pi_acceptor(181,0.1). 3991p2_branch(181,0.1). 3992p2_sigma(181,0.1). 3993p2_polarisable(181,0.1). 3994p2_flex(182,0.1). 3995p2_pi_doner(182,0.1). 3996p2_polar(182,0.1). 3997p2_h_doner(182,0.1). 3998p2_h_acceptor(182,0.1). 3999p2_size(182,0.1). 4000p2_pi_acceptor(182,0.1). 4001p2_branch(182,0.1). 4002p2_sigma(182,0.1). 4003p2_polarisable(182,0.1). 4004p2_flex(183,0.1). 4005p2_pi_doner(183,0.1). 4006p2_polar(183,0.1). 4007p2_h_doner(183,0.1). 4008p2_h_acceptor(183,0.1). 4009p2_size(183,0.1). 4010p2_pi_acceptor(183,0.1). 4011p2_branch(183,0.1). 4012p2_sigma(183,0.1). 4013p2_polarisable(183,0.1). 4014p2_flex(184,0.1). 4015p2_pi_doner(184,0.1). 4016p2_polar(184,0.58). 4017p2_h_doner(184,0.1). 4018p2_h_acceptor(184,0.9). 4019p2_size(184,0.9). 4020p2_pi_acceptor(184,0.5). 4021p2_branch(184,0.9). 4022p2_sigma(184,0.1). 4023p2_polarisable(184,0.5). 4024p2_flex(185,0.1). 4025p2_pi_doner(185,0.1). 4026p2_polar(185,0.1). 4027p2_h_doner(185,0.1). 4028p2_h_acceptor(185,0.1). 4029p2_size(185,0.1). 4030p2_pi_acceptor(185,0.1). 4031p2_branch(185,0.1). 4032p2_sigma(185,0.1). 4033p2_polarisable(185,0.1). 4034p2_flex(186,0.1). 4035p2_pi_doner(186,0.1). 4036p2_polar(186,0.1). 4037p2_h_doner(186,0.1). 4038p2_h_acceptor(186,0.1). 4039p2_size(186,0.1). 4040p2_pi_acceptor(186,0.1). 4041p2_branch(186,0.1). 4042p2_sigma(186,0.1). 4043p2_polarisable(186,0.1). 4044p3_flex(1,0.1). 4045p3_pi_doner(1,0.1). 4046p3_polar(1,0.1). 4047p3_h_doner(1,0.1). 4048p3_h_acceptor(1,0.1). 4049p3_size(1,0.1). 4050p3_pi_acceptor(1,0.1). 4051p3_branch(1,0.1). 4052p3_sigma(1,0.1). 4053p3_polarisable(1,0.1). 4054p3_flex(2,0.1). 4055p3_pi_doner(2,0.1). 4056p3_polar(2,0.1). 4057p3_h_doner(2,0.1). 4058p3_h_acceptor(2,0.1). 4059p3_size(2,0.1). 4060p3_pi_acceptor(2,0.1). 4061p3_branch(2,0.1). 4062p3_sigma(2,0.1). 4063p3_polarisable(2,0.1). 4064p3_flex(3,0.1). 4065p3_pi_doner(3,0.1). 4066p3_polar(3,0.1). 4067p3_h_doner(3,0.1). 4068p3_h_acceptor(3,0.1). 4069p3_size(3,0.1). 4070p3_pi_acceptor(3,0.1). 4071p3_branch(3,0.1). 4072p3_sigma(3,0.1). 4073p3_polarisable(3,0.1). 4074p3_flex(4,0.1). 4075p3_pi_doner(4,0.1). 4076p3_polar(4,0.1). 4077p3_h_doner(4,0.1). 4078p3_h_acceptor(4,0.1). 4079p3_size(4,0.1). 4080p3_pi_acceptor(4,0.1). 4081p3_branch(4,0.1). 4082p3_sigma(4,0.1). 4083p3_polarisable(4,0.1). 4084p3_flex(5,0.1). 4085p3_pi_doner(5,0.1). 4086p3_polar(5,0.1). 4087p3_h_doner(5,0.1). 4088p3_h_acceptor(5,0.1). 4089p3_size(5,0.1). 4090p3_pi_acceptor(5,0.1). 4091p3_branch(5,0.1). 4092p3_sigma(5,0.1). 4093p3_polarisable(5,0.1). 4094p3_flex(6,0.1). 4095p3_pi_doner(6,0.1). 4096p3_polar(6,0.1). 4097p3_h_doner(6,0.1). 4098p3_h_acceptor(6,0.1). 4099p3_size(6,0.1). 4100p3_pi_acceptor(6,0.1). 4101p3_branch(6,0.1). 4102p3_sigma(6,0.1). 4103p3_polarisable(6,0.1). 4104p3_flex(7,0.1). 4105p3_pi_doner(7,0.1). 4106p3_polar(7,0.1). 4107p3_h_doner(7,0.1). 4108p3_h_acceptor(7,0.1). 4109p3_size(7,0.1). 4110p3_pi_acceptor(7,0.1). 4111p3_branch(7,0.1). 4112p3_sigma(7,0.1). 4113p3_polarisable(7,0.1). 4114p3_flex(8,0.1). 4115p3_pi_doner(8,0.1). 4116p3_polar(8,0.1). 4117p3_h_doner(8,0.1). 4118p3_h_acceptor(8,0.1). 4119p3_size(8,0.1). 4120p3_pi_acceptor(8,0.1). 4121p3_branch(8,0.1). 4122p3_sigma(8,0.1). 4123p3_polarisable(8,0.1). 4124p3_flex(9,0.1). 4125p3_pi_doner(9,0.1). 4126p3_polar(9,0.1). 4127p3_h_doner(9,0.1). 4128p3_h_acceptor(9,0.1). 4129p3_size(9,0.1). 4130p3_pi_acceptor(9,0.1). 4131p3_branch(9,0.1). 4132p3_sigma(9,0.1). 4133p3_polarisable(9,0.1). 4134p3_flex(10,0.1). 4135p3_pi_doner(10,0.1). 4136p3_polar(10,0.1). 4137p3_h_doner(10,0.1). 4138p3_h_acceptor(10,0.1). 4139p3_size(10,0.1). 4140p3_pi_acceptor(10,0.1). 4141p3_branch(10,0.1). 4142p3_sigma(10,0.1). 4143p3_polarisable(10,0.1). 4144p3_flex(11,0.1). 4145p3_pi_doner(11,0.1). 4146p3_polar(11,0.1). 4147p3_h_doner(11,0.1). 4148p3_h_acceptor(11,0.1). 4149p3_size(11,0.1). 4150p3_pi_acceptor(11,0.1). 4151p3_branch(11,0.1). 4152p3_sigma(11,0.1). 4153p3_polarisable(11,0.1). 4154p3_flex(12,0.1). 4155p3_pi_doner(12,0.1). 4156p3_polar(12,0.1). 4157p3_h_doner(12,0.1). 4158p3_h_acceptor(12,0.1). 4159p3_size(12,0.1). 4160p3_pi_acceptor(12,0.1). 4161p3_branch(12,0.1). 4162p3_sigma(12,0.1). 4163p3_polarisable(12,0.1). 4164p3_flex(13,0.1). 4165p3_pi_doner(13,0.1). 4166p3_polar(13,0.1). 4167p3_h_doner(13,0.1). 4168p3_h_acceptor(13,0.1). 4169p3_size(13,0.1). 4170p3_pi_acceptor(13,0.1). 4171p3_branch(13,0.1). 4172p3_sigma(13,0.1). 4173p3_polarisable(13,0.1). 4174p3_flex(14,0.1). 4175p3_pi_doner(14,0.1). 4176p3_polar(14,0.1). 4177p3_h_doner(14,0.1). 4178p3_h_acceptor(14,0.1). 4179p3_size(14,0.1). 4180p3_pi_acceptor(14,0.1). 4181p3_branch(14,0.1). 4182p3_sigma(14,0.1). 4183p3_polarisable(14,0.1). 4184p3_flex(15,0.1). 4185p3_pi_doner(15,0.1). 4186p3_polar(15,0.1). 4187p3_h_doner(15,0.1). 4188p3_h_acceptor(15,0.1). 4189p3_size(15,0.1). 4190p3_pi_acceptor(15,0.1). 4191p3_branch(15,0.1). 4192p3_sigma(15,0.1). 4193p3_polarisable(15,0.1). 4194p3_flex(16,0.1). 4195p3_pi_doner(16,0.1). 4196p3_polar(16,0.1). 4197p3_h_doner(16,0.1). 4198p3_h_acceptor(16,0.1). 4199p3_size(16,0.1). 4200p3_pi_acceptor(16,0.1). 4201p3_branch(16,0.1). 4202p3_sigma(16,0.1). 4203p3_polarisable(16,0.1). 4204p3_flex(17,0.1). 4205p3_pi_doner(17,0.1). 4206p3_polar(17,0.1). 4207p3_h_doner(17,0.1). 4208p3_h_acceptor(17,0.1). 4209p3_size(17,0.1). 4210p3_pi_acceptor(17,0.1). 4211p3_branch(17,0.1). 4212p3_sigma(17,0.1). 4213p3_polarisable(17,0.1). 4214p3_flex(18,0.1). 4215p3_pi_doner(18,0.1). 4216p3_polar(18,0.1). 4217p3_h_doner(18,0.1). 4218p3_h_acceptor(18,0.1). 4219p3_size(18,0.1). 4220p3_pi_acceptor(18,0.1). 4221p3_branch(18,0.1). 4222p3_sigma(18,0.1). 4223p3_polarisable(18,0.1). 4224p3_flex(19,0.1). 4225p3_pi_doner(19,0.1). 4226p3_polar(19,0.1). 4227p3_h_doner(19,0.1). 4228p3_h_acceptor(19,0.1). 4229p3_size(19,0.1). 4230p3_pi_acceptor(19,0.1). 4231p3_branch(19,0.1). 4232p3_sigma(19,0.1). 4233p3_polarisable(19,0.1). 4234p3_flex(20,0.1). 4235p3_pi_doner(20,0.1). 4236p3_polar(20,0.1). 4237p3_h_doner(20,0.1). 4238p3_h_acceptor(20,0.1). 4239p3_size(20,0.1). 4240p3_pi_acceptor(20,0.1). 4241p3_branch(20,0.1). 4242p3_sigma(20,0.1). 4243p3_polarisable(20,0.1). 4244p3_flex(21,0.1). 4245p3_pi_doner(21,0.1). 4246p3_polar(21,0.1). 4247p3_h_doner(21,0.1). 4248p3_h_acceptor(21,0.1). 4249p3_size(21,0.1). 4250p3_pi_acceptor(21,0.1). 4251p3_branch(21,0.1). 4252p3_sigma(21,0.1). 4253p3_polarisable(21,0.1). 4254p3_flex(22,0.1). 4255p3_pi_doner(22,0.1). 4256p3_polar(22,0.1). 4257p3_h_doner(22,0.1). 4258p3_h_acceptor(22,0.1). 4259p3_size(22,0.1). 4260p3_pi_acceptor(22,0.1). 4261p3_branch(22,0.1). 4262p3_sigma(22,0.1). 4263p3_polarisable(22,0.1). 4264p3_flex(23,0.1). 4265p3_pi_doner(23,0.1). 4266p3_polar(23,0.1). 4267p3_h_doner(23,0.1). 4268p3_h_acceptor(23,0.1). 4269p3_size(23,0.1). 4270p3_pi_acceptor(23,0.1). 4271p3_branch(23,0.1). 4272p3_sigma(23,0.1). 4273p3_polarisable(23,0.1). 4274p3_flex(24,0.1). 4275p3_pi_doner(24,0.1). 4276p3_polar(24,0.1). 4277p3_h_doner(24,0.1). 4278p3_h_acceptor(24,0.1). 4279p3_size(24,0.1). 4280p3_pi_acceptor(24,0.1). 4281p3_branch(24,0.1). 4282p3_sigma(24,0.1). 4283p3_polarisable(24,0.1). 4284p3_flex(25,0.1). 4285p3_pi_doner(25,0.1). 4286p3_polar(25,0.1). 4287p3_h_doner(25,0.1). 4288p3_h_acceptor(25,0.1). 4289p3_size(25,0.1). 4290p3_pi_acceptor(25,0.1). 4291p3_branch(25,0.1). 4292p3_sigma(25,0.1). 4293p3_polarisable(25,0.1). 4294p3_flex(26,0.1). 4295p3_pi_doner(26,0.1). 4296p3_polar(26,0.1). 4297p3_h_doner(26,0.1). 4298p3_h_acceptor(26,0.1). 4299p3_size(26,0.1). 4300p3_pi_acceptor(26,0.1). 4301p3_branch(26,0.1). 4302p3_sigma(26,0.1). 4303p3_polarisable(26,0.1). 4304p3_flex(27,0.1). 4305p3_pi_doner(27,0.1). 4306p3_polar(27,0.1). 4307p3_h_doner(27,0.1). 4308p3_h_acceptor(27,0.1). 4309p3_size(27,0.1). 4310p3_pi_acceptor(27,0.1). 4311p3_branch(27,0.1). 4312p3_sigma(27,0.1). 4313p3_polarisable(27,0.1). 4314p3_flex(28,0.1). 4315p3_pi_doner(28,0.1). 4316p3_polar(28,0.1). 4317p3_h_doner(28,0.1). 4318p3_h_acceptor(28,0.1). 4319p3_size(28,0.1). 4320p3_pi_acceptor(28,0.1). 4321p3_branch(28,0.1). 4322p3_sigma(28,0.1). 4323p3_polarisable(28,0.1). 4324p3_flex(29,0.1). 4325p3_pi_doner(29,0.1). 4326p3_polar(29,0.1). 4327p3_h_doner(29,0.1). 4328p3_h_acceptor(29,0.1). 4329p3_size(29,0.1). 4330p3_pi_acceptor(29,0.1). 4331p3_branch(29,0.1). 4332p3_sigma(29,0.1). 4333p3_polarisable(29,0.1). 4334p3_flex(30,0.1). 4335p3_pi_doner(30,0.1). 4336p3_polar(30,0.1). 4337p3_h_doner(30,0.1). 4338p3_h_acceptor(30,0.1). 4339p3_size(30,0.1). 4340p3_pi_acceptor(30,0.1). 4341p3_branch(30,0.1). 4342p3_sigma(30,0.1). 4343p3_polarisable(30,0.1). 4344p3_flex(31,0.1). 4345p3_pi_doner(31,0.1). 4346p3_polar(31,0.1). 4347p3_h_doner(31,0.1). 4348p3_h_acceptor(31,0.1). 4349p3_size(31,0.1). 4350p3_pi_acceptor(31,0.1). 4351p3_branch(31,0.1). 4352p3_sigma(31,0.1). 4353p3_polarisable(31,0.1). 4354p3_flex(32,0.1). 4355p3_pi_doner(32,0.1). 4356p3_polar(32,0.1). 4357p3_h_doner(32,0.1). 4358p3_h_acceptor(32,0.1). 4359p3_size(32,0.1). 4360p3_pi_acceptor(32,0.1). 4361p3_branch(32,0.1). 4362p3_sigma(32,0.1). 4363p3_polarisable(32,0.1). 4364p3_flex(33,0.1). 4365p3_pi_doner(33,0.1). 4366p3_polar(33,0.1). 4367p3_h_doner(33,0.1). 4368p3_h_acceptor(33,0.1). 4369p3_size(33,0.1). 4370p3_pi_acceptor(33,0.1). 4371p3_branch(33,0.1). 4372p3_sigma(33,0.1). 4373p3_polarisable(33,0.1). 4374p3_flex(34,0.1). 4375p3_pi_doner(34,0.1). 4376p3_polar(34,0.1). 4377p3_h_doner(34,0.1). 4378p3_h_acceptor(34,0.1). 4379p3_size(34,0.1). 4380p3_pi_acceptor(34,0.1). 4381p3_branch(34,0.1). 4382p3_sigma(34,0.1). 4383p3_polarisable(34,0.1). 4384p3_flex(35,0.1). 4385p3_pi_doner(35,0.1). 4386p3_polar(35,0.1). 4387p3_h_doner(35,0.1). 4388p3_h_acceptor(35,0.1). 4389p3_size(35,0.1). 4390p3_pi_acceptor(35,0.1). 4391p3_branch(35,0.1). 4392p3_sigma(35,0.1). 4393p3_polarisable(35,0.1). 4394p3_flex(36,0.1). 4395p3_pi_doner(36,0.1). 4396p3_polar(36,0.1). 4397p3_h_doner(36,0.1). 4398p3_h_acceptor(36,0.1). 4399p3_size(36,0.1). 4400p3_pi_acceptor(36,0.1). 4401p3_branch(36,0.1). 4402p3_sigma(36,0.1). 4403p3_polarisable(36,0.1). 4404p3_flex(37,0.1). 4405p3_pi_doner(37,0.1). 4406p3_polar(37,0.1). 4407p3_h_doner(37,0.1). 4408p3_h_acceptor(37,0.1). 4409p3_size(37,0.1). 4410p3_pi_acceptor(37,0.1). 4411p3_branch(37,0.1). 4412p3_sigma(37,0.1). 4413p3_polarisable(37,0.1). 4414p3_flex(38,0.1). 4415p3_pi_doner(38,0.1). 4416p3_polar(38,0.1). 4417p3_h_doner(38,0.1). 4418p3_h_acceptor(38,0.1). 4419p3_size(38,0.1). 4420p3_pi_acceptor(38,0.1). 4421p3_branch(38,0.1). 4422p3_sigma(38,0.1). 4423p3_polarisable(38,0.1). 4424p3_flex(39,0.1). 4425p3_pi_doner(39,0.1). 4426p3_polar(39,0.1). 4427p3_h_doner(39,0.1). 4428p3_h_acceptor(39,0.1). 4429p3_size(39,0.1). 4430p3_pi_acceptor(39,0.1). 4431p3_branch(39,0.1). 4432p3_sigma(39,0.1). 4433p3_polarisable(39,0.1). 4434p3_flex(40,0.1). 4435p3_pi_doner(40,0.1). 4436p3_polar(40,0.1). 4437p3_h_doner(40,0.1). 4438p3_h_acceptor(40,0.1). 4439p3_size(40,0.1). 4440p3_pi_acceptor(40,0.1). 4441p3_branch(40,0.1). 4442p3_sigma(40,0.1). 4443p3_polarisable(40,0.1). 4444p3_flex(41,0.1). 4445p3_pi_doner(41,0.1). 4446p3_polar(41,0.1). 4447p3_h_doner(41,0.1). 4448p3_h_acceptor(41,0.1). 4449p3_size(41,0.1). 4450p3_pi_acceptor(41,0.1). 4451p3_branch(41,0.1). 4452p3_sigma(41,0.1). 4453p3_polarisable(41,0.1). 4454p3_flex(42,0.1). 4455p3_pi_doner(42,0.1). 4456p3_polar(42,0.1). 4457p3_h_doner(42,0.1). 4458p3_h_acceptor(42,0.1). 4459p3_size(42,0.1). 4460p3_pi_acceptor(42,0.1). 4461p3_branch(42,0.1). 4462p3_sigma(42,0.1). 4463p3_polarisable(42,0.1). 4464p3_flex(43,0.1). 4465p3_pi_doner(43,0.1). 4466p3_polar(43,0.1). 4467p3_h_doner(43,0.1). 4468p3_h_acceptor(43,0.1). 4469p3_size(43,0.1). 4470p3_pi_acceptor(43,0.1). 4471p3_branch(43,0.1). 4472p3_sigma(43,0.1). 4473p3_polarisable(43,0.1). 4474p3_flex(44,0.1). 4475p3_pi_doner(44,0.1). 4476p3_polar(44,0.1). 4477p3_h_doner(44,0.1). 4478p3_h_acceptor(44,0.1). 4479p3_size(44,0.1). 4480p3_pi_acceptor(44,0.1). 4481p3_branch(44,0.1). 4482p3_sigma(44,0.1). 4483p3_polarisable(44,0.1). 4484p3_flex(45,0.1). 4485p3_pi_doner(45,0.1). 4486p3_polar(45,0.1). 4487p3_h_doner(45,0.1). 4488p3_h_acceptor(45,0.1). 4489p3_size(45,0.1). 4490p3_pi_acceptor(45,0.1). 4491p3_branch(45,0.1). 4492p3_sigma(45,0.1). 4493p3_polarisable(45,0.1). 4494p3_flex(46,0.1). 4495p3_pi_doner(46,0.1). 4496p3_polar(46,0.1). 4497p3_h_doner(46,0.1). 4498p3_h_acceptor(46,0.1). 4499p3_size(46,0.1). 4500p3_pi_acceptor(46,0.1). 4501p3_branch(46,0.1). 4502p3_sigma(46,0.1). 4503p3_polarisable(46,0.1). 4504p3_flex(47,0.1). 4505p3_pi_doner(47,0.1). 4506p3_polar(47,0.1). 4507p3_h_doner(47,0.1). 4508p3_h_acceptor(47,0.1). 4509p3_size(47,0.1). 4510p3_pi_acceptor(47,0.1). 4511p3_branch(47,0.1). 4512p3_sigma(47,0.1). 4513p3_polarisable(47,0.1). 4514p3_flex(48,0.1). 4515p3_pi_doner(48,0.1). 4516p3_polar(48,0.1). 4517p3_h_doner(48,0.1). 4518p3_h_acceptor(48,0.1). 4519p3_size(48,0.1). 4520p3_pi_acceptor(48,0.1). 4521p3_branch(48,0.1). 4522p3_sigma(48,0.1). 4523p3_polarisable(48,0.1). 4524p3_flex(49,0.1). 4525p3_pi_doner(49,0.1). 4526p3_polar(49,0.1). 4527p3_h_doner(49,0.1). 4528p3_h_acceptor(49,0.1). 4529p3_size(49,0.1). 4530p3_pi_acceptor(49,0.1). 4531p3_branch(49,0.1). 4532p3_sigma(49,0.1). 4533p3_polarisable(49,0.1). 4534p3_flex(50,0.1). 4535p3_pi_doner(50,0.1). 4536p3_polar(50,0.1). 4537p3_h_doner(50,0.1). 4538p3_h_acceptor(50,0.1). 4539p3_size(50,0.1). 4540p3_pi_acceptor(50,0.1). 4541p3_branch(50,0.1). 4542p3_sigma(50,0.1). 4543p3_polarisable(50,0.1). 4544p3_flex(51,0.1). 4545p3_pi_doner(51,0.1). 4546p3_polar(51,0.1). 4547p3_h_doner(51,0.1). 4548p3_h_acceptor(51,0.1). 4549p3_size(51,0.1). 4550p3_pi_acceptor(51,0.1). 4551p3_branch(51,0.1). 4552p3_sigma(51,0.1). 4553p3_polarisable(51,0.1). 4554p3_flex(52,0.1). 4555p3_pi_doner(52,0.1). 4556p3_polar(52,0.1). 4557p3_h_doner(52,0.1). 4558p3_h_acceptor(52,0.1). 4559p3_size(52,0.1). 4560p3_pi_acceptor(52,0.1). 4561p3_branch(52,0.1). 4562p3_sigma(52,0.1). 4563p3_polarisable(52,0.1). 4564p3_flex(53,0.1). 4565p3_pi_doner(53,0.1). 4566p3_polar(53,0.1). 4567p3_h_doner(53,0.1). 4568p3_h_acceptor(53,0.1). 4569p3_size(53,0.1). 4570p3_pi_acceptor(53,0.1). 4571p3_branch(53,0.1). 4572p3_sigma(53,0.1). 4573p3_polarisable(53,0.1). 4574p3_flex(54,0.1). 4575p3_pi_doner(54,0.1). 4576p3_polar(54,0.1). 4577p3_h_doner(54,0.1). 4578p3_h_acceptor(54,0.1). 4579p3_size(54,0.1). 4580p3_pi_acceptor(54,0.1). 4581p3_branch(54,0.1). 4582p3_sigma(54,0.1). 4583p3_polarisable(54,0.1). 4584p3_flex(55,0.1). 4585p3_pi_doner(55,0.1). 4586p3_polar(55,0.1). 4587p3_h_doner(55,0.1). 4588p3_h_acceptor(55,0.1). 4589p3_size(55,0.1). 4590p3_pi_acceptor(55,0.1). 4591p3_branch(55,0.1). 4592p3_sigma(55,0.1). 4593p3_polarisable(55,0.1). 4594p3_flex(56,0.1). 4595p3_pi_doner(56,0.1). 4596p3_polar(56,0.1). 4597p3_h_doner(56,0.1). 4598p3_h_acceptor(56,0.1). 4599p3_size(56,0.1). 4600p3_pi_acceptor(56,0.1). 4601p3_branch(56,0.1). 4602p3_sigma(56,0.1). 4603p3_polarisable(56,0.1). 4604p3_flex(57,0.1). 4605p3_pi_doner(57,0.1). 4606p3_polar(57,0.1). 4607p3_h_doner(57,0.1). 4608p3_h_acceptor(57,0.1). 4609p3_size(57,0.1). 4610p3_pi_acceptor(57,0.1). 4611p3_branch(57,0.1). 4612p3_sigma(57,0.1). 4613p3_polarisable(57,0.1). 4614p3_flex(58,0.1). 4615p3_pi_doner(58,0.1). 4616p3_polar(58,0.1). 4617p3_h_doner(58,0.1). 4618p3_h_acceptor(58,0.1). 4619p3_size(58,0.1). 4620p3_pi_acceptor(58,0.1). 4621p3_branch(58,0.1). 4622p3_sigma(58,0.1). 4623p3_polarisable(58,0.1). 4624p3_flex(59,0.1). 4625p3_pi_doner(59,0.1). 4626p3_polar(59,0.1). 4627p3_h_doner(59,0.1). 4628p3_h_acceptor(59,0.1). 4629p3_size(59,0.1). 4630p3_pi_acceptor(59,0.1). 4631p3_branch(59,0.1). 4632p3_sigma(59,0.1). 4633p3_polarisable(59,0.1). 4634p3_flex(60,0.1). 4635p3_pi_doner(60,0.1). 4636p3_polar(60,0.1). 4637p3_h_doner(60,0.1). 4638p3_h_acceptor(60,0.1). 4639p3_size(60,0.1). 4640p3_pi_acceptor(60,0.1). 4641p3_branch(60,0.1). 4642p3_sigma(60,0.1). 4643p3_polarisable(60,0.1). 4644p3_flex(61,0.1). 4645p3_pi_doner(61,0.1). 4646p3_polar(61,0.1). 4647p3_h_doner(61,0.1). 4648p3_h_acceptor(61,0.1). 4649p3_size(61,0.1). 4650p3_pi_acceptor(61,0.1). 4651p3_branch(61,0.1). 4652p3_sigma(61,0.1). 4653p3_polarisable(61,0.1). 4654p3_flex(62,0.1). 4655p3_pi_doner(62,0.1). 4656p3_polar(62,0.1). 4657p3_h_doner(62,0.1). 4658p3_h_acceptor(62,0.1). 4659p3_size(62,0.1). 4660p3_pi_acceptor(62,0.1). 4661p3_branch(62,0.1). 4662p3_sigma(62,0.1). 4663p3_polarisable(62,0.1). 4664p3_flex(63,0.1). 4665p3_pi_doner(63,0.1). 4666p3_polar(63,0.1). 4667p3_h_doner(63,0.1). 4668p3_h_acceptor(63,0.1). 4669p3_size(63,0.1). 4670p3_pi_acceptor(63,0.1). 4671p3_branch(63,0.1). 4672p3_sigma(63,0.1). 4673p3_polarisable(63,0.1). 4674p3_flex(64,0.1). 4675p3_pi_doner(64,0.1). 4676p3_polar(64,0.1). 4677p3_h_doner(64,0.1). 4678p3_h_acceptor(64,0.1). 4679p3_size(64,0.1). 4680p3_pi_acceptor(64,0.1). 4681p3_branch(64,0.1). 4682p3_sigma(64,0.1). 4683p3_polarisable(64,0.1). 4684p3_flex(65,0.1). 4685p3_pi_doner(65,0.1). 4686p3_polar(65,0.1). 4687p3_h_doner(65,0.1). 4688p3_h_acceptor(65,0.1). 4689p3_size(65,0.1). 4690p3_pi_acceptor(65,0.1). 4691p3_branch(65,0.1). 4692p3_sigma(65,0.1). 4693p3_polarisable(65,0.1). 4694p3_flex(66,0.1). 4695p3_pi_doner(66,0.1). 4696p3_polar(66,0.1). 4697p3_h_doner(66,0.1). 4698p3_h_acceptor(66,0.1). 4699p3_size(66,0.1). 4700p3_pi_acceptor(66,0.1). 4701p3_branch(66,0.1). 4702p3_sigma(66,0.1). 4703p3_polarisable(66,0.1). 4704p3_flex(67,0.1). 4705p3_pi_doner(67,0.1). 4706p3_polar(67,0.1). 4707p3_h_doner(67,0.1). 4708p3_h_acceptor(67,0.1). 4709p3_size(67,0.1). 4710p3_pi_acceptor(67,0.1). 4711p3_branch(67,0.1). 4712p3_sigma(67,0.1). 4713p3_polarisable(67,0.1). 4714p3_flex(68,0.1). 4715p3_pi_doner(68,0.1). 4716p3_polar(68,0.1). 4717p3_h_doner(68,0.1). 4718p3_h_acceptor(68,0.1). 4719p3_size(68,0.1). 4720p3_pi_acceptor(68,0.1). 4721p3_branch(68,0.1). 4722p3_sigma(68,0.1). 4723p3_polarisable(68,0.1). 4724p3_flex(69,0.1). 4725p3_pi_doner(69,0.1). 4726p3_polar(69,0.1). 4727p3_h_doner(69,0.1). 4728p3_h_acceptor(69,0.1). 4729p3_size(69,0.1). 4730p3_pi_acceptor(69,0.1). 4731p3_branch(69,0.1). 4732p3_sigma(69,0.1). 4733p3_polarisable(69,0.1). 4734p3_flex(70,0.1). 4735p3_pi_doner(70,0.1). 4736p3_polar(70,0.1). 4737p3_h_doner(70,0.1). 4738p3_h_acceptor(70,0.1). 4739p3_size(70,0.1). 4740p3_pi_acceptor(70,0.1). 4741p3_branch(70,0.1). 4742p3_sigma(70,0.1). 4743p3_polarisable(70,0.1). 4744p3_flex(71,0.1). 4745p3_pi_doner(71,0.1). 4746p3_polar(71,0.1). 4747p3_h_doner(71,0.1). 4748p3_h_acceptor(71,0.1). 4749p3_size(71,0.1). 4750p3_pi_acceptor(71,0.1). 4751p3_branch(71,0.1). 4752p3_sigma(71,0.1). 4753p3_polarisable(71,0.1). 4754p3_flex(72,0.1). 4755p3_pi_doner(72,0.1). 4756p3_polar(72,0.3). 4757p3_h_doner(72,0.1). 4758p3_h_acceptor(72,0.1). 4759p3_size(72,0.1). 4760p3_pi_acceptor(72,0.1). 4761p3_branch(72,0.1). 4762p3_sigma(72,0.1). 4763p3_polarisable(72,0.1). 4764p3_flex(73,0.1). 4765p3_pi_doner(73,0.1). 4766p3_polar(73,0.3). 4767p3_h_doner(73,0.1). 4768p3_h_acceptor(73,0.1). 4769p3_size(73,0.1). 4770p3_pi_acceptor(73,0.1). 4771p3_branch(73,0.1). 4772p3_sigma(73,0.1). 4773p3_polarisable(73,0.1). 4774p3_flex(74,0.1). 4775p3_pi_doner(74,0.1). 4776p3_polar(74,0.3). 4777p3_h_doner(74,0.1). 4778p3_h_acceptor(74,0.1). 4779p3_size(74,0.1). 4780p3_pi_acceptor(74,0.1). 4781p3_branch(74,0.1). 4782p3_sigma(74,0.1). 4783p3_polarisable(74,0.1). 4784p3_flex(75,0.9). 4785p3_pi_doner(75,0.9). 4786p3_polar(75,0.5). 4787p3_h_doner(75,0.9). 4788p3_h_acceptor(75,0.9). 4789p3_size(75,0.9). 4790p3_pi_acceptor(75,0.1). 4791p3_branch(75,0.5). 4792p3_sigma(75,0.367). 4793p3_polarisable(75,0.5). 4794p3_flex(76,0.1). 4795p3_pi_doner(76,0.1). 4796p3_polar(76,0.9). 4797p3_h_doner(76,0.1). 4798p3_h_acceptor(76,0.1). 4799p3_size(76,0.633). 4800p3_pi_acceptor(76,0.9). 4801p3_branch(76,0.9). 4802p3_sigma(76,0.633). 4803p3_polarisable(76,0.9). 4804p3_flex(77,0.1). 4805p3_pi_doner(77,0.1). 4806p3_polar(77,0.9). 4807p3_h_doner(77,0.1). 4808p3_h_acceptor(77,0.1). 4809p3_size(77,0.633). 4810p3_pi_acceptor(77,0.9). 4811p3_branch(77,0.9). 4812p3_sigma(77,0.633). 4813p3_polarisable(77,0.9). 4814p3_flex(78,0.1). 4815p3_pi_doner(78,0.1). 4816p3_polar(78,0.1). 4817p3_h_doner(78,0.1). 4818p3_h_acceptor(78,0.1). 4819p3_size(78,0.1). 4820p3_pi_acceptor(78,0.1). 4821p3_branch(78,0.1). 4822p3_sigma(78,0.1). 4823p3_polarisable(78,0.1). 4824p3_flex(79,0.1). 4825p3_pi_doner(79,0.1). 4826p3_polar(79,0.1). 4827p3_h_doner(79,0.1). 4828p3_h_acceptor(79,0.1). 4829p3_size(79,0.1). 4830p3_pi_acceptor(79,0.1). 4831p3_branch(79,0.1). 4832p3_sigma(79,0.1). 4833p3_polarisable(79,0.1). 4834p3_flex(80,0.1). 4835p3_pi_doner(80,0.1). 4836p3_polar(80,0.3). 4837p3_h_doner(80,0.1). 4838p3_h_acceptor(80,0.1). 4839p3_size(80,0.1). 4840p3_pi_acceptor(80,0.1). 4841p3_branch(80,0.1). 4842p3_sigma(80,0.1). 4843p3_polarisable(80,0.1). 4844p3_flex(81,0.9). 4845p3_pi_doner(81,0.9). 4846p3_polar(81,0.5). 4847p3_h_doner(81,0.9). 4848p3_h_acceptor(81,0.9). 4849p3_size(81,0.9). 4850p3_pi_acceptor(81,0.1). 4851p3_branch(81,0.5). 4852p3_sigma(81,0.367). 4853p3_polarisable(81,0.5). 4854p3_flex(82,0.1). 4855p3_pi_doner(82,0.1). 4856p3_polar(82,0.9). 4857p3_h_doner(82,0.1). 4858p3_h_acceptor(82,0.1). 4859p3_size(82,0.633). 4860p3_pi_acceptor(82,0.9). 4861p3_branch(82,0.9). 4862p3_sigma(82,0.633). 4863p3_polarisable(82,0.9). 4864p3_flex(83,0.1). 4865p3_pi_doner(83,0.1). 4866p3_polar(83,0.9). 4867p3_h_doner(83,0.1). 4868p3_h_acceptor(83,0.1). 4869p3_size(83,0.633). 4870p3_pi_acceptor(83,0.9). 4871p3_branch(83,0.9). 4872p3_sigma(83,0.633). 4873p3_polarisable(83,0.9). 4874p3_flex(84,0.1). 4875p3_pi_doner(84,0.1). 4876p3_polar(84,0.3). 4877p3_h_doner(84,0.1). 4878p3_h_acceptor(84,0.1). 4879p3_size(84,0.1). 4880p3_pi_acceptor(84,0.1). 4881p3_branch(84,0.1). 4882p3_sigma(84,0.1). 4883p3_polarisable(84,0.1). 4884p3_flex(85,0.1). 4885p3_pi_doner(85,0.1). 4886p3_polar(85,0.9). 4887p3_h_doner(85,0.1). 4888p3_h_acceptor(85,0.1). 4889p3_size(85,0.633). 4890p3_pi_acceptor(85,0.9). 4891p3_branch(85,0.9). 4892p3_sigma(85,0.633). 4893p3_polarisable(85,0.9). 4894p3_flex(86,0.1). 4895p3_pi_doner(86,0.1). 4896p3_polar(86,0.3). 4897p3_h_doner(86,0.1). 4898p3_h_acceptor(86,0.1). 4899p3_size(86,0.1). 4900p3_pi_acceptor(86,0.1). 4901p3_branch(86,0.1). 4902p3_sigma(86,0.1). 4903p3_polarisable(86,0.1). 4904p3_flex(87,0.1). 4905p3_pi_doner(87,0.1). 4906p3_polar(87,0.7). 4907p3_h_doner(87,0.1). 4908p3_h_acceptor(87,0.1). 4909p3_size(87,0.367). 4910p3_pi_acceptor(87,0.1). 4911p3_branch(87,0.1). 4912p3_sigma(87,0.9). 4913p3_polarisable(87,0.5). 4914p3_flex(88,0.1). 4915p3_pi_doner(88,0.1). 4916p3_polar(88,0.1). 4917p3_h_doner(88,0.1). 4918p3_h_acceptor(88,0.1). 4919p3_size(88,0.1). 4920p3_pi_acceptor(88,0.1). 4921p3_branch(88,0.1). 4922p3_sigma(88,0.1). 4923p3_polarisable(88,0.1). 4924p3_flex(89,0.1). 4925p3_pi_doner(89,0.1). 4926p3_polar(89,0.3). 4927p3_h_doner(89,0.1). 4928p3_h_acceptor(89,0.1). 4929p3_size(89,0.1). 4930p3_pi_acceptor(89,0.1). 4931p3_branch(89,0.1). 4932p3_sigma(89,0.1). 4933p3_polarisable(89,0.1). 4934p3_flex(90,0.9). 4935p3_pi_doner(90,0.9). 4936p3_polar(90,0.5). 4937p3_h_doner(90,0.9). 4938p3_h_acceptor(90,0.9). 4939p3_size(90,0.9). 4940p3_pi_acceptor(90,0.1). 4941p3_branch(90,0.5). 4942p3_sigma(90,0.367). 4943p3_polarisable(90,0.5). 4944p3_flex(91,0.1). 4945p3_pi_doner(91,0.1). 4946p3_polar(91,0.1). 4947p3_h_doner(91,0.1). 4948p3_h_acceptor(91,0.1). 4949p3_size(91,0.1). 4950p3_pi_acceptor(91,0.1). 4951p3_branch(91,0.1). 4952p3_sigma(91,0.1). 4953p3_polarisable(91,0.1). 4954p3_flex(92,0.1). 4955p3_pi_doner(92,0.1). 4956p3_polar(92,0.9). 4957p3_h_doner(92,0.1). 4958p3_h_acceptor(92,0.1). 4959p3_size(92,0.633). 4960p3_pi_acceptor(92,0.9). 4961p3_branch(92,0.9). 4962p3_sigma(92,0.633). 4963p3_polarisable(92,0.9). 4964p3_flex(93,0.1). 4965p3_pi_doner(93,0.1). 4966p3_polar(93,0.3). 4967p3_h_doner(93,0.1). 4968p3_h_acceptor(93,0.1). 4969p3_size(93,0.1). 4970p3_pi_acceptor(93,0.1). 4971p3_branch(93,0.1). 4972p3_sigma(93,0.1). 4973p3_polarisable(93,0.1). 4974p3_flex(94,0.1). 4975p3_pi_doner(94,0.1). 4976p3_polar(94,0.3). 4977p3_h_doner(94,0.1). 4978p3_h_acceptor(94,0.1). 4979p3_size(94,0.1). 4980p3_pi_acceptor(94,0.1). 4981p3_branch(94,0.1). 4982p3_sigma(94,0.1). 4983p3_polarisable(94,0.1). 4984p3_flex(95,0.1). 4985p3_pi_doner(95,0.1). 4986p3_polar(95,0.1). 4987p3_h_doner(95,0.1). 4988p3_h_acceptor(95,0.1). 4989p3_size(95,0.1). 4990p3_pi_acceptor(95,0.1). 4991p3_branch(95,0.1). 4992p3_sigma(95,0.1). 4993p3_polarisable(95,0.1). 4994p3_flex(96,0.1). 4995p3_pi_doner(96,0.1). 4996p3_polar(96,0.9). 4997p3_h_doner(96,0.1). 4998p3_h_acceptor(96,0.1). 4999p3_size(96,0.633). 5000p3_pi_acceptor(96,0.9). 5001p3_branch(96,0.9). 5002p3_sigma(96,0.633). 5003p3_polarisable(96,0.9). 5004p3_flex(97,0.1). 5005p3_pi_doner(97,0.1). 5006p3_polar(97,0.9). 5007p3_h_doner(97,0.1). 5008p3_h_acceptor(97,0.1). 5009p3_size(97,0.633). 5010p3_pi_acceptor(97,0.9). 5011p3_branch(97,0.9). 5012p3_sigma(97,0.633). 5013p3_polarisable(97,0.9). 5014p3_flex(98,0.1). 5015p3_pi_doner(98,0.1). 5016p3_polar(98,0.3). 5017p3_h_doner(98,0.1). 5018p3_h_acceptor(98,0.1). 5019p3_size(98,0.1). 5020p3_pi_acceptor(98,0.1). 5021p3_branch(98,0.1). 5022p3_sigma(98,0.1). 5023p3_polarisable(98,0.1). 5024p3_flex(99,0.1). 5025p3_pi_doner(99,0.1). 5026p3_polar(99,0.9). 5027p3_h_doner(99,0.1). 5028p3_h_acceptor(99,0.1). 5029p3_size(99,0.633). 5030p3_pi_acceptor(99,0.9). 5031p3_branch(99,0.9). 5032p3_sigma(99,0.633). 5033p3_polarisable(99,0.9). 5034p3_flex(100,0.9). 5035p3_pi_doner(100,0.9). 5036p3_polar(100,0.5). 5037p3_h_doner(100,0.9). 5038p3_h_acceptor(100,0.9). 5039p3_size(100,0.9). 5040p3_pi_acceptor(100,0.1). 5041p3_branch(100,0.5). 5042p3_sigma(100,0.367). 5043p3_polarisable(100,0.5). 5044p3_flex(101,0.1). 5045p3_pi_doner(101,0.1). 5046p3_polar(101,0.9). 5047p3_h_doner(101,0.1). 5048p3_h_acceptor(101,0.1). 5049p3_size(101,0.633). 5050p3_pi_acceptor(101,0.9). 5051p3_branch(101,0.9). 5052p3_sigma(101,0.633). 5053p3_polarisable(101,0.9). 5054p3_flex(102,0.1). 5055p3_pi_doner(102,0.1). 5056p3_polar(102,0.9). 5057p3_h_doner(102,0.1). 5058p3_h_acceptor(102,0.1). 5059p3_size(102,0.633). 5060p3_pi_acceptor(102,0.9). 5061p3_branch(102,0.9). 5062p3_sigma(102,0.633). 5063p3_polarisable(102,0.9). 5064p3_flex(103,0.1). 5065p3_pi_doner(103,0.1). 5066p3_polar(103,0.3). 5067p3_h_doner(103,0.1). 5068p3_h_acceptor(103,0.1). 5069p3_size(103,0.1). 5070p3_pi_acceptor(103,0.1). 5071p3_branch(103,0.1). 5072p3_sigma(103,0.1). 5073p3_polarisable(103,0.1). 5074p3_flex(104,0.9). 5075p3_pi_doner(104,0.9). 5076p3_polar(104,0.5). 5077p3_h_doner(104,0.9). 5078p3_h_acceptor(104,0.9). 5079p3_size(104,0.9). 5080p3_pi_acceptor(104,0.1). 5081p3_branch(104,0.5). 5082p3_sigma(104,0.367). 5083p3_polarisable(104,0.5). 5084p3_flex(105,0.1). 5085p3_pi_doner(105,0.1). 5086p3_polar(105,0.9). 5087p3_h_doner(105,0.1). 5088p3_h_acceptor(105,0.1). 5089p3_size(105,0.633). 5090p3_pi_acceptor(105,0.9). 5091p3_branch(105,0.9). 5092p3_sigma(105,0.633). 5093p3_polarisable(105,0.9). 5094p3_flex(106,0.1). 5095p3_pi_doner(106,0.1). 5096p3_polar(106,0.9). 5097p3_h_doner(106,0.1). 5098p3_h_acceptor(106,0.1). 5099p3_size(106,0.633). 5100p3_pi_acceptor(106,0.9). 5101p3_branch(106,0.9). 5102p3_sigma(106,0.633). 5103p3_polarisable(106,0.9). 5104p3_flex(107,0.1). 5105p3_pi_doner(107,0.1). 5106p3_polar(107,0.3). 5107p3_h_doner(107,0.1). 5108p3_h_acceptor(107,0.1). 5109p3_size(107,0.1). 5110p3_pi_acceptor(107,0.1). 5111p3_branch(107,0.1). 5112p3_sigma(107,0.1). 5113p3_polarisable(107,0.1). 5114p3_flex(108,0.1). 5115p3_pi_doner(108,0.1). 5116p3_polar(108,0.1). 5117p3_h_doner(108,0.1). 5118p3_h_acceptor(108,0.1). 5119p3_size(108,0.1). 5120p3_pi_acceptor(108,0.1). 5121p3_branch(108,0.1). 5122p3_sigma(108,0.1). 5123p3_polarisable(108,0.1). 5124p3_flex(109,0.1). 5125p3_pi_doner(109,0.1). 5126p3_polar(109,0.3). 5127p3_h_doner(109,0.1). 5128p3_h_acceptor(109,0.1). 5129p3_size(109,0.1). 5130p3_pi_acceptor(109,0.1). 5131p3_branch(109,0.1). 5132p3_sigma(109,0.1). 5133p3_polarisable(109,0.1). 5134p3_flex(110,0.1). 5135p3_pi_doner(110,0.1). 5136p3_polar(110,0.3). 5137p3_h_doner(110,0.1). 5138p3_h_acceptor(110,0.1). 5139p3_size(110,0.1). 5140p3_pi_acceptor(110,0.1). 5141p3_branch(110,0.1). 5142p3_sigma(110,0.1). 5143p3_polarisable(110,0.1). 5144p3_flex(111,0.1). 5145p3_pi_doner(111,0.1). 5146p3_polar(111,0.3). 5147p3_h_doner(111,0.1). 5148p3_h_acceptor(111,0.1). 5149p3_size(111,0.1). 5150p3_pi_acceptor(111,0.1). 5151p3_branch(111,0.1). 5152p3_sigma(111,0.1). 5153p3_polarisable(111,0.1). 5154p3_flex(112,0.1). 5155p3_pi_doner(112,0.1). 5156p3_polar(112,0.3). 5157p3_h_doner(112,0.1). 5158p3_h_acceptor(112,0.1). 5159p3_size(112,0.1). 5160p3_pi_acceptor(112,0.1). 5161p3_branch(112,0.1). 5162p3_sigma(112,0.1). 5163p3_polarisable(112,0.1). 5164p3_flex(113,0.1). 5165p3_pi_doner(113,0.1). 5166p3_polar(113,0.3). 5167p3_h_doner(113,0.1). 5168p3_h_acceptor(113,0.1). 5169p3_size(113,0.1). 5170p3_pi_acceptor(113,0.1). 5171p3_branch(113,0.1). 5172p3_sigma(113,0.1). 5173p3_polarisable(113,0.1). 5174p3_flex(114,0.1). 5175p3_pi_doner(114,0.1). 5176p3_polar(114,0.3). 5177p3_h_doner(114,0.1). 5178p3_h_acceptor(114,0.1). 5179p3_size(114,0.1). 5180p3_pi_acceptor(114,0.1). 5181p3_branch(114,0.1). 5182p3_sigma(114,0.1). 5183p3_polarisable(114,0.1). 5184p3_flex(115,0.1). 5185p3_pi_doner(115,0.1). 5186p3_polar(115,0.1). 5187p3_h_doner(115,0.1). 5188p3_h_acceptor(115,0.1). 5189p3_size(115,0.1). 5190p3_pi_acceptor(115,0.1). 5191p3_branch(115,0.1). 5192p3_sigma(115,0.1). 5193p3_polarisable(115,0.1). 5194p3_flex(116,0.1). 5195p3_pi_doner(116,0.1). 5196p3_polar(116,0.3). 5197p3_h_doner(116,0.1). 5198p3_h_acceptor(116,0.1). 5199p3_size(116,0.1). 5200p3_pi_acceptor(116,0.1). 5201p3_branch(116,0.1). 5202p3_sigma(116,0.1). 5203p3_polarisable(116,0.1). 5204p3_flex(117,0.1). 5205p3_pi_doner(117,0.1). 5206p3_polar(117,0.9). 5207p3_h_doner(117,0.1). 5208p3_h_acceptor(117,0.1). 5209p3_size(117,0.633). 5210p3_pi_acceptor(117,0.9). 5211p3_branch(117,0.9). 5212p3_sigma(117,0.633). 5213p3_polarisable(117,0.9). 5214p3_flex(118,0.1). 5215p3_pi_doner(118,0.1). 5216p3_polar(118,0.9). 5217p3_h_doner(118,0.1). 5218p3_h_acceptor(118,0.1). 5219p3_size(118,0.633). 5220p3_pi_acceptor(118,0.9). 5221p3_branch(118,0.9). 5222p3_sigma(118,0.633). 5223p3_polarisable(118,0.9). 5224p3_flex(119,0.1). 5225p3_pi_doner(119,0.1). 5226p3_polar(119,0.1). 5227p3_h_doner(119,0.1). 5228p3_h_acceptor(119,0.1). 5229p3_size(119,0.1). 5230p3_pi_acceptor(119,0.1). 5231p3_branch(119,0.1). 5232p3_sigma(119,0.1). 5233p3_polarisable(119,0.1). 5234p3_flex(120,0.1). 5235p3_pi_doner(120,0.1). 5236p3_polar(120,0.3). 5237p3_h_doner(120,0.1). 5238p3_h_acceptor(120,0.1). 5239p3_size(120,0.1). 5240p3_pi_acceptor(120,0.1). 5241p3_branch(120,0.1). 5242p3_sigma(120,0.1). 5243p3_polarisable(120,0.1). 5244p3_flex(121,0.1). 5245p3_pi_doner(121,0.1). 5246p3_polar(121,0.1). 5247p3_h_doner(121,0.1). 5248p3_h_acceptor(121,0.1). 5249p3_size(121,0.1). 5250p3_pi_acceptor(121,0.1). 5251p3_branch(121,0.1). 5252p3_sigma(121,0.1). 5253p3_polarisable(121,0.1). 5254p3_flex(122,0.1). 5255p3_pi_doner(122,0.1). 5256p3_polar(122,0.1). 5257p3_h_doner(122,0.1). 5258p3_h_acceptor(122,0.1). 5259p3_size(122,0.1). 5260p3_pi_acceptor(122,0.1). 5261p3_branch(122,0.1). 5262p3_sigma(122,0.1). 5263p3_polarisable(122,0.1). 5264p3_flex(123,0.1). 5265p3_pi_doner(123,0.1). 5266p3_polar(123,0.9). 5267p3_h_doner(123,0.1). 5268p3_h_acceptor(123,0.1). 5269p3_size(123,0.633). 5270p3_pi_acceptor(123,0.9). 5271p3_branch(123,0.9). 5272p3_sigma(123,0.633). 5273p3_polarisable(123,0.9). 5274p3_flex(124,0.1). 5275p3_pi_doner(124,0.1). 5276p3_polar(124,0.1). 5277p3_h_doner(124,0.1). 5278p3_h_acceptor(124,0.1). 5279p3_size(124,0.1). 5280p3_pi_acceptor(124,0.1). 5281p3_branch(124,0.1). 5282p3_sigma(124,0.1). 5283p3_polarisable(124,0.1). 5284p3_flex(125,0.1). 5285p3_pi_doner(125,0.1). 5286p3_polar(125,0.1). 5287p3_h_doner(125,0.1). 5288p3_h_acceptor(125,0.1). 5289p3_size(125,0.1). 5290p3_pi_acceptor(125,0.1). 5291p3_branch(125,0.1). 5292p3_sigma(125,0.1). 5293p3_polarisable(125,0.1). 5294p3_flex(126,0.1). 5295p3_pi_doner(126,0.1). 5296p3_polar(126,0.1). 5297p3_h_doner(126,0.1). 5298p3_h_acceptor(126,0.1). 5299p3_size(126,0.1). 5300p3_pi_acceptor(126,0.1). 5301p3_branch(126,0.1). 5302p3_sigma(126,0.1). 5303p3_polarisable(126,0.1). 5304p3_flex(127,0.1). 5305p3_pi_doner(127,0.1). 5306p3_polar(127,0.1). 5307p3_h_doner(127,0.1). 5308p3_h_acceptor(127,0.1). 5309p3_size(127,0.1). 5310p3_pi_acceptor(127,0.1). 5311p3_branch(127,0.1). 5312p3_sigma(127,0.1). 5313p3_polarisable(127,0.1). 5314p3_flex(128,0.1). 5315p3_pi_doner(128,0.1). 5316p3_polar(128,0.1). 5317p3_h_doner(128,0.1). 5318p3_h_acceptor(128,0.1). 5319p3_size(128,0.1). 5320p3_pi_acceptor(128,0.1). 5321p3_branch(128,0.1). 5322p3_sigma(128,0.1). 5323p3_polarisable(128,0.1). 5324p3_flex(129,0.1). 5325p3_pi_doner(129,0.1). 5326p3_polar(129,0.1). 5327p3_h_doner(129,0.1). 5328p3_h_acceptor(129,0.1). 5329p3_size(129,0.1). 5330p3_pi_acceptor(129,0.1). 5331p3_branch(129,0.1). 5332p3_sigma(129,0.1). 5333p3_polarisable(129,0.1). 5334p3_flex(130,0.1). 5335p3_pi_doner(130,0.1). 5336p3_polar(130,0.1). 5337p3_h_doner(130,0.1). 5338p3_h_acceptor(130,0.1). 5339p3_size(130,0.1). 5340p3_pi_acceptor(130,0.1). 5341p3_branch(130,0.1). 5342p3_sigma(130,0.1). 5343p3_polarisable(130,0.1). 5344p3_flex(131,0.1). 5345p3_pi_doner(131,0.1). 5346p3_polar(131,0.1). 5347p3_h_doner(131,0.1). 5348p3_h_acceptor(131,0.1). 5349p3_size(131,0.1). 5350p3_pi_acceptor(131,0.1). 5351p3_branch(131,0.1). 5352p3_sigma(131,0.1). 5353p3_polarisable(131,0.1). 5354p3_flex(132,0.1). 5355p3_pi_doner(132,0.1). 5356p3_polar(132,0.1). 5357p3_h_doner(132,0.1). 5358p3_h_acceptor(132,0.1). 5359p3_size(132,0.1). 5360p3_pi_acceptor(132,0.1). 5361p3_branch(132,0.1). 5362p3_sigma(132,0.1). 5363p3_polarisable(132,0.1). 5364p3_flex(133,0.1). 5365p3_pi_doner(133,0.1). 5366p3_polar(133,0.1). 5367p3_h_doner(133,0.1). 5368p3_h_acceptor(133,0.1). 5369p3_size(133,0.1). 5370p3_pi_acceptor(133,0.1). 5371p3_branch(133,0.1). 5372p3_sigma(133,0.1). 5373p3_polarisable(133,0.1). 5374p3_flex(134,0.1). 5375p3_pi_doner(134,0.1). 5376p3_polar(134,0.1). 5377p3_h_doner(134,0.1). 5378p3_h_acceptor(134,0.1). 5379p3_size(134,0.1). 5380p3_pi_acceptor(134,0.1). 5381p3_branch(134,0.1). 5382p3_sigma(134,0.1). 5383p3_polarisable(134,0.1). 5384p3_flex(135,0.1). 5385p3_pi_doner(135,0.1). 5386p3_polar(135,0.1). 5387p3_h_doner(135,0.1). 5388p3_h_acceptor(135,0.1). 5389p3_size(135,0.1). 5390p3_pi_acceptor(135,0.1). 5391p3_branch(135,0.1). 5392p3_sigma(135,0.1). 5393p3_polarisable(135,0.1). 5394p3_flex(136,0.1). 5395p3_pi_doner(136,0.1). 5396p3_polar(136,0.1). 5397p3_h_doner(136,0.1). 5398p3_h_acceptor(136,0.1). 5399p3_size(136,0.1). 5400p3_pi_acceptor(136,0.1). 5401p3_branch(136,0.1). 5402p3_sigma(136,0.1). 5403p3_polarisable(136,0.1). 5404p3_flex(137,0.1). 5405p3_pi_doner(137,0.1). 5406p3_polar(137,0.1). 5407p3_h_doner(137,0.1). 5408p3_h_acceptor(137,0.1). 5409p3_size(137,0.1). 5410p3_pi_acceptor(137,0.1). 5411p3_branch(137,0.1). 5412p3_sigma(137,0.1). 5413p3_polarisable(137,0.1). 5414p3_flex(138,0.1). 5415p3_pi_doner(138,0.1). 5416p3_polar(138,0.1). 5417p3_h_doner(138,0.1). 5418p3_h_acceptor(138,0.1). 5419p3_size(138,0.1). 5420p3_pi_acceptor(138,0.1). 5421p3_branch(138,0.1). 5422p3_sigma(138,0.1). 5423p3_polarisable(138,0.1). 5424p3_flex(139,0.1). 5425p3_pi_doner(139,0.1). 5426p3_polar(139,0.1). 5427p3_h_doner(139,0.1). 5428p3_h_acceptor(139,0.1). 5429p3_size(139,0.1). 5430p3_pi_acceptor(139,0.1). 5431p3_branch(139,0.1). 5432p3_sigma(139,0.1). 5433p3_polarisable(139,0.1). 5434p3_flex(140,0.1). 5435p3_pi_doner(140,0.1). 5436p3_polar(140,0.1). 5437p3_h_doner(140,0.1). 5438p3_h_acceptor(140,0.1). 5439p3_size(140,0.1). 5440p3_pi_acceptor(140,0.1). 5441p3_branch(140,0.1). 5442p3_sigma(140,0.1). 5443p3_polarisable(140,0.1). 5444p3_flex(141,0.1). 5445p3_pi_doner(141,0.1). 5446p3_polar(141,0.1). 5447p3_h_doner(141,0.1). 5448p3_h_acceptor(141,0.1). 5449p3_size(141,0.1). 5450p3_pi_acceptor(141,0.1). 5451p3_branch(141,0.1). 5452p3_sigma(141,0.1). 5453p3_polarisable(141,0.1). 5454p3_flex(142,0.1). 5455p3_pi_doner(142,0.1). 5456p3_polar(142,0.1). 5457p3_h_doner(142,0.1). 5458p3_h_acceptor(142,0.1). 5459p3_size(142,0.1). 5460p3_pi_acceptor(142,0.1). 5461p3_branch(142,0.1). 5462p3_sigma(142,0.1). 5463p3_polarisable(142,0.1). 5464p3_flex(143,0.1). 5465p3_pi_doner(143,0.1). 5466p3_polar(143,0.1). 5467p3_h_doner(143,0.1). 5468p3_h_acceptor(143,0.1). 5469p3_size(143,0.1). 5470p3_pi_acceptor(143,0.1). 5471p3_branch(143,0.1). 5472p3_sigma(143,0.1). 5473p3_polarisable(143,0.1). 5474p3_flex(144,0.1). 5475p3_pi_doner(144,0.1). 5476p3_polar(144,0.1). 5477p3_h_doner(144,0.1). 5478p3_h_acceptor(144,0.1). 5479p3_size(144,0.1). 5480p3_pi_acceptor(144,0.1). 5481p3_branch(144,0.1). 5482p3_sigma(144,0.1). 5483p3_polarisable(144,0.1). 5484p3_flex(145,0.1). 5485p3_pi_doner(145,0.1). 5486p3_polar(145,0.1). 5487p3_h_doner(145,0.1). 5488p3_h_acceptor(145,0.1). 5489p3_size(145,0.1). 5490p3_pi_acceptor(145,0.1). 5491p3_branch(145,0.1). 5492p3_sigma(145,0.1). 5493p3_polarisable(145,0.1). 5494p3_flex(146,0.1). 5495p3_pi_doner(146,0.1). 5496p3_polar(146,0.1). 5497p3_h_doner(146,0.1). 5498p3_h_acceptor(146,0.1). 5499p3_size(146,0.1). 5500p3_pi_acceptor(146,0.1). 5501p3_branch(146,0.1). 5502p3_sigma(146,0.1). 5503p3_polarisable(146,0.1). 5504p3_flex(147,0.1). 5505p3_pi_doner(147,0.1). 5506p3_polar(147,0.1). 5507p3_h_doner(147,0.1). 5508p3_h_acceptor(147,0.1). 5509p3_size(147,0.1). 5510p3_pi_acceptor(147,0.1). 5511p3_branch(147,0.1). 5512p3_sigma(147,0.1). 5513p3_polarisable(147,0.1). 5514p3_flex(148,0.1). 5515p3_pi_doner(148,0.1). 5516p3_polar(148,0.1). 5517p3_h_doner(148,0.1). 5518p3_h_acceptor(148,0.1). 5519p3_size(148,0.1). 5520p3_pi_acceptor(148,0.1). 5521p3_branch(148,0.1). 5522p3_sigma(148,0.1). 5523p3_polarisable(148,0.1). 5524p3_flex(149,0.1). 5525p3_pi_doner(149,0.1). 5526p3_polar(149,0.1). 5527p3_h_doner(149,0.1). 5528p3_h_acceptor(149,0.1). 5529p3_size(149,0.1). 5530p3_pi_acceptor(149,0.1). 5531p3_branch(149,0.1). 5532p3_sigma(149,0.1). 5533p3_polarisable(149,0.1). 5534p3_flex(150,0.1). 5535p3_pi_doner(150,0.1). 5536p3_polar(150,0.1). 5537p3_h_doner(150,0.1). 5538p3_h_acceptor(150,0.1). 5539p3_size(150,0.1). 5540p3_pi_acceptor(150,0.1). 5541p3_branch(150,0.1). 5542p3_sigma(150,0.1). 5543p3_polarisable(150,0.1). 5544p3_flex(151,0.1). 5545p3_pi_doner(151,0.1). 5546p3_polar(151,0.1). 5547p3_h_doner(151,0.1). 5548p3_h_acceptor(151,0.1). 5549p3_size(151,0.1). 5550p3_pi_acceptor(151,0.1). 5551p3_branch(151,0.1). 5552p3_sigma(151,0.1). 5553p3_polarisable(151,0.1). 5554p3_flex(152,0.1). 5555p3_pi_doner(152,0.1). 5556p3_polar(152,0.1). 5557p3_h_doner(152,0.1). 5558p3_h_acceptor(152,0.1). 5559p3_size(152,0.1). 5560p3_pi_acceptor(152,0.1). 5561p3_branch(152,0.1). 5562p3_sigma(152,0.1). 5563p3_polarisable(152,0.1). 5564p3_flex(153,0.1). 5565p3_pi_doner(153,0.1). 5566p3_polar(153,0.1). 5567p3_h_doner(153,0.1). 5568p3_h_acceptor(153,0.1). 5569p3_size(153,0.1). 5570p3_pi_acceptor(153,0.1). 5571p3_branch(153,0.1). 5572p3_sigma(153,0.1). 5573p3_polarisable(153,0.1). 5574p3_flex(154,0.1). 5575p3_pi_doner(154,0.1). 5576p3_polar(154,0.1). 5577p3_h_doner(154,0.1). 5578p3_h_acceptor(154,0.1). 5579p3_size(154,0.1). 5580p3_pi_acceptor(154,0.1). 5581p3_branch(154,0.1). 5582p3_sigma(154,0.1). 5583p3_polarisable(154,0.1). 5584p3_flex(155,0.1). 5585p3_pi_doner(155,0.1). 5586p3_polar(155,0.1). 5587p3_h_doner(155,0.1). 5588p3_h_acceptor(155,0.1). 5589p3_size(155,0.1). 5590p3_pi_acceptor(155,0.1). 5591p3_branch(155,0.1). 5592p3_sigma(155,0.1). 5593p3_polarisable(155,0.1). 5594p3_flex(156,0.1). 5595p3_pi_doner(156,0.1). 5596p3_polar(156,0.1). 5597p3_h_doner(156,0.1). 5598p3_h_acceptor(156,0.1). 5599p3_size(156,0.1). 5600p3_pi_acceptor(156,0.1). 5601p3_branch(156,0.1). 5602p3_sigma(156,0.1). 5603p3_polarisable(156,0.1). 5604p3_flex(157,0.1). 5605p3_pi_doner(157,0.1). 5606p3_polar(157,0.1). 5607p3_h_doner(157,0.1). 5608p3_h_acceptor(157,0.1). 5609p3_size(157,0.1). 5610p3_pi_acceptor(157,0.1). 5611p3_branch(157,0.1). 5612p3_sigma(157,0.1). 5613p3_polarisable(157,0.1). 5614p3_flex(158,0.1). 5615p3_pi_doner(158,0.1). 5616p3_polar(158,0.1). 5617p3_h_doner(158,0.1). 5618p3_h_acceptor(158,0.1). 5619p3_size(158,0.1). 5620p3_pi_acceptor(158,0.1). 5621p3_branch(158,0.1). 5622p3_sigma(158,0.1). 5623p3_polarisable(158,0.1). 5624p3_flex(159,0.1). 5625p3_pi_doner(159,0.1). 5626p3_polar(159,0.1). 5627p3_h_doner(159,0.1). 5628p3_h_acceptor(159,0.1). 5629p3_size(159,0.1). 5630p3_pi_acceptor(159,0.1). 5631p3_branch(159,0.1). 5632p3_sigma(159,0.1). 5633p3_polarisable(159,0.1). 5634p3_flex(160,0.1). 5635p3_pi_doner(160,0.1). 5636p3_polar(160,0.1). 5637p3_h_doner(160,0.1). 5638p3_h_acceptor(160,0.1). 5639p3_size(160,0.1). 5640p3_pi_acceptor(160,0.1). 5641p3_branch(160,0.1). 5642p3_sigma(160,0.1). 5643p3_polarisable(160,0.1). 5644p3_flex(161,0.1). 5645p3_pi_doner(161,0.1). 5646p3_polar(161,0.1). 5647p3_h_doner(161,0.1). 5648p3_h_acceptor(161,0.1). 5649p3_size(161,0.1). 5650p3_pi_acceptor(161,0.1). 5651p3_branch(161,0.1). 5652p3_sigma(161,0.1). 5653p3_polarisable(161,0.1). 5654p3_flex(162,0.1). 5655p3_pi_doner(162,0.1). 5656p3_polar(162,0.1). 5657p3_h_doner(162,0.1). 5658p3_h_acceptor(162,0.1). 5659p3_size(162,0.1). 5660p3_pi_acceptor(162,0.1). 5661p3_branch(162,0.1). 5662p3_sigma(162,0.1). 5663p3_polarisable(162,0.1). 5664p3_flex(163,0.1). 5665p3_pi_doner(163,0.1). 5666p3_polar(163,0.1). 5667p3_h_doner(163,0.1). 5668p3_h_acceptor(163,0.1). 5669p3_size(163,0.1). 5670p3_pi_acceptor(163,0.1). 5671p3_branch(163,0.1). 5672p3_sigma(163,0.1). 5673p3_polarisable(163,0.1). 5674p3_flex(164,0.1). 5675p3_pi_doner(164,0.1). 5676p3_polar(164,0.1). 5677p3_h_doner(164,0.1). 5678p3_h_acceptor(164,0.1). 5679p3_size(164,0.1). 5680p3_pi_acceptor(164,0.1). 5681p3_branch(164,0.1). 5682p3_sigma(164,0.1). 5683p3_polarisable(164,0.1). 5684p3_flex(165,0.1). 5685p3_pi_doner(165,0.1). 5686p3_polar(165,0.1). 5687p3_h_doner(165,0.1). 5688p3_h_acceptor(165,0.1). 5689p3_size(165,0.1). 5690p3_pi_acceptor(165,0.1). 5691p3_branch(165,0.1). 5692p3_sigma(165,0.1). 5693p3_polarisable(165,0.1). 5694p3_flex(166,0.1). 5695p3_pi_doner(166,0.1). 5696p3_polar(166,0.1). 5697p3_h_doner(166,0.1). 5698p3_h_acceptor(166,0.1). 5699p3_size(166,0.1). 5700p3_pi_acceptor(166,0.1). 5701p3_branch(166,0.1). 5702p3_sigma(166,0.1). 5703p3_polarisable(166,0.1). 5704p3_flex(167,0.1). 5705p3_pi_doner(167,0.1). 5706p3_polar(167,0.1). 5707p3_h_doner(167,0.1). 5708p3_h_acceptor(167,0.1). 5709p3_size(167,0.1). 5710p3_pi_acceptor(167,0.1). 5711p3_branch(167,0.1). 5712p3_sigma(167,0.1). 5713p3_polarisable(167,0.1). 5714p3_flex(168,0.1). 5715p3_pi_doner(168,0.1). 5716p3_polar(168,0.1). 5717p3_h_doner(168,0.1). 5718p3_h_acceptor(168,0.1). 5719p3_size(168,0.1). 5720p3_pi_acceptor(168,0.1). 5721p3_branch(168,0.1). 5722p3_sigma(168,0.1). 5723p3_polarisable(168,0.1). 5724p3_flex(169,0.1). 5725p3_pi_doner(169,0.1). 5726p3_polar(169,0.1). 5727p3_h_doner(169,0.1). 5728p3_h_acceptor(169,0.1). 5729p3_size(169,0.1). 5730p3_pi_acceptor(169,0.1). 5731p3_branch(169,0.1). 5732p3_sigma(169,0.1). 5733p3_polarisable(169,0.1). 5734p3_flex(170,0.1). 5735p3_pi_doner(170,0.1). 5736p3_polar(170,0.1). 5737p3_h_doner(170,0.1). 5738p3_h_acceptor(170,0.1). 5739p3_size(170,0.1). 5740p3_pi_acceptor(170,0.1). 5741p3_branch(170,0.1). 5742p3_sigma(170,0.1). 5743p3_polarisable(170,0.1). 5744p3_flex(171,0.1). 5745p3_pi_doner(171,0.1). 5746p3_polar(171,0.1). 5747p3_h_doner(171,0.1). 5748p3_h_acceptor(171,0.1). 5749p3_size(171,0.1). 5750p3_pi_acceptor(171,0.1). 5751p3_branch(171,0.1). 5752p3_sigma(171,0.1). 5753p3_polarisable(171,0.1). 5754p3_flex(172,0.1). 5755p3_pi_doner(172,0.1). 5756p3_polar(172,0.1). 5757p3_h_doner(172,0.1). 5758p3_h_acceptor(172,0.1). 5759p3_size(172,0.1). 5760p3_pi_acceptor(172,0.1). 5761p3_branch(172,0.1). 5762p3_sigma(172,0.1). 5763p3_polarisable(172,0.1). 5764p3_flex(173,0.1). 5765p3_pi_doner(173,0.1). 5766p3_polar(173,0.1). 5767p3_h_doner(173,0.1). 5768p3_h_acceptor(173,0.1). 5769p3_size(173,0.1). 5770p3_pi_acceptor(173,0.1). 5771p3_branch(173,0.1). 5772p3_sigma(173,0.1). 5773p3_polarisable(173,0.1). 5774p3_flex(174,0.1). 5775p3_pi_doner(174,0.1). 5776p3_polar(174,0.1). 5777p3_h_doner(174,0.1). 5778p3_h_acceptor(174,0.1). 5779p3_size(174,0.1). 5780p3_pi_acceptor(174,0.1). 5781p3_branch(174,0.1). 5782p3_sigma(174,0.1). 5783p3_polarisable(174,0.1). 5784p3_flex(175,0.1). 5785p3_pi_doner(175,0.1). 5786p3_polar(175,0.1). 5787p3_h_doner(175,0.1). 5788p3_h_acceptor(175,0.1). 5789p3_size(175,0.1). 5790p3_pi_acceptor(175,0.1). 5791p3_branch(175,0.1). 5792p3_sigma(175,0.1). 5793p3_polarisable(175,0.1). 5794p3_flex(176,0.1). 5795p3_pi_doner(176,0.1). 5796p3_polar(176,0.1). 5797p3_h_doner(176,0.1). 5798p3_h_acceptor(176,0.1). 5799p3_size(176,0.1). 5800p3_pi_acceptor(176,0.1). 5801p3_branch(176,0.1). 5802p3_sigma(176,0.1). 5803p3_polarisable(176,0.1). 5804p3_flex(177,0.1). 5805p3_pi_doner(177,0.1). 5806p3_polar(177,0.1). 5807p3_h_doner(177,0.1). 5808p3_h_acceptor(177,0.1). 5809p3_size(177,0.1). 5810p3_pi_acceptor(177,0.1). 5811p3_branch(177,0.1). 5812p3_sigma(177,0.1). 5813p3_polarisable(177,0.1). 5814p3_flex(178,0.1). 5815p3_pi_doner(178,0.1). 5816p3_polar(178,0.1). 5817p3_h_doner(178,0.1). 5818p3_h_acceptor(178,0.1). 5819p3_size(178,0.1). 5820p3_pi_acceptor(178,0.1). 5821p3_branch(178,0.1). 5822p3_sigma(178,0.1). 5823p3_polarisable(178,0.1). 5824p3_flex(179,0.1). 5825p3_pi_doner(179,0.1). 5826p3_polar(179,0.1). 5827p3_h_doner(179,0.1). 5828p3_h_acceptor(179,0.1). 5829p3_size(179,0.1). 5830p3_pi_acceptor(179,0.1). 5831p3_branch(179,0.1). 5832p3_sigma(179,0.1). 5833p3_polarisable(179,0.1). 5834p3_flex(180,0.1). 5835p3_pi_doner(180,0.1). 5836p3_polar(180,0.1). 5837p3_h_doner(180,0.1). 5838p3_h_acceptor(180,0.1). 5839p3_size(180,0.1). 5840p3_pi_acceptor(180,0.1). 5841p3_branch(180,0.1). 5842p3_sigma(180,0.1). 5843p3_polarisable(180,0.1). 5844p3_flex(181,0.1). 5845p3_pi_doner(181,0.1). 5846p3_polar(181,0.1). 5847p3_h_doner(181,0.1). 5848p3_h_acceptor(181,0.1). 5849p3_size(181,0.1). 5850p3_pi_acceptor(181,0.1). 5851p3_branch(181,0.1). 5852p3_sigma(181,0.1). 5853p3_polarisable(181,0.1). 5854p3_flex(182,0.1). 5855p3_pi_doner(182,0.1). 5856p3_polar(182,0.1). 5857p3_h_doner(182,0.1). 5858p3_h_acceptor(182,0.1). 5859p3_size(182,0.1). 5860p3_pi_acceptor(182,0.1). 5861p3_branch(182,0.1). 5862p3_sigma(182,0.1). 5863p3_polarisable(182,0.1). 5864p3_flex(183,0.1). 5865p3_pi_doner(183,0.1). 5866p3_polar(183,0.1). 5867p3_h_doner(183,0.1). 5868p3_h_acceptor(183,0.1). 5869p3_size(183,0.1). 5870p3_pi_acceptor(183,0.1). 5871p3_branch(183,0.1). 5872p3_sigma(183,0.1). 5873p3_polarisable(183,0.1). 5874p3_flex(184,0.1). 5875p3_pi_doner(184,0.1). 5876p3_polar(184,0.3). 5877p3_h_doner(184,0.1). 5878p3_h_acceptor(184,0.1). 5879p3_size(184,0.1). 5880p3_pi_acceptor(184,0.1). 5881p3_branch(184,0.1). 5882p3_sigma(184,0.1). 5883p3_polarisable(184,0.1). 5884p3_flex(185,0.1). 5885p3_pi_doner(185,0.1). 5886p3_polar(185,0.1). 5887p3_h_doner(185,0.1). 5888p3_h_acceptor(185,0.1). 5889p3_size(185,0.1). 5890p3_pi_acceptor(185,0.1). 5891p3_branch(185,0.1). 5892p3_sigma(185,0.1). 5893p3_polarisable(185,0.1). 5894p3_flex(186,0.1). 5895p3_pi_doner(186,0.1). 5896p3_polar(186,0.1). 5897p3_h_doner(186,0.1). 5898p3_h_acceptor(186,0.1). 5899p3_size(186,0.1). 5900p3_pi_acceptor(186,0.1). 5901p3_branch(186,0.1). 5902p3_sigma(186,0.1). 5903p3_polarisable(186,0.1). 5904p4_flex(1,0.1). 5905p4_pi_doner(1,0.1). 5906p4_polar(1,0.1). 5907p4_h_doner(1,0.1). 5908p4_h_acceptor(1,0.1). 5909p4_size(1,0.1). 5910p4_pi_acceptor(1,0.1). 5911p4_branch(1,0.1). 5912p4_sigma(1,0.1). 5913p4_polarisable(1,0.1). 5914p4_flex(2,0.443). 5915p4_pi_doner(2,0.1). 5916p4_polar(2,0.3). 5917p4_h_doner(2,0.1). 5918p4_h_acceptor(2,0.367). 5919p4_size(2,0.4). 5920p4_pi_acceptor(2,0.1). 5921p4_branch(2,0.3). 5922p4_sigma(2,0.1). 5923p4_polarisable(2,0.5). 5924p4_flex(3,0.329). 5925p4_pi_doner(3,0.1). 5926p4_polar(3,0.3). 5927p4_h_doner(3,0.1). 5928p4_h_acceptor(3,0.367). 5929p4_size(3,0.6). 5930p4_pi_acceptor(3,0.1). 5931p4_branch(3,0.5). 5932p4_sigma(3,0.1). 5933p4_polarisable(3,0.5). 5934p4_flex(4,0.329). 5935p4_pi_doner(4,0.1). 5936p4_polar(4,0.3). 5937p4_h_doner(4,0.1). 5938p4_h_acceptor(4,0.367). 5939p4_size(4,0.7). 5940p4_pi_acceptor(4,0.1). 5941p4_branch(4,0.3). 5942p4_sigma(4,0.1). 5943p4_polarisable(4,0.5). 5944p4_flex(5,0.214). 5945p4_pi_doner(5,0.1). 5946p4_polar(5,0.5). 5947p4_h_doner(5,0.1). 5948p4_h_acceptor(5,0.367). 5949p4_size(5,0.3). 5950p4_pi_acceptor(5,0.1). 5951p4_branch(5,0.1). 5952p4_sigma(5,0.1). 5953p4_polarisable(5,0.5). 5954p4_flex(6,0.329). 5955p4_pi_doner(6,0.1). 5956p4_polar(6,0.5). 5957p4_h_doner(6,0.1). 5958p4_h_acceptor(6,0.367). 5959p4_size(6,0.4). 5960p4_pi_acceptor(6,0.1). 5961p4_branch(6,0.5). 5962p4_sigma(6,0.1). 5963p4_polarisable(6,0.5). 5964p4_flex(7,0.214). 5965p4_pi_doner(7,0.1). 5966p4_polar(7,0.5). 5967p4_h_doner(7,0.1). 5968p4_h_acceptor(7,0.633). 5969p4_size(7,0.5). 5970p4_pi_acceptor(7,0.1). 5971p4_branch(7,0.3). 5972p4_sigma(7,0.367). 5973p4_polarisable(7,0.1). 5974p4_flex(8,0.443). 5975p4_pi_doner(8,0.1). 5976p4_polar(8,0.5). 5977p4_h_doner(8,0.1). 5978p4_h_acceptor(8,0.367). 5979p4_size(8,0.5). 5980p4_pi_acceptor(8,0.1). 5981p4_branch(8,0.5). 5982p4_sigma(8,0.1). 5983p4_polarisable(8,0.5). 5984p4_flex(9,0.214). 5985p4_pi_doner(9,0.1). 5986p4_polar(9,0.5). 5987p4_h_doner(9,0.1). 5988p4_h_acceptor(9,0.633). 5989p4_size(9,0.6). 5990p4_pi_acceptor(9,0.1). 5991p4_branch(9,0.5). 5992p4_sigma(9,0.1). 5993p4_polarisable(9,0.5). 5994p4_flex(10,0.214). 5995p4_pi_doner(10,0.1). 5996p4_polar(10,0.5). 5997p4_h_doner(10,0.1). 5998p4_h_acceptor(10,0.633). 5999p4_size(10,0.6). 6000p4_pi_acceptor(10,0.1). 6001p4_branch(10,0.5). 6002p4_sigma(10,0.367). 6003p4_polarisable(10,0.1). 6004p4_flex(11,0.214). 6005p4_pi_doner(11,0.1). 6006p4_polar(11,0.5). 6007p4_h_doner(11,0.1). 6008p4_h_acceptor(11,0.633). 6009p4_size(11,0.6). 6010p4_pi_acceptor(11,0.1). 6011p4_branch(11,0.5). 6012p4_sigma(11,0.367). 6013p4_polarisable(11,0.1). 6014p4_flex(12,0.329). 6015p4_pi_doner(12,0.1). 6016p4_polar(12,0.5). 6017p4_h_doner(12,0.1). 6018p4_h_acceptor(12,0.633). 6019p4_size(12,0.6). 6020p4_pi_acceptor(12,0.1). 6021p4_branch(12,0.5). 6022p4_sigma(12,0.367). 6023p4_polarisable(12,0.1). 6024p4_flex(13,0.329). 6025p4_pi_doner(13,0.1). 6026p4_polar(13,0.5). 6027p4_h_doner(13,0.1). 6028p4_h_acceptor(13,0.9). 6029p4_size(13,0.6). 6030p4_pi_acceptor(13,0.1). 6031p4_branch(13,0.5). 6032p4_sigma(13,0.367). 6033p4_polarisable(13,0.1). 6034p4_flex(14,0.443). 6035p4_pi_doner(14,0.1). 6036p4_polar(14,0.5). 6037p4_h_doner(14,0.1). 6038p4_h_acceptor(14,0.367). 6039p4_size(14,0.6). 6040p4_pi_acceptor(14,0.1). 6041p4_branch(14,0.5). 6042p4_sigma(14,0.1). 6043p4_polarisable(14,0.5). 6044p4_flex(15,0.214). 6045p4_pi_doner(15,0.1). 6046p4_polar(15,0.7). 6047p4_h_doner(15,0.1). 6048p4_h_acceptor(15,0.367). 6049p4_size(15,0.3). 6050p4_pi_acceptor(15,0.5). 6051p4_branch(15,0.3). 6052p4_sigma(15,0.1). 6053p4_polarisable(15,0.5). 6054p4_flex(16,0.1). 6055p4_pi_doner(16,0.1). 6056p4_polar(16,0.9). 6057p4_h_doner(16,0.1). 6058p4_h_acceptor(16,0.367). 6059p4_size(16,0.2). 6060p4_pi_acceptor(16,0.9). 6061p4_branch(16,0.1). 6062p4_sigma(16,0.1). 6063p4_polarisable(16,0.9). 6064p4_flex(17,0.1). 6065p4_pi_doner(17,0.1). 6066p4_polar(17,0.3). 6067p4_h_doner(17,0.1). 6068p4_h_acceptor(17,0.1). 6069p4_size(17,0.1). 6070p4_pi_acceptor(17,0.1). 6071p4_branch(17,0.1). 6072p4_sigma(17,0.1). 6073p4_polarisable(17,0.1). 6074p4_flex(18,0.1). 6075p4_pi_doner(18,0.1). 6076p4_polar(18,0.3). 6077p4_h_doner(18,0.1). 6078p4_h_acceptor(18,0.1). 6079p4_size(18,0.2). 6080p4_pi_acceptor(18,0.1). 6081p4_branch(18,0.1). 6082p4_sigma(18,0.1). 6083p4_polarisable(18,0.5). 6084p4_flex(19,0.329). 6085p4_pi_doner(19,0.1). 6086p4_polar(19,0.3). 6087p4_h_doner(19,0.1). 6088p4_h_acceptor(19,0.1). 6089p4_size(19,0.3). 6090p4_pi_acceptor(19,0.1). 6091p4_branch(19,0.1). 6092p4_sigma(19,0.1). 6093p4_polarisable(19,0.5). 6094p4_flex(20,0.329). 6095p4_pi_doner(20,0.1). 6096p4_polar(20,0.3). 6097p4_h_doner(20,0.1). 6098p4_h_acceptor(20,0.1). 6099p4_size(20,0.3). 6100p4_pi_acceptor(20,0.1). 6101p4_branch(20,0.1). 6102p4_sigma(20,0.1). 6103p4_polarisable(20,0.5). 6104p4_flex(21,0.557). 6105p4_pi_doner(21,0.1). 6106p4_polar(21,0.3). 6107p4_h_doner(21,0.1). 6108p4_h_acceptor(21,0.1). 6109p4_size(21,0.5). 6110p4_pi_acceptor(21,0.1). 6111p4_branch(21,0.1). 6112p4_sigma(21,0.1). 6113p4_polarisable(21,0.5). 6114p4_flex(22,0.557). 6115p4_pi_doner(22,0.1). 6116p4_polar(22,0.3). 6117p4_h_doner(22,0.1). 6118p4_h_acceptor(22,0.1). 6119p4_size(22,0.5). 6120p4_pi_acceptor(22,0.1). 6121p4_branch(22,0.1). 6122p4_sigma(22,0.1). 6123p4_polarisable(22,0.5). 6124p4_flex(23,0.786). 6125p4_pi_doner(23,0.1). 6126p4_polar(23,0.3). 6127p4_h_doner(23,0.1). 6128p4_h_acceptor(23,0.1). 6129p4_size(23,0.5). 6130p4_pi_acceptor(23,0.1). 6131p4_branch(23,0.1). 6132p4_sigma(23,0.1). 6133p4_polarisable(23,0.5). 6134p4_flex(24,0.786). 6135p4_pi_doner(24,0.1). 6136p4_polar(24,0.3). 6137p4_h_doner(24,0.1). 6138p4_h_acceptor(24,0.367). 6139p4_size(24,0.7). 6140p4_pi_acceptor(24,0.1). 6141p4_branch(24,0.1). 6142p4_sigma(24,0.1). 6143p4_polarisable(24,0.5). 6144p4_flex(25,0.1). 6145p4_pi_doner(25,0.5). 6146p4_polar(25,0.5). 6147p4_h_doner(25,0.5). 6148p4_h_acceptor(25,0.367). 6149p4_size(25,0.3). 6150p4_pi_acceptor(25,0.1). 6151p4_branch(25,0.5). 6152p4_sigma(25,0.367). 6153p4_polarisable(25,0.5). 6154p4_flex(26,0.1). 6155p4_pi_doner(26,0.5). 6156p4_polar(26,0.5). 6157p4_h_doner(26,0.5). 6158p4_h_acceptor(26,0.367). 6159p4_size(26,0.3). 6160p4_pi_acceptor(26,0.1). 6161p4_branch(26,0.5). 6162p4_sigma(26,0.367). 6163p4_polarisable(26,0.5). 6164p4_flex(27,0.1). 6165p4_pi_doner(27,0.5). 6166p4_polar(27,0.5). 6167p4_h_doner(27,0.5). 6168p4_h_acceptor(27,0.367). 6169p4_size(27,0.4). 6170p4_pi_acceptor(27,0.1). 6171p4_branch(27,0.3). 6172p4_sigma(27,0.367). 6173p4_polarisable(27,0.5). 6174p4_flex(28,0.1). 6175p4_pi_doner(28,0.5). 6176p4_polar(28,0.5). 6177p4_h_doner(28,0.5). 6178p4_h_acceptor(28,0.367). 6179p4_size(28,0.4). 6180p4_pi_acceptor(28,0.1). 6181p4_branch(28,0.3). 6182p4_sigma(28,0.367). 6183p4_polarisable(28,0.5). 6184p4_flex(29,0.214). 6185p4_pi_doner(29,0.1). 6186p4_polar(29,0.5). 6187p4_h_doner(29,0.1). 6188p4_h_acceptor(29,0.367). 6189p4_size(29,0.4). 6190p4_pi_acceptor(29,0.1). 6191p4_branch(29,0.5). 6192p4_sigma(29,0.367). 6193p4_polarisable(29,0.5). 6194p4_flex(30,0.214). 6195p4_pi_doner(30,0.5). 6196p4_polar(30,0.5). 6197p4_h_doner(30,0.5). 6198p4_h_acceptor(30,0.367). 6199p4_size(30,0.4). 6200p4_pi_acceptor(30,0.1). 6201p4_branch(30,0.3). 6202p4_sigma(30,0.367). 6203p4_polarisable(30,0.5). 6204p4_flex(31,0.214). 6205p4_pi_doner(31,0.5). 6206p4_polar(31,0.5). 6207p4_h_doner(31,0.5). 6208p4_h_acceptor(31,0.367). 6209p4_size(31,0.4). 6210p4_pi_acceptor(31,0.1). 6211p4_branch(31,0.3). 6212p4_sigma(31,0.367). 6213p4_polarisable(31,0.5). 6214p4_flex(32,0.329). 6215p4_pi_doner(32,0.5). 6216p4_polar(32,0.5). 6217p4_h_doner(32,0.5). 6218p4_h_acceptor(32,0.367). 6219p4_size(32,0.4). 6220p4_pi_acceptor(32,0.1). 6221p4_branch(32,0.3). 6222p4_sigma(32,0.367). 6223p4_polarisable(32,0.5). 6224p4_flex(33,0.329). 6225p4_pi_doner(33,0.5). 6226p4_polar(33,0.5). 6227p4_h_doner(33,0.5). 6228p4_h_acceptor(33,0.367). 6229p4_size(33,0.4). 6230p4_pi_acceptor(33,0.1). 6231p4_branch(33,0.3). 6232p4_sigma(33,0.367). 6233p4_polarisable(33,0.5). 6234p4_flex(34,0.329). 6235p4_pi_doner(34,0.5). 6236p4_polar(34,0.5). 6237p4_h_doner(34,0.5). 6238p4_h_acceptor(34,0.367). 6239p4_size(34,0.4). 6240p4_pi_acceptor(34,0.1). 6241p4_branch(34,0.3). 6242p4_sigma(34,0.367). 6243p4_polarisable(34,0.5). 6244p4_flex(35,0.329). 6245p4_pi_doner(35,0.5). 6246p4_polar(35,0.5). 6247p4_h_doner(35,0.5). 6248p4_h_acceptor(35,0.367). 6249p4_size(35,0.4). 6250p4_pi_acceptor(35,0.1). 6251p4_branch(35,0.3). 6252p4_sigma(35,0.367). 6253p4_polarisable(35,0.5). 6254p4_flex(36,0.329). 6255p4_pi_doner(36,0.5). 6256p4_polar(36,0.5). 6257p4_h_doner(36,0.5). 6258p4_h_acceptor(36,0.367). 6259p4_size(36,0.4). 6260p4_pi_acceptor(36,0.1). 6261p4_branch(36,0.3). 6262p4_sigma(36,0.367). 6263p4_polarisable(36,0.5). 6264p4_flex(37,0.329). 6265p4_pi_doner(37,0.5). 6266p4_polar(37,0.5). 6267p4_h_doner(37,0.5). 6268p4_h_acceptor(37,0.367). 6269p4_size(37,0.4). 6270p4_pi_acceptor(37,0.1). 6271p4_branch(37,0.3). 6272p4_sigma(37,0.367). 6273p4_polarisable(37,0.5). 6274p4_flex(38,0.329). 6275p4_pi_doner(38,0.5). 6276p4_polar(38,0.5). 6277p4_h_doner(38,0.5). 6278p4_h_acceptor(38,0.367). 6279p4_size(38,0.4). 6280p4_pi_acceptor(38,0.1). 6281p4_branch(38,0.5). 6282p4_sigma(38,0.367). 6283p4_polarisable(38,0.5). 6284p4_flex(39,0.329). 6285p4_pi_doner(39,0.5). 6286p4_polar(39,0.5). 6287p4_h_doner(39,0.5). 6288p4_h_acceptor(39,0.367). 6289p4_size(39,0.4). 6290p4_pi_acceptor(39,0.1). 6291p4_branch(39,0.3). 6292p4_sigma(39,0.367). 6293p4_polarisable(39,0.9). 6294p4_flex(40,0.329). 6295p4_pi_doner(40,0.5). 6296p4_polar(40,0.5). 6297p4_h_doner(40,0.5). 6298p4_h_acceptor(40,0.633). 6299p4_size(40,0.4). 6300p4_pi_acceptor(40,0.1). 6301p4_branch(40,0.3). 6302p4_sigma(40,0.367). 6303p4_polarisable(40,0.5). 6304p4_flex(41,0.329). 6305p4_pi_doner(41,0.5). 6306p4_polar(41,0.5). 6307p4_h_doner(41,0.5). 6308p4_h_acceptor(41,0.633). 6309p4_size(41,0.4). 6310p4_pi_acceptor(41,0.1). 6311p4_branch(41,0.3). 6312p4_sigma(41,0.367). 6313p4_polarisable(41,0.5). 6314p4_flex(42,0.329). 6315p4_pi_doner(42,0.5). 6316p4_polar(42,0.5). 6317p4_h_doner(42,0.5). 6318p4_h_acceptor(42,0.633). 6319p4_size(42,0.4). 6320p4_pi_acceptor(42,0.1). 6321p4_branch(42,0.3). 6322p4_sigma(42,0.367). 6323p4_polarisable(42,0.5). 6324p4_flex(43,0.443). 6325p4_pi_doner(43,0.1). 6326p4_polar(43,0.5). 6327p4_h_doner(43,0.1). 6328p4_h_acceptor(43,0.633). 6329p4_size(43,0.4). 6330p4_pi_acceptor(43,0.1). 6331p4_branch(43,0.1). 6332p4_sigma(43,0.367). 6333p4_polarisable(43,0.5). 6334p4_flex(44,0.443). 6335p4_pi_doner(44,0.1). 6336p4_polar(44,0.5). 6337p4_h_doner(44,0.1). 6338p4_h_acceptor(44,0.633). 6339p4_size(44,0.4). 6340p4_pi_acceptor(44,0.1). 6341p4_branch(44,0.1). 6342p4_sigma(44,0.367). 6343p4_polarisable(44,0.5). 6344p4_flex(45,0.214). 6345p4_pi_doner(45,0.9). 6346p4_polar(45,0.5). 6347p4_h_doner(45,0.9). 6348p4_h_acceptor(45,0.633). 6349p4_size(45,0.5). 6350p4_pi_acceptor(45,0.1). 6351p4_branch(45,0.3). 6352p4_sigma(45,0.367). 6353p4_polarisable(45,0.5). 6354p4_flex(46,0.214). 6355p4_pi_doner(46,0.9). 6356p4_polar(46,0.5). 6357p4_h_doner(46,0.9). 6358p4_h_acceptor(46,0.633). 6359p4_size(46,0.5). 6360p4_pi_acceptor(46,0.1). 6361p4_branch(46,0.3). 6362p4_sigma(46,0.367). 6363p4_polarisable(46,0.5). 6364p4_flex(47,0.214). 6365p4_pi_doner(47,0.9). 6366p4_polar(47,0.5). 6367p4_h_doner(47,0.9). 6368p4_h_acceptor(47,0.633). 6369p4_size(47,0.5). 6370p4_pi_acceptor(47,0.1). 6371p4_branch(47,0.3). 6372p4_sigma(47,0.367). 6373p4_polarisable(47,0.5). 6374p4_flex(48,0.329). 6375p4_pi_doner(48,0.1). 6376p4_polar(48,0.5). 6377p4_h_doner(48,0.1). 6378p4_h_acceptor(48,0.367). 6379p4_size(48,0.5). 6380p4_pi_acceptor(48,0.1). 6381p4_branch(48,0.5). 6382p4_sigma(48,0.367). 6383p4_polarisable(48,0.5). 6384p4_flex(49,0.329). 6385p4_pi_doner(49,0.1). 6386p4_polar(49,0.5). 6387p4_h_doner(49,0.1). 6388p4_h_acceptor(49,0.367). 6389p4_size(49,0.5). 6390p4_pi_acceptor(49,0.1). 6391p4_branch(49,0.5). 6392p4_sigma(49,0.367). 6393p4_polarisable(49,0.5). 6394p4_flex(50,0.329). 6395p4_pi_doner(50,0.1). 6396p4_polar(50,0.5). 6397p4_h_doner(50,0.1). 6398p4_h_acceptor(50,0.633). 6399p4_size(50,0.5). 6400p4_pi_acceptor(50,0.1). 6401p4_branch(50,0.5). 6402p4_sigma(50,0.367). 6403p4_polarisable(50,0.5). 6404p4_flex(51,0.329). 6405p4_pi_doner(51,0.5). 6406p4_polar(51,0.5). 6407p4_h_doner(51,0.5). 6408p4_h_acceptor(51,0.367). 6409p4_size(51,0.5). 6410p4_pi_acceptor(51,0.1). 6411p4_branch(51,0.5). 6412p4_sigma(51,0.367). 6413p4_polarisable(51,0.5). 6414p4_flex(52,0.443). 6415p4_pi_doner(52,0.5). 6416p4_polar(52,0.5). 6417p4_h_doner(52,0.5). 6418p4_h_acceptor(52,0.367). 6419p4_size(52,0.5). 6420p4_pi_acceptor(52,0.1). 6421p4_branch(52,0.3). 6422p4_sigma(52,0.367). 6423p4_polarisable(52,0.5). 6424p4_flex(53,0.443). 6425p4_pi_doner(53,0.5). 6426p4_polar(53,0.5). 6427p4_h_doner(53,0.5). 6428p4_h_acceptor(53,0.367). 6429p4_size(53,0.5). 6430p4_pi_acceptor(53,0.1). 6431p4_branch(53,0.3). 6432p4_sigma(53,0.367). 6433p4_polarisable(53,0.5). 6434p4_flex(54,0.557). 6435p4_pi_doner(54,0.1). 6436p4_polar(54,0.5). 6437p4_h_doner(54,0.1). 6438p4_h_acceptor(54,0.367). 6439p4_size(54,0.5). 6440p4_pi_acceptor(54,0.1). 6441p4_branch(54,0.1). 6442p4_sigma(54,0.367). 6443p4_polarisable(54,0.5). 6444p4_flex(55,0.557). 6445p4_pi_doner(55,0.1). 6446p4_polar(55,0.5). 6447p4_h_doner(55,0.1). 6448p4_h_acceptor(55,0.367). 6449p4_size(55,0.5). 6450p4_pi_acceptor(55,0.1). 6451p4_branch(55,0.1). 6452p4_sigma(55,0.367). 6453p4_polarisable(55,0.5). 6454p4_flex(56,0.443). 6455p4_pi_doner(56,0.1). 6456p4_polar(56,0.5). 6457p4_h_doner(56,0.1). 6458p4_h_acceptor(56,0.367). 6459p4_size(56,0.6). 6460p4_pi_acceptor(56,0.1). 6461p4_branch(56,0.5). 6462p4_sigma(56,0.1). 6463p4_polarisable(56,0.5). 6464p4_flex(57,0.214). 6465p4_pi_doner(57,0.5). 6466p4_polar(57,0.5). 6467p4_h_doner(57,0.5). 6468p4_h_acceptor(57,0.367). 6469p4_size(57,0.7). 6470p4_pi_acceptor(57,0.1). 6471p4_branch(57,0.9). 6472p4_sigma(57,0.367). 6473p4_polarisable(57,0.5). 6474p4_flex(58,0.214). 6475p4_pi_doner(58,0.5). 6476p4_polar(58,0.5). 6477p4_h_doner(58,0.5). 6478p4_h_acceptor(58,0.367). 6479p4_size(58,0.7). 6480p4_pi_acceptor(58,0.1). 6481p4_branch(58,0.9). 6482p4_sigma(58,0.367). 6483p4_polarisable(58,0.5). 6484p4_flex(59,0.214). 6485p4_pi_doner(59,0.5). 6486p4_polar(59,0.5). 6487p4_h_doner(59,0.5). 6488p4_h_acceptor(59,0.367). 6489p4_size(59,0.7). 6490p4_pi_acceptor(59,0.1). 6491p4_branch(59,0.9). 6492p4_sigma(59,0.367). 6493p4_polarisable(59,0.5). 6494p4_flex(60,0.329). 6495p4_pi_doner(60,0.5). 6496p4_polar(60,0.5). 6497p4_h_doner(60,0.5). 6498p4_h_acceptor(60,0.367). 6499p4_size(60,0.7). 6500p4_pi_acceptor(60,0.1). 6501p4_branch(60,0.7). 6502p4_sigma(60,0.367). 6503p4_polarisable(60,0.5). 6504p4_flex(61,0.329). 6505p4_pi_doner(61,0.5). 6506p4_polar(61,0.5). 6507p4_h_doner(61,0.5). 6508p4_h_acceptor(61,0.367). 6509p4_size(61,0.7). 6510p4_pi_acceptor(61,0.1). 6511p4_branch(61,0.7). 6512p4_sigma(61,0.367). 6513p4_polarisable(61,0.5). 6514p4_flex(62,0.329). 6515p4_pi_doner(62,0.5). 6516p4_polar(62,0.5). 6517p4_h_doner(62,0.5). 6518p4_h_acceptor(62,0.367). 6519p4_size(62,0.7). 6520p4_pi_acceptor(62,0.1). 6521p4_branch(62,0.7). 6522p4_sigma(62,0.367). 6523p4_polarisable(62,0.5). 6524p4_flex(63,0.557). 6525p4_pi_doner(63,0.1). 6526p4_polar(63,0.5). 6527p4_h_doner(63,0.1). 6528p4_h_acceptor(63,0.367). 6529p4_size(63,0.7). 6530p4_pi_acceptor(63,0.1). 6531p4_branch(63,0.5). 6532p4_sigma(63,0.1). 6533p4_polarisable(63,0.5). 6534p4_flex(64,0.557). 6535p4_pi_doner(64,0.9). 6536p4_polar(64,0.5). 6537p4_h_doner(64,0.9). 6538p4_h_acceptor(64,0.9). 6539p4_size(64,0.7). 6540p4_pi_acceptor(64,0.1). 6541p4_branch(64,0.3). 6542p4_sigma(64,0.367). 6543p4_polarisable(64,0.5). 6544p4_flex(65,0.214). 6545p4_pi_doner(65,0.5). 6546p4_polar(65,0.5). 6547p4_h_doner(65,0.5). 6548p4_h_acceptor(65,0.633). 6549p4_size(65,0.8). 6550p4_pi_acceptor(65,0.1). 6551p4_branch(65,0.9). 6552p4_sigma(65,0.367). 6553p4_polarisable(65,0.5). 6554p4_flex(66,0.214). 6555p4_pi_doner(66,0.5). 6556p4_polar(66,0.5). 6557p4_h_doner(66,0.5). 6558p4_h_acceptor(66,0.633). 6559p4_size(66,0.8). 6560p4_pi_acceptor(66,0.1). 6561p4_branch(66,0.9). 6562p4_sigma(66,0.367). 6563p4_polarisable(66,0.5). 6564p4_flex(67,0.214). 6565p4_pi_doner(67,0.5). 6566p4_polar(67,0.5). 6567p4_h_doner(67,0.5). 6568p4_h_acceptor(67,0.367). 6569p4_size(67,0.9). 6570p4_pi_acceptor(67,0.1). 6571p4_branch(67,0.3). 6572p4_sigma(67,0.367). 6573p4_polarisable(67,0.5). 6574p4_flex(68,0.214). 6575p4_pi_doner(68,0.5). 6576p4_polar(68,0.5). 6577p4_h_doner(68,0.5). 6578p4_h_acceptor(68,0.367). 6579p4_size(68,0.9). 6580p4_pi_acceptor(68,0.1). 6581p4_branch(68,0.7). 6582p4_sigma(68,0.367). 6583p4_polarisable(68,0.5). 6584p4_flex(69,0.329). 6585p4_pi_doner(69,0.5). 6586p4_polar(69,0.7). 6587p4_h_doner(69,0.5). 6588p4_h_acceptor(69,0.367). 6589p4_size(69,0.4). 6590p4_pi_acceptor(69,0.5). 6591p4_branch(69,0.3). 6592p4_sigma(69,0.1). 6593p4_polarisable(69,0.5). 6594p4_flex(70,0.329). 6595p4_pi_doner(70,0.1). 6596p4_polar(70,0.9). 6597p4_h_doner(70,0.1). 6598p4_h_acceptor(70,0.367). 6599p4_size(70,0.5). 6600p4_pi_acceptor(70,0.5). 6601p4_branch(70,0.5). 6602p4_sigma(70,0.633). 6603p4_polarisable(70,0.9). 6604p4_flex(71,0.329). 6605p4_pi_doner(71,0.1). 6606p4_polar(71,0.9). 6607p4_h_doner(71,0.1). 6608p4_h_acceptor(71,0.367). 6609p4_size(71,0.5). 6610p4_pi_acceptor(71,0.5). 6611p4_branch(71,0.5). 6612p4_sigma(71,0.633). 6613p4_polarisable(71,0.9). 6614p4_flex(72,0.1). 6615p4_pi_doner(72,0.1). 6616p4_polar(72,0.3). 6617p4_h_doner(72,0.1). 6618p4_h_acceptor(72,0.1). 6619p4_size(72,0.1). 6620p4_pi_acceptor(72,0.1). 6621p4_branch(72,0.1). 6622p4_sigma(72,0.1). 6623p4_polarisable(72,0.1). 6624p4_flex(73,0.1). 6625p4_pi_doner(73,0.1). 6626p4_polar(73,0.3). 6627p4_h_doner(73,0.1). 6628p4_h_acceptor(73,0.1). 6629p4_size(73,0.1). 6630p4_pi_acceptor(73,0.1). 6631p4_branch(73,0.1). 6632p4_sigma(73,0.1). 6633p4_polarisable(73,0.1). 6634p4_flex(74,0.1). 6635p4_pi_doner(74,0.1). 6636p4_polar(74,0.3). 6637p4_h_doner(74,0.1). 6638p4_h_acceptor(74,0.1). 6639p4_size(74,0.1). 6640p4_pi_acceptor(74,0.1). 6641p4_branch(74,0.1). 6642p4_sigma(74,0.1). 6643p4_polarisable(74,0.1). 6644p4_flex(75,0.1). 6645p4_pi_doner(75,0.1). 6646p4_polar(75,0.3). 6647p4_h_doner(75,0.1). 6648p4_h_acceptor(75,0.1). 6649p4_size(75,0.1). 6650p4_pi_acceptor(75,0.1). 6651p4_branch(75,0.1). 6652p4_sigma(75,0.1). 6653p4_polarisable(75,0.1). 6654p4_flex(76,0.1). 6655p4_pi_doner(76,0.1). 6656p4_polar(76,0.3). 6657p4_h_doner(76,0.1). 6658p4_h_acceptor(76,0.1). 6659p4_size(76,0.1). 6660p4_pi_acceptor(76,0.1). 6661p4_branch(76,0.1). 6662p4_sigma(76,0.1). 6663p4_polarisable(76,0.1). 6664p4_flex(77,0.1). 6665p4_pi_doner(77,0.1). 6666p4_polar(77,0.7). 6667p4_h_doner(77,0.1). 6668p4_h_acceptor(77,0.1). 6669p4_size(77,0.2). 6670p4_pi_acceptor(77,0.1). 6671p4_branch(77,0.1). 6672p4_sigma(77,0.9). 6673p4_polarisable(77,0.5). 6674p4_flex(78,0.1). 6675p4_pi_doner(78,0.1). 6676p4_polar(78,0.1). 6677p4_h_doner(78,0.1). 6678p4_h_acceptor(78,0.1). 6679p4_size(78,0.1). 6680p4_pi_acceptor(78,0.1). 6681p4_branch(78,0.1). 6682p4_sigma(78,0.1). 6683p4_polarisable(78,0.1). 6684p4_flex(79,0.1). 6685p4_pi_doner(79,0.1). 6686p4_polar(79,0.1). 6687p4_h_doner(79,0.1). 6688p4_h_acceptor(79,0.1). 6689p4_size(79,0.1). 6690p4_pi_acceptor(79,0.1). 6691p4_branch(79,0.1). 6692p4_sigma(79,0.1). 6693p4_polarisable(79,0.1). 6694p4_flex(80,0.1). 6695p4_pi_doner(80,0.1). 6696p4_polar(80,0.3). 6697p4_h_doner(80,0.1). 6698p4_h_acceptor(80,0.1). 6699p4_size(80,0.1). 6700p4_pi_acceptor(80,0.1). 6701p4_branch(80,0.1). 6702p4_sigma(80,0.1). 6703p4_polarisable(80,0.1). 6704p4_flex(81,0.1). 6705p4_pi_doner(81,0.1). 6706p4_polar(81,0.3). 6707p4_h_doner(81,0.1). 6708p4_h_acceptor(81,0.1). 6709p4_size(81,0.1). 6710p4_pi_acceptor(81,0.1). 6711p4_branch(81,0.1). 6712p4_sigma(81,0.1). 6713p4_polarisable(81,0.1). 6714p4_flex(82,0.1). 6715p4_pi_doner(82,0.1). 6716p4_polar(82,0.3). 6717p4_h_doner(82,0.1). 6718p4_h_acceptor(82,0.1). 6719p4_size(82,0.1). 6720p4_pi_acceptor(82,0.1). 6721p4_branch(82,0.1). 6722p4_sigma(82,0.1). 6723p4_polarisable(82,0.1). 6724p4_flex(83,0.1). 6725p4_pi_doner(83,0.1). 6726p4_polar(83,0.7). 6727p4_h_doner(83,0.1). 6728p4_h_acceptor(83,0.1). 6729p4_size(83,0.2). 6730p4_pi_acceptor(83,0.1). 6731p4_branch(83,0.1). 6732p4_sigma(83,0.9). 6733p4_polarisable(83,0.5). 6734p4_flex(84,0.1). 6735p4_pi_doner(84,0.1). 6736p4_polar(84,0.3). 6737p4_h_doner(84,0.1). 6738p4_h_acceptor(84,0.1). 6739p4_size(84,0.1). 6740p4_pi_acceptor(84,0.1). 6741p4_branch(84,0.1). 6742p4_sigma(84,0.1). 6743p4_polarisable(84,0.1). 6744p4_flex(85,0.1). 6745p4_pi_doner(85,0.1). 6746p4_polar(85,0.3). 6747p4_h_doner(85,0.1). 6748p4_h_acceptor(85,0.1). 6749p4_size(85,0.1). 6750p4_pi_acceptor(85,0.1). 6751p4_branch(85,0.1). 6752p4_sigma(85,0.1). 6753p4_polarisable(85,0.1). 6754p4_flex(86,0.1). 6755p4_pi_doner(86,0.1). 6756p4_polar(86,0.3). 6757p4_h_doner(86,0.1). 6758p4_h_acceptor(86,0.1). 6759p4_size(86,0.1). 6760p4_pi_acceptor(86,0.1). 6761p4_branch(86,0.1). 6762p4_sigma(86,0.1). 6763p4_polarisable(86,0.1). 6764p4_flex(87,0.1). 6765p4_pi_doner(87,0.1). 6766p4_polar(87,0.3). 6767p4_h_doner(87,0.1). 6768p4_h_acceptor(87,0.1). 6769p4_size(87,0.1). 6770p4_pi_acceptor(87,0.1). 6771p4_branch(87,0.1). 6772p4_sigma(87,0.1). 6773p4_polarisable(87,0.1). 6774p4_flex(88,0.1). 6775p4_pi_doner(88,0.1). 6776p4_polar(88,0.1). 6777p4_h_doner(88,0.1). 6778p4_h_acceptor(88,0.1). 6779p4_size(88,0.1). 6780p4_pi_acceptor(88,0.1). 6781p4_branch(88,0.1). 6782p4_sigma(88,0.1). 6783p4_polarisable(88,0.1). 6784p4_flex(89,0.1). 6785p4_pi_doner(89,0.1). 6786p4_polar(89,0.3). 6787p4_h_doner(89,0.1). 6788p4_h_acceptor(89,0.1). 6789p4_size(89,0.1). 6790p4_pi_acceptor(89,0.1). 6791p4_branch(89,0.1). 6792p4_sigma(89,0.1). 6793p4_polarisable(89,0.1). 6794p4_flex(90,0.1). 6795p4_pi_doner(90,0.1). 6796p4_polar(90,0.3). 6797p4_h_doner(90,0.1). 6798p4_h_acceptor(90,0.1). 6799p4_size(90,0.1). 6800p4_pi_acceptor(90,0.1). 6801p4_branch(90,0.1). 6802p4_sigma(90,0.1). 6803p4_polarisable(90,0.1). 6804p4_flex(91,0.1). 6805p4_pi_doner(91,0.1). 6806p4_polar(91,0.1). 6807p4_h_doner(91,0.1). 6808p4_h_acceptor(91,0.1). 6809p4_size(91,0.1). 6810p4_pi_acceptor(91,0.1). 6811p4_branch(91,0.1). 6812p4_sigma(91,0.1). 6813p4_polarisable(91,0.1). 6814p4_flex(92,0.1). 6815p4_pi_doner(92,0.1). 6816p4_polar(92,0.3). 6817p4_h_doner(92,0.1). 6818p4_h_acceptor(92,0.1). 6819p4_size(92,0.1). 6820p4_pi_acceptor(92,0.1). 6821p4_branch(92,0.1). 6822p4_sigma(92,0.1). 6823p4_polarisable(92,0.1). 6824p4_flex(93,0.1). 6825p4_pi_doner(93,0.1). 6826p4_polar(93,0.3). 6827p4_h_doner(93,0.1). 6828p4_h_acceptor(93,0.1). 6829p4_size(93,0.1). 6830p4_pi_acceptor(93,0.1). 6831p4_branch(93,0.1). 6832p4_sigma(93,0.1). 6833p4_polarisable(93,0.1). 6834p4_flex(94,0.1). 6835p4_pi_doner(94,0.1). 6836p4_polar(94,0.3). 6837p4_h_doner(94,0.1). 6838p4_h_acceptor(94,0.1). 6839p4_size(94,0.1). 6840p4_pi_acceptor(94,0.1). 6841p4_branch(94,0.1). 6842p4_sigma(94,0.1). 6843p4_polarisable(94,0.1). 6844p4_flex(95,0.557). 6845p4_pi_doner(95,0.1). 6846p4_polar(95,0.3). 6847p4_h_doner(95,0.1). 6848p4_h_acceptor(95,0.367). 6849p4_size(95,0.5). 6850p4_pi_acceptor(95,0.1). 6851p4_branch(95,0.1). 6852p4_sigma(95,0.1). 6853p4_polarisable(95,0.5). 6854p4_flex(96,0.1). 6855p4_pi_doner(96,0.1). 6856p4_polar(96,0.3). 6857p4_h_doner(96,0.1). 6858p4_h_acceptor(96,0.1). 6859p4_size(96,0.1). 6860p4_pi_acceptor(96,0.1). 6861p4_branch(96,0.1). 6862p4_sigma(96,0.1). 6863p4_polarisable(96,0.1). 6864p4_flex(97,0.1). 6865p4_pi_doner(97,0.1). 6866p4_polar(97,0.3). 6867p4_h_doner(97,0.1). 6868p4_h_acceptor(97,0.1). 6869p4_size(97,0.1). 6870p4_pi_acceptor(97,0.1). 6871p4_branch(97,0.1). 6872p4_sigma(97,0.1). 6873p4_polarisable(97,0.1). 6874p4_flex(98,0.1). 6875p4_pi_doner(98,0.1). 6876p4_polar(98,0.3). 6877p4_h_doner(98,0.1). 6878p4_h_acceptor(98,0.1). 6879p4_size(98,0.1). 6880p4_pi_acceptor(98,0.1). 6881p4_branch(98,0.1). 6882p4_sigma(98,0.1). 6883p4_polarisable(98,0.1). 6884p4_flex(99,0.1). 6885p4_pi_doner(99,0.1). 6886p4_polar(99,0.3). 6887p4_h_doner(99,0.1). 6888p4_h_acceptor(99,0.1). 6889p4_size(99,0.1). 6890p4_pi_acceptor(99,0.1). 6891p4_branch(99,0.1). 6892p4_sigma(99,0.1). 6893p4_polarisable(99,0.1). 6894p4_flex(100,0.1). 6895p4_pi_doner(100,0.1). 6896p4_polar(100,0.3). 6897p4_h_doner(100,0.1). 6898p4_h_acceptor(100,0.1). 6899p4_size(100,0.1). 6900p4_pi_acceptor(100,0.1). 6901p4_branch(100,0.1). 6902p4_sigma(100,0.1). 6903p4_polarisable(100,0.1). 6904p4_flex(101,0.1). 6905p4_pi_doner(101,0.1). 6906p4_polar(101,0.3). 6907p4_h_doner(101,0.1). 6908p4_h_acceptor(101,0.1). 6909p4_size(101,0.1). 6910p4_pi_acceptor(101,0.1). 6911p4_branch(101,0.1). 6912p4_sigma(101,0.1). 6913p4_polarisable(101,0.1). 6914p4_flex(102,0.1). 6915p4_pi_doner(102,0.1). 6916p4_polar(102,0.7). 6917p4_h_doner(102,0.1). 6918p4_h_acceptor(102,0.1). 6919p4_size(102,0.2). 6920p4_pi_acceptor(102,0.1). 6921p4_branch(102,0.1). 6922p4_sigma(102,0.9). 6923p4_polarisable(102,0.5). 6924p4_flex(103,0.1). 6925p4_pi_doner(103,0.1). 6926p4_polar(103,0.3). 6927p4_h_doner(103,0.1). 6928p4_h_acceptor(103,0.1). 6929p4_size(103,0.1). 6930p4_pi_acceptor(103,0.1). 6931p4_branch(103,0.1). 6932p4_sigma(103,0.1). 6933p4_polarisable(103,0.1). 6934p4_flex(104,0.1). 6935p4_pi_doner(104,0.1). 6936p4_polar(104,0.3). 6937p4_h_doner(104,0.1). 6938p4_h_acceptor(104,0.1). 6939p4_size(104,0.1). 6940p4_pi_acceptor(104,0.1). 6941p4_branch(104,0.1). 6942p4_sigma(104,0.1). 6943p4_polarisable(104,0.1). 6944p4_flex(105,0.1). 6945p4_pi_doner(105,0.1). 6946p4_polar(105,0.3). 6947p4_h_doner(105,0.1). 6948p4_h_acceptor(105,0.1). 6949p4_size(105,0.1). 6950p4_pi_acceptor(105,0.1). 6951p4_branch(105,0.1). 6952p4_sigma(105,0.1). 6953p4_polarisable(105,0.1). 6954p4_flex(106,0.1). 6955p4_pi_doner(106,0.1). 6956p4_polar(106,0.7). 6957p4_h_doner(106,0.1). 6958p4_h_acceptor(106,0.1). 6959p4_size(106,0.2). 6960p4_pi_acceptor(106,0.1). 6961p4_branch(106,0.1). 6962p4_sigma(106,0.9). 6963p4_polarisable(106,0.5). 6964p4_flex(107,0.1). 6965p4_pi_doner(107,0.1). 6966p4_polar(107,0.3). 6967p4_h_doner(107,0.1). 6968p4_h_acceptor(107,0.1). 6969p4_size(107,0.1). 6970p4_pi_acceptor(107,0.1). 6971p4_branch(107,0.1). 6972p4_sigma(107,0.1). 6973p4_polarisable(107,0.1). 6974p4_flex(108,0.1). 6975p4_pi_doner(108,0.1). 6976p4_polar(108,0.1). 6977p4_h_doner(108,0.1). 6978p4_h_acceptor(108,0.1). 6979p4_size(108,0.1). 6980p4_pi_acceptor(108,0.1). 6981p4_branch(108,0.1). 6982p4_sigma(108,0.1). 6983p4_polarisable(108,0.1). 6984p4_flex(109,0.1). 6985p4_pi_doner(109,0.1). 6986p4_polar(109,0.3). 6987p4_h_doner(109,0.1). 6988p4_h_acceptor(109,0.1). 6989p4_size(109,0.1). 6990p4_pi_acceptor(109,0.1). 6991p4_branch(109,0.1). 6992p4_sigma(109,0.1). 6993p4_polarisable(109,0.1). 6994p4_flex(110,0.1). 6995p4_pi_doner(110,0.1). 6996p4_polar(110,0.3). 6997p4_h_doner(110,0.1). 6998p4_h_acceptor(110,0.1). 6999p4_size(110,0.1). 7000p4_pi_acceptor(110,0.1). 7001p4_branch(110,0.1). 7002p4_sigma(110,0.1). 7003p4_polarisable(110,0.1). 7004p4_flex(111,0.1). 7005p4_pi_doner(111,0.1). 7006p4_polar(111,0.3). 7007p4_h_doner(111,0.1). 7008p4_h_acceptor(111,0.1). 7009p4_size(111,0.1). 7010p4_pi_acceptor(111,0.1). 7011p4_branch(111,0.1). 7012p4_sigma(111,0.1). 7013p4_polarisable(111,0.1). 7014p4_flex(112,0.1). 7015p4_pi_doner(112,0.1). 7016p4_polar(112,0.3). 7017p4_h_doner(112,0.1). 7018p4_h_acceptor(112,0.1). 7019p4_size(112,0.1). 7020p4_pi_acceptor(112,0.1). 7021p4_branch(112,0.1). 7022p4_sigma(112,0.1). 7023p4_polarisable(112,0.1). 7024p4_flex(113,0.1). 7025p4_pi_doner(113,0.1). 7026p4_polar(113,0.3). 7027p4_h_doner(113,0.1). 7028p4_h_acceptor(113,0.1). 7029p4_size(113,0.1). 7030p4_pi_acceptor(113,0.1). 7031p4_branch(113,0.1). 7032p4_sigma(113,0.1). 7033p4_polarisable(113,0.1). 7034p4_flex(114,0.1). 7035p4_pi_doner(114,0.1). 7036p4_polar(114,0.3). 7037p4_h_doner(114,0.1). 7038p4_h_acceptor(114,0.1). 7039p4_size(114,0.1). 7040p4_pi_acceptor(114,0.1). 7041p4_branch(114,0.1). 7042p4_sigma(114,0.1). 7043p4_polarisable(114,0.1). 7044p4_flex(115,0.1). 7045p4_pi_doner(115,0.1). 7046p4_polar(115,0.1). 7047p4_h_doner(115,0.1). 7048p4_h_acceptor(115,0.1). 7049p4_size(115,0.1). 7050p4_pi_acceptor(115,0.1). 7051p4_branch(115,0.1). 7052p4_sigma(115,0.1). 7053p4_polarisable(115,0.1). 7054p4_flex(116,0.1). 7055p4_pi_doner(116,0.1). 7056p4_polar(116,0.3). 7057p4_h_doner(116,0.1). 7058p4_h_acceptor(116,0.1). 7059p4_size(116,0.1). 7060p4_pi_acceptor(116,0.1). 7061p4_branch(116,0.1). 7062p4_sigma(116,0.1). 7063p4_polarisable(116,0.1). 7064p4_flex(117,0.1). 7065p4_pi_doner(117,0.1). 7066p4_polar(117,0.3). 7067p4_h_doner(117,0.1). 7068p4_h_acceptor(117,0.1). 7069p4_size(117,0.1). 7070p4_pi_acceptor(117,0.1). 7071p4_branch(117,0.1). 7072p4_sigma(117,0.1). 7073p4_polarisable(117,0.1). 7074p4_flex(118,0.1). 7075p4_pi_doner(118,0.1). 7076p4_polar(118,0.7). 7077p4_h_doner(118,0.1). 7078p4_h_acceptor(118,0.1). 7079p4_size(118,0.2). 7080p4_pi_acceptor(118,0.1). 7081p4_branch(118,0.1). 7082p4_sigma(118,0.9). 7083p4_polarisable(118,0.5). 7084p4_flex(119,0.1). 7085p4_pi_doner(119,0.1). 7086p4_polar(119,0.1). 7087p4_h_doner(119,0.1). 7088p4_h_acceptor(119,0.1). 7089p4_size(119,0.1). 7090p4_pi_acceptor(119,0.1). 7091p4_branch(119,0.1). 7092p4_sigma(119,0.1). 7093p4_polarisable(119,0.1). 7094p4_flex(120,0.1). 7095p4_pi_doner(120,0.1). 7096p4_polar(120,0.3). 7097p4_h_doner(120,0.1). 7098p4_h_acceptor(120,0.1). 7099p4_size(120,0.1). 7100p4_pi_acceptor(120,0.1). 7101p4_branch(120,0.1). 7102p4_sigma(120,0.1). 7103p4_polarisable(120,0.1). 7104p4_flex(121,0.1). 7105p4_pi_doner(121,0.1). 7106p4_polar(121,0.1). 7107p4_h_doner(121,0.1). 7108p4_h_acceptor(121,0.1). 7109p4_size(121,0.1). 7110p4_pi_acceptor(121,0.1). 7111p4_branch(121,0.1). 7112p4_sigma(121,0.1). 7113p4_polarisable(121,0.1). 7114p4_flex(122,0.1). 7115p4_pi_doner(122,0.1). 7116p4_polar(122,0.1). 7117p4_h_doner(122,0.1). 7118p4_h_acceptor(122,0.1). 7119p4_size(122,0.1). 7120p4_pi_acceptor(122,0.1). 7121p4_branch(122,0.1). 7122p4_sigma(122,0.1). 7123p4_polarisable(122,0.1). 7124p4_flex(123,0.1). 7125p4_pi_doner(123,0.1). 7126p4_polar(123,0.7). 7127p4_h_doner(123,0.1). 7128p4_h_acceptor(123,0.1). 7129p4_size(123,0.2). 7130p4_pi_acceptor(123,0.1). 7131p4_branch(123,0.1). 7132p4_sigma(123,0.9). 7133p4_polarisable(123,0.5). 7134p4_flex(124,0.1). 7135p4_pi_doner(124,0.1). 7136p4_polar(124,0.1). 7137p4_h_doner(124,0.1). 7138p4_h_acceptor(124,0.1). 7139p4_size(124,0.1). 7140p4_pi_acceptor(124,0.1). 7141p4_branch(124,0.1). 7142p4_sigma(124,0.1). 7143p4_polarisable(124,0.1). 7144p4_flex(125,0.1). 7145p4_pi_doner(125,0.1). 7146p4_polar(125,0.1). 7147p4_h_doner(125,0.1). 7148p4_h_acceptor(125,0.1). 7149p4_size(125,0.1). 7150p4_pi_acceptor(125,0.1). 7151p4_branch(125,0.1). 7152p4_sigma(125,0.1). 7153p4_polarisable(125,0.1). 7154p4_flex(126,0.1). 7155p4_pi_doner(126,0.1). 7156p4_polar(126,0.1). 7157p4_h_doner(126,0.1). 7158p4_h_acceptor(126,0.1). 7159p4_size(126,0.1). 7160p4_pi_acceptor(126,0.1). 7161p4_branch(126,0.1). 7162p4_sigma(126,0.1). 7163p4_polarisable(126,0.1). 7164p4_flex(127,0.329). 7165p4_pi_doner(127,0.1). 7166p4_polar(127,0.3). 7167p4_h_doner(127,0.1). 7168p4_h_acceptor(127,0.1). 7169p4_size(127,0.3). 7170p4_pi_acceptor(127,0.1). 7171p4_branch(127,0.1). 7172p4_sigma(127,0.1). 7173p4_polarisable(127,0.5). 7174p4_flex(128,0.329). 7175p4_pi_doner(128,0.1). 7176p4_polar(128,0.3). 7177p4_h_doner(128,0.1). 7178p4_h_acceptor(128,0.1). 7179p4_size(128,0.3). 7180p4_pi_acceptor(128,0.1). 7181p4_branch(128,0.1). 7182p4_sigma(128,0.1). 7183p4_polarisable(128,0.5). 7184p4_flex(129,0.329). 7185p4_pi_doner(129,0.1). 7186p4_polar(129,0.3). 7187p4_h_doner(129,0.1). 7188p4_h_acceptor(129,0.1). 7189p4_size(129,0.3). 7190p4_pi_acceptor(129,0.1). 7191p4_branch(129,0.1). 7192p4_sigma(129,0.1). 7193p4_polarisable(129,0.5). 7194p4_flex(130,0.557). 7195p4_pi_doner(130,0.1). 7196p4_polar(130,0.3). 7197p4_h_doner(130,0.1). 7198p4_h_acceptor(130,0.1). 7199p4_size(130,0.5). 7200p4_pi_acceptor(130,0.1). 7201p4_branch(130,0.1). 7202p4_sigma(130,0.1). 7203p4_polarisable(130,0.5). 7204p4_flex(131,0.557). 7205p4_pi_doner(131,0.1). 7206p4_polar(131,0.3). 7207p4_h_doner(131,0.1). 7208p4_h_acceptor(131,0.1). 7209p4_size(131,0.5). 7210p4_pi_acceptor(131,0.1). 7211p4_branch(131,0.1). 7212p4_sigma(131,0.1). 7213p4_polarisable(131,0.5). 7214p4_flex(132,0.557). 7215p4_pi_doner(132,0.1). 7216p4_polar(132,0.3). 7217p4_h_doner(132,0.1). 7218p4_h_acceptor(132,0.1). 7219p4_size(132,0.5). 7220p4_pi_acceptor(132,0.1). 7221p4_branch(132,0.1). 7222p4_sigma(132,0.1). 7223p4_polarisable(132,0.5). 7224p4_flex(133,0.557). 7225p4_pi_doner(133,0.1). 7226p4_polar(133,0.3). 7227p4_h_doner(133,0.1). 7228p4_h_acceptor(133,0.1). 7229p4_size(133,0.5). 7230p4_pi_acceptor(133,0.1). 7231p4_branch(133,0.1). 7232p4_sigma(133,0.1). 7233p4_polarisable(133,0.5). 7234p4_flex(134,0.557). 7235p4_pi_doner(134,0.1). 7236p4_polar(134,0.3). 7237p4_h_doner(134,0.1). 7238p4_h_acceptor(134,0.1). 7239p4_size(134,0.5). 7240p4_pi_acceptor(134,0.1). 7241p4_branch(134,0.1). 7242p4_sigma(134,0.1). 7243p4_polarisable(134,0.5). 7244p4_flex(135,0.329). 7245p4_pi_doner(135,0.1). 7246p4_polar(135,0.5). 7247p4_h_doner(135,0.1). 7248p4_h_acceptor(135,0.367). 7249p4_size(135,0.3). 7250p4_pi_acceptor(135,0.1). 7251p4_branch(135,0.1). 7252p4_sigma(135,0.1). 7253p4_polarisable(135,0.5). 7254p4_flex(136,0.329). 7255p4_pi_doner(136,0.1). 7256p4_polar(136,0.5). 7257p4_h_doner(136,0.1). 7258p4_h_acceptor(136,0.367). 7259p4_size(136,0.3). 7260p4_pi_acceptor(136,0.1). 7261p4_branch(136,0.1). 7262p4_sigma(136,0.1). 7263p4_polarisable(136,0.5). 7264p4_flex(137,0.329). 7265p4_pi_doner(137,0.1). 7266p4_polar(137,0.5). 7267p4_h_doner(137,0.1). 7268p4_h_acceptor(137,0.367). 7269p4_size(137,0.3). 7270p4_pi_acceptor(137,0.1). 7271p4_branch(137,0.1). 7272p4_sigma(137,0.1). 7273p4_polarisable(137,0.5). 7274p4_flex(138,0.329). 7275p4_pi_doner(138,0.1). 7276p4_polar(138,0.5). 7277p4_h_doner(138,0.1). 7278p4_h_acceptor(138,0.367). 7279p4_size(138,0.3). 7280p4_pi_acceptor(138,0.1). 7281p4_branch(138,0.1). 7282p4_sigma(138,0.1). 7283p4_polarisable(138,0.5). 7284p4_flex(139,0.329). 7285p4_pi_doner(139,0.1). 7286p4_polar(139,0.5). 7287p4_h_doner(139,0.1). 7288p4_h_acceptor(139,0.367). 7289p4_size(139,0.3). 7290p4_pi_acceptor(139,0.1). 7291p4_branch(139,0.1). 7292p4_sigma(139,0.1). 7293p4_polarisable(139,0.5). 7294p4_flex(140,0.329). 7295p4_pi_doner(140,0.1). 7296p4_polar(140,0.5). 7297p4_h_doner(140,0.1). 7298p4_h_acceptor(140,0.367). 7299p4_size(140,0.3). 7300p4_pi_acceptor(140,0.1). 7301p4_branch(140,0.1). 7302p4_sigma(140,0.1). 7303p4_polarisable(140,0.5). 7304p4_flex(141,0.329). 7305p4_pi_doner(141,0.1). 7306p4_polar(141,0.5). 7307p4_h_doner(141,0.1). 7308p4_h_acceptor(141,0.367). 7309p4_size(141,0.3). 7310p4_pi_acceptor(141,0.1). 7311p4_branch(141,0.1). 7312p4_sigma(141,0.1). 7313p4_polarisable(141,0.5). 7314p4_flex(142,0.329). 7315p4_pi_doner(142,0.1). 7316p4_polar(142,0.5). 7317p4_h_doner(142,0.1). 7318p4_h_acceptor(142,0.367). 7319p4_size(142,0.3). 7320p4_pi_acceptor(142,0.1). 7321p4_branch(142,0.1). 7322p4_sigma(142,0.1). 7323p4_polarisable(142,0.5). 7324p4_flex(143,0.329). 7325p4_pi_doner(143,0.1). 7326p4_polar(143,0.5). 7327p4_h_doner(143,0.1). 7328p4_h_acceptor(143,0.367). 7329p4_size(143,0.3). 7330p4_pi_acceptor(143,0.1). 7331p4_branch(143,0.1). 7332p4_sigma(143,0.1). 7333p4_polarisable(143,0.5). 7334p4_flex(144,0.329). 7335p4_pi_doner(144,0.1). 7336p4_polar(144,0.5). 7337p4_h_doner(144,0.1). 7338p4_h_acceptor(144,0.367). 7339p4_size(144,0.3). 7340p4_pi_acceptor(144,0.1). 7341p4_branch(144,0.1). 7342p4_sigma(144,0.1). 7343p4_polarisable(144,0.5). 7344p4_flex(145,0.329). 7345p4_pi_doner(145,0.1). 7346p4_polar(145,0.5). 7347p4_h_doner(145,0.1). 7348p4_h_acceptor(145,0.367). 7349p4_size(145,0.3). 7350p4_pi_acceptor(145,0.1). 7351p4_branch(145,0.1). 7352p4_sigma(145,0.1). 7353p4_polarisable(145,0.5). 7354p4_flex(146,0.329). 7355p4_pi_doner(146,0.1). 7356p4_polar(146,0.5). 7357p4_h_doner(146,0.1). 7358p4_h_acceptor(146,0.367). 7359p4_size(146,0.3). 7360p4_pi_acceptor(146,0.1). 7361p4_branch(146,0.1). 7362p4_sigma(146,0.1). 7363p4_polarisable(146,0.5). 7364p4_flex(147,0.329). 7365p4_pi_doner(147,0.5). 7366p4_polar(147,0.5). 7367p4_h_doner(147,0.5). 7368p4_h_acceptor(147,0.367). 7369p4_size(147,0.4). 7370p4_pi_acceptor(147,0.1). 7371p4_branch(147,0.3). 7372p4_sigma(147,0.367). 7373p4_polarisable(147,0.5). 7374p4_flex(148,0.329). 7375p4_pi_doner(148,0.5). 7376p4_polar(148,0.5). 7377p4_h_doner(148,0.5). 7378p4_h_acceptor(148,0.367). 7379p4_size(148,0.4). 7380p4_pi_acceptor(148,0.1). 7381p4_branch(148,0.3). 7382p4_sigma(148,0.367). 7383p4_polarisable(148,0.9). 7384p4_flex(149,0.329). 7385p4_pi_doner(149,0.5). 7386p4_polar(149,0.5). 7387p4_h_doner(149,0.5). 7388p4_h_acceptor(149,0.367). 7389p4_size(149,0.4). 7390p4_pi_acceptor(149,0.1). 7391p4_branch(149,0.3). 7392p4_sigma(149,0.367). 7393p4_polarisable(149,0.9). 7394p4_flex(150,0.329). 7395p4_pi_doner(150,0.5). 7396p4_polar(150,0.5). 7397p4_h_doner(150,0.5). 7398p4_h_acceptor(150,0.633). 7399p4_size(150,0.4). 7400p4_pi_acceptor(150,0.1). 7401p4_branch(150,0.3). 7402p4_sigma(150,0.367). 7403p4_polarisable(150,0.5). 7404p4_flex(151,0.329). 7405p4_pi_doner(151,0.5). 7406p4_polar(151,0.5). 7407p4_h_doner(151,0.5). 7408p4_h_acceptor(151,0.633). 7409p4_size(151,0.4). 7410p4_pi_acceptor(151,0.1). 7411p4_branch(151,0.3). 7412p4_sigma(151,0.367). 7413p4_polarisable(151,0.5). 7414p4_flex(152,0.443). 7415p4_pi_doner(152,0.1). 7416p4_polar(152,0.5). 7417p4_h_doner(152,0.1). 7418p4_h_acceptor(152,0.633). 7419p4_size(152,0.4). 7420p4_pi_acceptor(152,0.1). 7421p4_branch(152,0.1). 7422p4_sigma(152,0.367). 7423p4_polarisable(152,0.5). 7424p4_flex(153,0.557). 7425p4_pi_doner(153,0.1). 7426p4_polar(153,0.5). 7427p4_h_doner(153,0.1). 7428p4_h_acceptor(153,0.633). 7429p4_size(153,0.4). 7430p4_pi_acceptor(153,0.1). 7431p4_branch(153,0.1). 7432p4_sigma(153,0.367). 7433p4_polarisable(153,0.5). 7434p4_flex(154,0.214). 7435p4_pi_doner(154,0.1). 7436p4_polar(154,0.5). 7437p4_h_doner(154,0.1). 7438p4_h_acceptor(154,0.633). 7439p4_size(154,0.5). 7440p4_pi_acceptor(154,0.1). 7441p4_branch(154,0.3). 7442p4_sigma(154,0.367). 7443p4_polarisable(154,0.1). 7444p4_flex(155,0.214). 7445p4_pi_doner(155,0.9). 7446p4_polar(155,0.5). 7447p4_h_doner(155,0.9). 7448p4_h_acceptor(155,0.633). 7449p4_size(155,0.5). 7450p4_pi_acceptor(155,0.1). 7451p4_branch(155,0.3). 7452p4_sigma(155,0.367). 7453p4_polarisable(155,0.5). 7454p4_flex(156,0.214). 7455p4_pi_doner(156,0.9). 7456p4_polar(156,0.5). 7457p4_h_doner(156,0.9). 7458p4_h_acceptor(156,0.633). 7459p4_size(156,0.5). 7460p4_pi_acceptor(156,0.1). 7461p4_branch(156,0.3). 7462p4_sigma(156,0.367). 7463p4_polarisable(156,0.5). 7464p4_flex(157,0.329). 7465p4_pi_doner(157,0.1). 7466p4_polar(157,0.5). 7467p4_h_doner(157,0.1). 7468p4_h_acceptor(157,0.633). 7469p4_size(157,0.5). 7470p4_pi_acceptor(157,0.1). 7471p4_branch(157,0.5). 7472p4_sigma(157,0.367). 7473p4_polarisable(157,0.5). 7474p4_flex(158,0.329). 7475p4_pi_doner(158,0.1). 7476p4_polar(158,0.5). 7477p4_h_doner(158,0.1). 7478p4_h_acceptor(158,0.633). 7479p4_size(158,0.5). 7480p4_pi_acceptor(158,0.1). 7481p4_branch(158,0.5). 7482p4_sigma(158,0.367). 7483p4_polarisable(158,0.5). 7484p4_flex(159,0.329). 7485p4_pi_doner(159,0.5). 7486p4_polar(159,0.5). 7487p4_h_doner(159,0.5). 7488p4_h_acceptor(159,0.633). 7489p4_size(159,0.5). 7490p4_pi_acceptor(159,0.1). 7491p4_branch(159,0.5). 7492p4_sigma(159,0.367). 7493p4_polarisable(159,0.5). 7494p4_flex(160,0.443). 7495p4_pi_doner(160,0.5). 7496p4_polar(160,0.5). 7497p4_h_doner(160,0.5). 7498p4_h_acceptor(160,0.367). 7499p4_size(160,0.5). 7500p4_pi_acceptor(160,0.1). 7501p4_branch(160,0.3). 7502p4_sigma(160,0.367). 7503p4_polarisable(160,0.5). 7504p4_flex(161,0.671). 7505p4_pi_doner(161,0.1). 7506p4_polar(161,0.5). 7507p4_h_doner(161,0.1). 7508p4_h_acceptor(161,0.633). 7509p4_size(161,0.5). 7510p4_pi_acceptor(161,0.1). 7511p4_branch(161,0.1). 7512p4_sigma(161,0.367). 7513p4_polarisable(161,0.5). 7514p4_flex(162,0.786). 7515p4_pi_doner(162,0.1). 7516p4_polar(162,0.5). 7517p4_h_doner(162,0.1). 7518p4_h_acceptor(162,0.9). 7519p4_size(162,0.5). 7520p4_pi_acceptor(162,0.1). 7521p4_branch(162,0.1). 7522p4_sigma(162,0.367). 7523p4_polarisable(162,0.5). 7524p4_flex(163,0.214). 7525p4_pi_doner(163,0.1). 7526p4_polar(163,0.5). 7527p4_h_doner(163,0.1). 7528p4_h_acceptor(163,0.633). 7529p4_size(163,0.6). 7530p4_pi_acceptor(163,0.1). 7531p4_branch(163,0.5). 7532p4_sigma(163,0.367). 7533p4_polarisable(163,0.1). 7534p4_flex(164,0.214). 7535p4_pi_doner(164,0.1). 7536p4_polar(164,0.5). 7537p4_h_doner(164,0.1). 7538p4_h_acceptor(164,0.633). 7539p4_size(164,0.6). 7540p4_pi_acceptor(164,0.1). 7541p4_branch(164,0.5). 7542p4_sigma(164,0.367). 7543p4_polarisable(164,0.1). 7544p4_flex(165,0.329). 7545p4_pi_doner(165,0.1). 7546p4_polar(165,0.5). 7547p4_h_doner(165,0.1). 7548p4_h_acceptor(165,0.633). 7549p4_size(165,0.6). 7550p4_pi_acceptor(165,0.1). 7551p4_branch(165,0.5). 7552p4_sigma(165,0.367). 7553p4_polarisable(165,0.1). 7554p4_flex(166,0.329). 7555p4_pi_doner(166,0.1). 7556p4_polar(166,0.5). 7557p4_h_doner(166,0.1). 7558p4_h_acceptor(166,0.9). 7559p4_size(166,0.6). 7560p4_pi_acceptor(166,0.1). 7561p4_branch(166,0.5). 7562p4_sigma(166,0.367). 7563p4_polarisable(166,0.1). 7564p4_flex(167,0.443). 7565p4_pi_doner(167,0.5). 7566p4_polar(167,0.5). 7567p4_h_doner(167,0.5). 7568p4_h_acceptor(167,0.9). 7569p4_size(167,0.6). 7570p4_pi_acceptor(167,0.1). 7571p4_branch(167,0.3). 7572p4_sigma(167,0.367). 7573p4_polarisable(167,0.5). 7574p4_flex(168,0.443). 7575p4_pi_doner(168,0.5). 7576p4_polar(168,0.5). 7577p4_h_doner(168,0.5). 7578p4_h_acceptor(168,0.9). 7579p4_size(168,0.6). 7580p4_pi_acceptor(168,0.1). 7581p4_branch(168,0.3). 7582p4_sigma(168,0.367). 7583p4_polarisable(168,0.5). 7584p4_flex(169,0.557). 7585p4_pi_doner(169,0.5). 7586p4_polar(169,0.5). 7587p4_h_doner(169,0.5). 7588p4_h_acceptor(169,0.633). 7589p4_size(169,0.6). 7590p4_pi_acceptor(169,0.1). 7591p4_branch(169,0.3). 7592p4_sigma(169,0.367). 7593p4_polarisable(169,0.5). 7594p4_flex(170,0.557). 7595p4_pi_doner(170,0.5). 7596p4_polar(170,0.5). 7597p4_h_doner(170,0.5). 7598p4_h_acceptor(170,0.633). 7599p4_size(170,0.6). 7600p4_pi_acceptor(170,0.1). 7601p4_branch(170,0.3). 7602p4_sigma(170,0.367). 7603p4_polarisable(170,0.5). 7604p4_flex(171,0.557). 7605p4_pi_doner(171,0.5). 7606p4_polar(171,0.5). 7607p4_h_doner(171,0.5). 7608p4_h_acceptor(171,0.633). 7609p4_size(171,0.6). 7610p4_pi_acceptor(171,0.1). 7611p4_branch(171,0.3). 7612p4_sigma(171,0.367). 7613p4_polarisable(171,0.5). 7614p4_flex(172,0.671). 7615p4_pi_doner(172,0.5). 7616p4_polar(172,0.5). 7617p4_h_doner(172,0.5). 7618p4_h_acceptor(172,0.367). 7619p4_size(172,0.6). 7620p4_pi_acceptor(172,0.1). 7621p4_branch(172,0.3). 7622p4_sigma(172,0.367). 7623p4_polarisable(172,0.5). 7624p4_flex(173,0.786). 7625p4_pi_doner(173,0.1). 7626p4_polar(173,0.5). 7627p4_h_doner(173,0.1). 7628p4_h_acceptor(173,0.633). 7629p4_size(173,0.6). 7630p4_pi_acceptor(173,0.1). 7631p4_branch(173,0.1). 7632p4_sigma(173,0.367). 7633p4_polarisable(173,0.5). 7634p4_flex(174,0.9). 7635p4_pi_doner(174,0.1). 7636p4_polar(174,0.5). 7637p4_h_doner(174,0.1). 7638p4_h_acceptor(174,0.633). 7639p4_size(174,0.6). 7640p4_pi_acceptor(174,0.1). 7641p4_branch(174,0.1). 7642p4_sigma(174,0.367). 7643p4_polarisable(174,0.5). 7644p4_flex(175,0.329). 7645p4_pi_doner(175,0.1). 7646p4_polar(175,0.5). 7647p4_h_doner(175,0.1). 7648p4_h_acceptor(175,0.367). 7649p4_size(175,0.7). 7650p4_pi_acceptor(175,0.1). 7651p4_branch(175,0.3). 7652p4_sigma(175,0.367). 7653p4_polarisable(175,0.5). 7654p4_flex(176,0.557). 7655p4_pi_doner(176,0.9). 7656p4_polar(176,0.5). 7657p4_h_doner(176,0.9). 7658p4_h_acceptor(176,0.9). 7659p4_size(176,0.7). 7660p4_pi_acceptor(176,0.1). 7661p4_branch(176,0.3). 7662p4_sigma(176,0.367). 7663p4_polarisable(176,0.5). 7664p4_flex(177,0.557). 7665p4_pi_doner(177,0.9). 7666p4_polar(177,0.5). 7667p4_h_doner(177,0.9). 7668p4_h_acceptor(177,0.9). 7669p4_size(177,0.7). 7670p4_pi_acceptor(177,0.1). 7671p4_branch(177,0.3). 7672p4_sigma(177,0.367). 7673p4_polarisable(177,0.5). 7674p4_flex(178,0.557). 7675p4_pi_doner(178,0.9). 7676p4_polar(178,0.5). 7677p4_h_doner(178,0.9). 7678p4_h_acceptor(178,0.9). 7679p4_size(178,0.7). 7680p4_pi_acceptor(178,0.1). 7681p4_branch(178,0.3). 7682p4_sigma(178,0.367). 7683p4_polarisable(178,0.5). 7684p4_flex(179,0.671). 7685p4_pi_doner(179,0.9). 7686p4_polar(179,0.5). 7687p4_h_doner(179,0.9). 7688p4_h_acceptor(179,0.9). 7689p4_size(179,0.7). 7690p4_pi_acceptor(179,0.1). 7691p4_branch(179,0.3). 7692p4_sigma(179,0.367). 7693p4_polarisable(179,0.5). 7694p4_flex(180,0.1). 7695p4_pi_doner(180,0.1). 7696p4_polar(180,0.7). 7697p4_h_doner(180,0.1). 7698p4_h_acceptor(180,0.1). 7699p4_size(180,0.2). 7700p4_pi_acceptor(180,0.1). 7701p4_branch(180,0.1). 7702p4_sigma(180,0.9). 7703p4_polarisable(180,0.5). 7704p4_flex(181,0.557). 7705p4_pi_doner(181,0.5). 7706p4_polar(181,0.7). 7707p4_h_doner(181,0.5). 7708p4_h_acceptor(181,0.633). 7709p4_size(181,0.6). 7710p4_pi_acceptor(181,0.5). 7711p4_branch(181,0.3). 7712p4_sigma(181,0.1). 7713p4_polarisable(181,0.5). 7714p4_flex(182,0.329). 7715p4_pi_doner(182,0.5). 7716p4_polar(182,0.5). 7717p4_h_doner(182,0.5). 7718p4_h_acceptor(182,0.633). 7719p4_size(182,0.4). 7720p4_pi_acceptor(182,0.1). 7721p4_branch(182,0.3). 7722p4_sigma(182,0.367). 7723p4_polarisable(182,0.5). 7724p4_flex(183,0.1). 7725p4_pi_doner(183,0.1). 7726p4_polar(183,0.1). 7727p4_h_doner(183,0.1). 7728p4_h_acceptor(183,0.1). 7729p4_size(183,0.1). 7730p4_pi_acceptor(183,0.1). 7731p4_branch(183,0.1). 7732p4_sigma(183,0.1). 7733p4_polarisable(183,0.1). 7734p4_flex(184,0.1). 7735p4_pi_doner(184,0.1). 7736p4_polar(184,0.3). 7737p4_h_doner(184,0.1). 7738p4_h_acceptor(184,0.1). 7739p4_size(184,0.1). 7740p4_pi_acceptor(184,0.1). 7741p4_branch(184,0.1). 7742p4_sigma(184,0.1). 7743p4_polarisable(184,0.1). 7744p4_flex(185,0.1). 7745p4_pi_doner(185,0.1). 7746p4_polar(185,0.1). 7747p4_h_doner(185,0.1). 7748p4_h_acceptor(185,0.1). 7749p4_size(185,0.1). 7750p4_pi_acceptor(185,0.1). 7751p4_branch(185,0.1). 7752p4_sigma(185,0.1). 7753p4_polarisable(185,0.1). 7754p4_flex(186,0.1). 7755p4_pi_doner(186,0.1). 7756p4_polar(186,0.1). 7757p4_h_doner(186,0.1). 7758p4_h_acceptor(186,0.1). 7759p4_size(186,0.1). 7760p4_pi_acceptor(186,0.1). 7761p4_branch(186,0.1). 7762p4_sigma(186,0.1). 7763p4_polarisable(186,0.1). 7764p5_flex(1,0). 7765p5_pi_doner(1,0). 7766p5_polar(1,0.1). 7767p5_h_doner(1,0). 7768p5_h_acceptor(1,0.1). 7769p5_size(1,0.1). 7770p5_pi_acceptor(1,0.1). 7771p5_branch(1,0.1). 7772p5_sigma(1,0.1). 7773p5_polarisable(1,0.1). 7774p5_flex(2,0). 7775p5_pi_doner(2,0). 7776p5_polar(2,0.1). 7777p5_h_doner(2,0). 7778p5_h_acceptor(2,0.1). 7779p5_size(2,0.1). 7780p5_pi_acceptor(2,0.1). 7781p5_branch(2,0.1). 7782p5_sigma(2,0.1). 7783p5_polarisable(2,0.1). 7784p5_flex(3,0). 7785p5_pi_doner(3,0). 7786p5_polar(3,0.1). 7787p5_h_doner(3,0). 7788p5_h_acceptor(3,0.1). 7789p5_size(3,0.1). 7790p5_pi_acceptor(3,0.1). 7791p5_branch(3,0.1). 7792p5_sigma(3,0.1). 7793p5_polarisable(3,0.1). 7794p5_flex(4,0). 7795p5_pi_doner(4,0). 7796p5_polar(4,0.1). 7797p5_h_doner(4,0). 7798p5_h_acceptor(4,0.1). 7799p5_size(4,0.1). 7800p5_pi_acceptor(4,0.1). 7801p5_branch(4,0.1). 7802p5_sigma(4,0.1). 7803p5_polarisable(4,0.1). 7804p5_flex(5,0). 7805p5_pi_doner(5,0). 7806p5_polar(5,0.1). 7807p5_h_doner(5,0). 7808p5_h_acceptor(5,0.1). 7809p5_size(5,0.1). 7810p5_pi_acceptor(5,0.1). 7811p5_branch(5,0.1). 7812p5_sigma(5,0.1). 7813p5_polarisable(5,0.1). 7814p5_flex(6,0). 7815p5_pi_doner(6,0). 7816p5_polar(6,0.1). 7817p5_h_doner(6,0). 7818p5_h_acceptor(6,0.1). 7819p5_size(6,0.1). 7820p5_pi_acceptor(6,0.1). 7821p5_branch(6,0.1). 7822p5_sigma(6,0.1). 7823p5_polarisable(6,0.1). 7824p5_flex(7,0). 7825p5_pi_doner(7,0). 7826p5_polar(7,0.1). 7827p5_h_doner(7,0). 7828p5_h_acceptor(7,0.1). 7829p5_size(7,0.1). 7830p5_pi_acceptor(7,0.1). 7831p5_branch(7,0.1). 7832p5_sigma(7,0.1). 7833p5_polarisable(7,0.1). 7834p5_flex(8,0). 7835p5_pi_doner(8,0). 7836p5_polar(8,0.1). 7837p5_h_doner(8,0). 7838p5_h_acceptor(8,0.1). 7839p5_size(8,0.1). 7840p5_pi_acceptor(8,0.1). 7841p5_branch(8,0.1). 7842p5_sigma(8,0.1). 7843p5_polarisable(8,0.1). 7844p5_flex(9,0). 7845p5_pi_doner(9,0). 7846p5_polar(9,0.1). 7847p5_h_doner(9,0). 7848p5_h_acceptor(9,0.1). 7849p5_size(9,0.1). 7850p5_pi_acceptor(9,0.1). 7851p5_branch(9,0.1). 7852p5_sigma(9,0.1). 7853p5_polarisable(9,0.1). 7854p5_flex(10,0). 7855p5_pi_doner(10,0). 7856p5_polar(10,0.1). 7857p5_h_doner(10,0). 7858p5_h_acceptor(10,0.1). 7859p5_size(10,0.1). 7860p5_pi_acceptor(10,0.1). 7861p5_branch(10,0.1). 7862p5_sigma(10,0.1). 7863p5_polarisable(10,0.1). 7864p5_flex(11,0). 7865p5_pi_doner(11,0). 7866p5_polar(11,0.1). 7867p5_h_doner(11,0). 7868p5_h_acceptor(11,0.1). 7869p5_size(11,0.1). 7870p5_pi_acceptor(11,0.1). 7871p5_branch(11,0.1). 7872p5_sigma(11,0.1). 7873p5_polarisable(11,0.1). 7874p5_flex(12,0). 7875p5_pi_doner(12,0). 7876p5_polar(12,0.1). 7877p5_h_doner(12,0). 7878p5_h_acceptor(12,0.1). 7879p5_size(12,0.1). 7880p5_pi_acceptor(12,0.1). 7881p5_branch(12,0.1). 7882p5_sigma(12,0.1). 7883p5_polarisable(12,0.1). 7884p5_flex(13,0). 7885p5_pi_doner(13,0). 7886p5_polar(13,0.1). 7887p5_h_doner(13,0). 7888p5_h_acceptor(13,0.1). 7889p5_size(13,0.1). 7890p5_pi_acceptor(13,0.1). 7891p5_branch(13,0.1). 7892p5_sigma(13,0.1). 7893p5_polarisable(13,0.1). 7894p5_flex(14,0). 7895p5_pi_doner(14,0). 7896p5_polar(14,0.1). 7897p5_h_doner(14,0). 7898p5_h_acceptor(14,0.1). 7899p5_size(14,0.1). 7900p5_pi_acceptor(14,0.1). 7901p5_branch(14,0.1). 7902p5_sigma(14,0.1). 7903p5_polarisable(14,0.1). 7904p5_flex(15,0). 7905p5_pi_doner(15,0). 7906p5_polar(15,0.1). 7907p5_h_doner(15,0). 7908p5_h_acceptor(15,0.1). 7909p5_size(15,0.1). 7910p5_pi_acceptor(15,0.1). 7911p5_branch(15,0.1). 7912p5_sigma(15,0.1). 7913p5_polarisable(15,0.1). 7914p5_flex(16,0). 7915p5_pi_doner(16,0). 7916p5_polar(16,0.1). 7917p5_h_doner(16,0). 7918p5_h_acceptor(16,0.1). 7919p5_size(16,0.1). 7920p5_pi_acceptor(16,0.1). 7921p5_branch(16,0.1). 7922p5_sigma(16,0.1). 7923p5_polarisable(16,0.1). 7924p5_flex(17,0). 7925p5_pi_doner(17,0). 7926p5_polar(17,0.3). 7927p5_h_doner(17,0). 7928p5_h_acceptor(17,0.1). 7929p5_size(17,0.1). 7930p5_pi_acceptor(17,0.1). 7931p5_branch(17,0.1). 7932p5_sigma(17,0.1). 7933p5_polarisable(17,0.1). 7934p5_flex(18,0). 7935p5_pi_doner(18,0). 7936p5_polar(18,0.3). 7937p5_h_doner(18,0). 7938p5_h_acceptor(18,0.1). 7939p5_size(18,0.1). 7940p5_pi_acceptor(18,0.1). 7941p5_branch(18,0.1). 7942p5_sigma(18,0.1). 7943p5_polarisable(18,0.1). 7944p5_flex(19,0). 7945p5_pi_doner(19,0). 7946p5_polar(19,0.3). 7947p5_h_doner(19,0). 7948p5_h_acceptor(19,0.1). 7949p5_size(19,0.1). 7950p5_pi_acceptor(19,0.1). 7951p5_branch(19,0.1). 7952p5_sigma(19,0.1). 7953p5_polarisable(19,0.1). 7954p5_flex(20,0). 7955p5_pi_doner(20,0). 7956p5_polar(20,0.3). 7957p5_h_doner(20,0). 7958p5_h_acceptor(20,0.1). 7959p5_size(20,0.1). 7960p5_pi_acceptor(20,0.1). 7961p5_branch(20,0.1). 7962p5_sigma(20,0.1). 7963p5_polarisable(20,0.1). 7964p5_flex(21,0). 7965p5_pi_doner(21,0). 7966p5_polar(21,0.3). 7967p5_h_doner(21,0). 7968p5_h_acceptor(21,0.1). 7969p5_size(21,0.1). 7970p5_pi_acceptor(21,0.1). 7971p5_branch(21,0.1). 7972p5_sigma(21,0.1). 7973p5_polarisable(21,0.1). 7974p5_flex(22,0). 7975p5_pi_doner(22,0). 7976p5_polar(22,0.3). 7977p5_h_doner(22,0). 7978p5_h_acceptor(22,0.1). 7979p5_size(22,0.1). 7980p5_pi_acceptor(22,0.1). 7981p5_branch(22,0.1). 7982p5_sigma(22,0.1). 7983p5_polarisable(22,0.1). 7984p5_flex(23,0). 7985p5_pi_doner(23,0). 7986p5_polar(23,0.3). 7987p5_h_doner(23,0). 7988p5_h_acceptor(23,0.1). 7989p5_size(23,0.1). 7990p5_pi_acceptor(23,0.1). 7991p5_branch(23,0.1). 7992p5_sigma(23,0.1). 7993p5_polarisable(23,0.1). 7994p5_flex(24,0). 7995p5_pi_doner(24,0). 7996p5_polar(24,0.3). 7997p5_h_doner(24,0). 7998p5_h_acceptor(24,0.1). 7999p5_size(24,0.1). 8000p5_pi_acceptor(24,0.1). 8001p5_branch(24,0.1). 8002p5_sigma(24,0.1). 8003p5_polarisable(24,0.1). 8004p5_flex(25,0). 8005p5_pi_doner(25,0). 8006p5_polar(25,0.3). 8007p5_h_doner(25,0). 8008p5_h_acceptor(25,0.1). 8009p5_size(25,0.1). 8010p5_pi_acceptor(25,0.1). 8011p5_branch(25,0.1). 8012p5_sigma(25,0.1). 8013p5_polarisable(25,0.1). 8014p5_flex(26,0). 8015p5_pi_doner(26,0). 8016p5_polar(26,0.9). 8017p5_h_doner(26,0). 8018p5_h_acceptor(26,0.1). 8019p5_size(26,0.42). 8020p5_pi_acceptor(26,0.5). 8021p5_branch(26,0.9). 8022p5_sigma(26,0.633). 8023p5_polarisable(26,0.9). 8024p5_flex(27,0). 8025p5_pi_doner(27,0). 8026p5_polar(27,0.3). 8027p5_h_doner(27,0). 8028p5_h_acceptor(27,0.1). 8029p5_size(27,0.1). 8030p5_pi_acceptor(27,0.1). 8031p5_branch(27,0.1). 8032p5_sigma(27,0.1). 8033p5_polarisable(27,0.1). 8034p5_flex(28,0). 8035p5_pi_doner(28,0). 8036p5_polar(28,0.9). 8037p5_h_doner(28,0). 8038p5_h_acceptor(28,0.1). 8039p5_size(28,0.42). 8040p5_pi_acceptor(28,0.5). 8041p5_branch(28,0.9). 8042p5_sigma(28,0.633). 8043p5_polarisable(28,0.9). 8044p5_flex(29,0). 8045p5_pi_doner(29,0). 8046p5_polar(29,0.3). 8047p5_h_doner(29,0). 8048p5_h_acceptor(29,0.1). 8049p5_size(29,0.1). 8050p5_pi_acceptor(29,0.1). 8051p5_branch(29,0.1). 8052p5_sigma(29,0.1). 8053p5_polarisable(29,0.1). 8054p5_flex(30,0). 8055p5_pi_doner(30,0). 8056p5_polar(30,0.3). 8057p5_h_doner(30,0). 8058p5_h_acceptor(30,0.1). 8059p5_size(30,0.1). 8060p5_pi_acceptor(30,0.1). 8061p5_branch(30,0.1). 8062p5_sigma(30,0.1). 8063p5_polarisable(30,0.1). 8064p5_flex(31,0). 8065p5_pi_doner(31,0). 8066p5_polar(31,0.9). 8067p5_h_doner(31,0). 8068p5_h_acceptor(31,0.1). 8069p5_size(31,0.42). 8070p5_pi_acceptor(31,0.5). 8071p5_branch(31,0.9). 8072p5_sigma(31,0.633). 8073p5_polarisable(31,0.9). 8074p5_flex(32,0). 8075p5_pi_doner(32,0). 8076p5_polar(32,0.3). 8077p5_h_doner(32,0). 8078p5_h_acceptor(32,0.1). 8079p5_size(32,0.1). 8080p5_pi_acceptor(32,0.1). 8081p5_branch(32,0.1). 8082p5_sigma(32,0.1). 8083p5_polarisable(32,0.1). 8084p5_flex(33,0). 8085p5_pi_doner(33,0). 8086p5_polar(33,0.3). 8087p5_h_doner(33,0). 8088p5_h_acceptor(33,0.1). 8089p5_size(33,0.26). 8090p5_pi_acceptor(33,0.1). 8091p5_branch(33,0.1). 8092p5_sigma(33,0.1). 8093p5_polarisable(33,0.5). 8094p5_flex(34,0). 8095p5_pi_doner(34,0). 8096p5_polar(34,0.3). 8097p5_h_doner(34,0). 8098p5_h_acceptor(34,0.1). 8099p5_size(34,0.26). 8100p5_pi_acceptor(34,0.1). 8101p5_branch(34,0.1). 8102p5_sigma(34,0.1). 8103p5_polarisable(34,0.5). 8104p5_flex(35,0). 8105p5_pi_doner(35,0). 8106p5_polar(35,0.5). 8107p5_h_doner(35,0). 8108p5_h_acceptor(35,0.5). 8109p5_size(35,0.42). 8110p5_pi_acceptor(35,0.1). 8111p5_branch(35,0.1). 8112p5_sigma(35,0.367). 8113p5_polarisable(35,0.5). 8114p5_flex(36,0). 8115p5_pi_doner(36,0). 8116p5_polar(36,0.9). 8117p5_h_doner(36,0). 8118p5_h_acceptor(36,0.1). 8119p5_size(36,0.42). 8120p5_pi_acceptor(36,0.5). 8121p5_branch(36,0.9). 8122p5_sigma(36,0.633). 8123p5_polarisable(36,0.9). 8124p5_flex(37,0). 8125p5_pi_doner(37,0). 8126p5_polar(37,0.9). 8127p5_h_doner(37,0). 8128p5_h_acceptor(37,0.1). 8129p5_size(37,0.42). 8130p5_pi_acceptor(37,0.5). 8131p5_branch(37,0.9). 8132p5_sigma(37,0.633). 8133p5_polarisable(37,0.9). 8134p5_flex(38,0). 8135p5_pi_doner(38,0). 8136p5_polar(38,0.3). 8137p5_h_doner(38,0). 8138p5_h_acceptor(38,0.1). 8139p5_size(38,0.1). 8140p5_pi_acceptor(38,0.1). 8141p5_branch(38,0.1). 8142p5_sigma(38,0.1). 8143p5_polarisable(38,0.1). 8144p5_flex(39,0). 8145p5_pi_doner(39,0). 8146p5_polar(39,0.3). 8147p5_h_doner(39,0). 8148p5_h_acceptor(39,0.1). 8149p5_size(39,0.1). 8150p5_pi_acceptor(39,0.1). 8151p5_branch(39,0.1). 8152p5_sigma(39,0.1). 8153p5_polarisable(39,0.1). 8154p5_flex(40,0). 8155p5_pi_doner(40,0). 8156p5_polar(40,0.3). 8157p5_h_doner(40,0). 8158p5_h_acceptor(40,0.1). 8159p5_size(40,0.1). 8160p5_pi_acceptor(40,0.1). 8161p5_branch(40,0.1). 8162p5_sigma(40,0.1). 8163p5_polarisable(40,0.1). 8164p5_flex(41,0). 8165p5_pi_doner(41,0). 8166p5_polar(41,0.3). 8167p5_h_doner(41,0). 8168p5_h_acceptor(41,0.1). 8169p5_size(41,0.1). 8170p5_pi_acceptor(41,0.1). 8171p5_branch(41,0.1). 8172p5_sigma(41,0.1). 8173p5_polarisable(41,0.1). 8174p5_flex(42,0). 8175p5_pi_doner(42,0). 8176p5_polar(42,0.9). 8177p5_h_doner(42,0). 8178p5_h_acceptor(42,0.1). 8179p5_size(42,0.42). 8180p5_pi_acceptor(42,0.5). 8181p5_branch(42,0.9). 8182p5_sigma(42,0.633). 8183p5_polarisable(42,0.9). 8184p5_flex(43,0). 8185p5_pi_doner(43,0). 8186p5_polar(43,0.3). 8187p5_h_doner(43,0). 8188p5_h_acceptor(43,0.1). 8189p5_size(43,0.1). 8190p5_pi_acceptor(43,0.1). 8191p5_branch(43,0.1). 8192p5_sigma(43,0.1). 8193p5_polarisable(43,0.1). 8194p5_flex(44,0). 8195p5_pi_doner(44,0). 8196p5_polar(44,0.3). 8197p5_h_doner(44,0). 8198p5_h_acceptor(44,0.1). 8199p5_size(44,0.1). 8200p5_pi_acceptor(44,0.1). 8201p5_branch(44,0.1). 8202p5_sigma(44,0.1). 8203p5_polarisable(44,0.1). 8204p5_flex(45,0). 8205p5_pi_doner(45,0). 8206p5_polar(45,0.3). 8207p5_h_doner(45,0). 8208p5_h_acceptor(45,0.1). 8209p5_size(45,0.1). 8210p5_pi_acceptor(45,0.1). 8211p5_branch(45,0.1). 8212p5_sigma(45,0.1). 8213p5_polarisable(45,0.1). 8214p5_flex(46,0). 8215p5_pi_doner(46,0). 8216p5_polar(46,0.3). 8217p5_h_doner(46,0). 8218p5_h_acceptor(46,0.1). 8219p5_size(46,0.26). 8220p5_pi_acceptor(46,0.1). 8221p5_branch(46,0.1). 8222p5_sigma(46,0.1). 8223p5_polarisable(46,0.5). 8224p5_flex(47,0). 8225p5_pi_doner(47,0). 8226p5_polar(47,0.9). 8227p5_h_doner(47,0). 8228p5_h_acceptor(47,0.1). 8229p5_size(47,0.42). 8230p5_pi_acceptor(47,0.5). 8231p5_branch(47,0.9). 8232p5_sigma(47,0.633). 8233p5_polarisable(47,0.9). 8234p5_flex(48,0). 8235p5_pi_doner(48,0). 8236p5_polar(48,0.3). 8237p5_h_doner(48,0). 8238p5_h_acceptor(48,0.1). 8239p5_size(48,0.1). 8240p5_pi_acceptor(48,0.1). 8241p5_branch(48,0.1). 8242p5_sigma(48,0.1). 8243p5_polarisable(48,0.1). 8244p5_flex(49,0). 8245p5_pi_doner(49,0). 8246p5_polar(49,0.3). 8247p5_h_doner(49,0). 8248p5_h_acceptor(49,0.1). 8249p5_size(49,0.1). 8250p5_pi_acceptor(49,0.1). 8251p5_branch(49,0.1). 8252p5_sigma(49,0.1). 8253p5_polarisable(49,0.1). 8254p5_flex(50,0). 8255p5_pi_doner(50,0). 8256p5_polar(50,0.3). 8257p5_h_doner(50,0). 8258p5_h_acceptor(50,0.1). 8259p5_size(50,0.1). 8260p5_pi_acceptor(50,0.1). 8261p5_branch(50,0.1). 8262p5_sigma(50,0.1). 8263p5_polarisable(50,0.1). 8264p5_flex(51,0). 8265p5_pi_doner(51,0). 8266p5_polar(51,0.3). 8267p5_h_doner(51,0). 8268p5_h_acceptor(51,0.1). 8269p5_size(51,0.1). 8270p5_pi_acceptor(51,0.1). 8271p5_branch(51,0.1). 8272p5_sigma(51,0.1). 8273p5_polarisable(51,0.1). 8274p5_flex(52,0). 8275p5_pi_doner(52,0). 8276p5_polar(52,0.3). 8277p5_h_doner(52,0). 8278p5_h_acceptor(52,0.1). 8279p5_size(52,0.1). 8280p5_pi_acceptor(52,0.1). 8281p5_branch(52,0.1). 8282p5_sigma(52,0.1). 8283p5_polarisable(52,0.1). 8284p5_flex(53,0). 8285p5_pi_doner(53,0). 8286p5_polar(53,0.9). 8287p5_h_doner(53,0). 8288p5_h_acceptor(53,0.1). 8289p5_size(53,0.42). 8290p5_pi_acceptor(53,0.5). 8291p5_branch(53,0.9). 8292p5_sigma(53,0.633). 8293p5_polarisable(53,0.9). 8294p5_flex(54,0). 8295p5_pi_doner(54,0). 8296p5_polar(54,0.3). 8297p5_h_doner(54,0). 8298p5_h_acceptor(54,0.1). 8299p5_size(54,0.1). 8300p5_pi_acceptor(54,0.1). 8301p5_branch(54,0.1). 8302p5_sigma(54,0.1). 8303p5_polarisable(54,0.1). 8304p5_flex(55,0). 8305p5_pi_doner(55,0). 8306p5_polar(55,0.3). 8307p5_h_doner(55,0). 8308p5_h_acceptor(55,0.1). 8309p5_size(55,0.1). 8310p5_pi_acceptor(55,0.1). 8311p5_branch(55,0.1). 8312p5_sigma(55,0.1). 8313p5_polarisable(55,0.1). 8314p5_flex(56,0). 8315p5_pi_doner(56,0). 8316p5_polar(56,0.3). 8317p5_h_doner(56,0). 8318p5_h_acceptor(56,0.1). 8319p5_size(56,0.1). 8320p5_pi_acceptor(56,0.1). 8321p5_branch(56,0.1). 8322p5_sigma(56,0.1). 8323p5_polarisable(56,0.1). 8324p5_flex(57,0). 8325p5_pi_doner(57,0). 8326p5_polar(57,0.3). 8327p5_h_doner(57,0). 8328p5_h_acceptor(57,0.1). 8329p5_size(57,0.1). 8330p5_pi_acceptor(57,0.1). 8331p5_branch(57,0.1). 8332p5_sigma(57,0.1). 8333p5_polarisable(57,0.1). 8334p5_flex(58,0). 8335p5_pi_doner(58,0). 8336p5_polar(58,0.3). 8337p5_h_doner(58,0). 8338p5_h_acceptor(58,0.1). 8339p5_size(58,0.1). 8340p5_pi_acceptor(58,0.1). 8341p5_branch(58,0.1). 8342p5_sigma(58,0.1). 8343p5_polarisable(58,0.1). 8344p5_flex(59,0). 8345p5_pi_doner(59,0). 8346p5_polar(59,0.3). 8347p5_h_doner(59,0). 8348p5_h_acceptor(59,0.1). 8349p5_size(59,0.1). 8350p5_pi_acceptor(59,0.1). 8351p5_branch(59,0.1). 8352p5_sigma(59,0.1). 8353p5_polarisable(59,0.1). 8354p5_flex(60,0). 8355p5_pi_doner(60,0). 8356p5_polar(60,0.3). 8357p5_h_doner(60,0). 8358p5_h_acceptor(60,0.1). 8359p5_size(60,0.1). 8360p5_pi_acceptor(60,0.1). 8361p5_branch(60,0.1). 8362p5_sigma(60,0.1). 8363p5_polarisable(60,0.1). 8364p5_flex(61,0). 8365p5_pi_doner(61,0). 8366p5_polar(61,0.3). 8367p5_h_doner(61,0). 8368p5_h_acceptor(61,0.1). 8369p5_size(61,0.1). 8370p5_pi_acceptor(61,0.1). 8371p5_branch(61,0.1). 8372p5_sigma(61,0.1). 8373p5_polarisable(61,0.1). 8374p5_flex(62,0). 8375p5_pi_doner(62,0). 8376p5_polar(62,0.9). 8377p5_h_doner(62,0). 8378p5_h_acceptor(62,0.1). 8379p5_size(62,0.42). 8380p5_pi_acceptor(62,0.5). 8381p5_branch(62,0.9). 8382p5_sigma(62,0.633). 8383p5_polarisable(62,0.9). 8384p5_flex(63,0). 8385p5_pi_doner(63,0). 8386p5_polar(63,0.3). 8387p5_h_doner(63,0). 8388p5_h_acceptor(63,0.1). 8389p5_size(63,0.1). 8390p5_pi_acceptor(63,0.1). 8391p5_branch(63,0.1). 8392p5_sigma(63,0.1). 8393p5_polarisable(63,0.1). 8394p5_flex(64,0). 8395p5_pi_doner(64,0). 8396p5_polar(64,0.9). 8397p5_h_doner(64,0). 8398p5_h_acceptor(64,0.1). 8399p5_size(64,0.42). 8400p5_pi_acceptor(64,0.5). 8401p5_branch(64,0.9). 8402p5_sigma(64,0.633). 8403p5_polarisable(64,0.9). 8404p5_flex(65,0). 8405p5_pi_doner(65,0). 8406p5_polar(65,0.3). 8407p5_h_doner(65,0). 8408p5_h_acceptor(65,0.1). 8409p5_size(65,0.1). 8410p5_pi_acceptor(65,0.1). 8411p5_branch(65,0.1). 8412p5_sigma(65,0.1). 8413p5_polarisable(65,0.1). 8414p5_flex(66,0). 8415p5_pi_doner(66,0). 8416p5_polar(66,0.3). 8417p5_h_doner(66,0). 8418p5_h_acceptor(66,0.1). 8419p5_size(66,0.1). 8420p5_pi_acceptor(66,0.1). 8421p5_branch(66,0.1). 8422p5_sigma(66,0.1). 8423p5_polarisable(66,0.1). 8424p5_flex(67,0). 8425p5_pi_doner(67,0). 8426p5_polar(67,0.3). 8427p5_h_doner(67,0). 8428p5_h_acceptor(67,0.1). 8429p5_size(67,0.1). 8430p5_pi_acceptor(67,0.1). 8431p5_branch(67,0.1). 8432p5_sigma(67,0.1). 8433p5_polarisable(67,0.1). 8434p5_flex(68,0). 8435p5_pi_doner(68,0). 8436p5_polar(68,0.3). 8437p5_h_doner(68,0). 8438p5_h_acceptor(68,0.1). 8439p5_size(68,0.1). 8440p5_pi_acceptor(68,0.1). 8441p5_branch(68,0.1). 8442p5_sigma(68,0.1). 8443p5_polarisable(68,0.1). 8444p5_flex(69,0). 8445p5_pi_doner(69,0). 8446p5_polar(69,0.3). 8447p5_h_doner(69,0). 8448p5_h_acceptor(69,0.1). 8449p5_size(69,0.1). 8450p5_pi_acceptor(69,0.1). 8451p5_branch(69,0.1). 8452p5_sigma(69,0.1). 8453p5_polarisable(69,0.1). 8454p5_flex(70,0). 8455p5_pi_doner(70,0). 8456p5_polar(70,0.3). 8457p5_h_doner(70,0). 8458p5_h_acceptor(70,0.1). 8459p5_size(70,0.1). 8460p5_pi_acceptor(70,0.1). 8461p5_branch(70,0.1). 8462p5_sigma(70,0.1). 8463p5_polarisable(70,0.1). 8464p5_flex(71,0). 8465p5_pi_doner(71,0). 8466p5_polar(71,0.9). 8467p5_h_doner(71,0). 8468p5_h_acceptor(71,0.1). 8469p5_size(71,0.42). 8470p5_pi_acceptor(71,0.5). 8471p5_branch(71,0.9). 8472p5_sigma(71,0.633). 8473p5_polarisable(71,0.9). 8474p5_flex(72,0). 8475p5_pi_doner(72,0). 8476p5_polar(72,0.1). 8477p5_h_doner(72,0). 8478p5_h_acceptor(72,0.1). 8479p5_size(72,0.1). 8480p5_pi_acceptor(72,0.1). 8481p5_branch(72,0.1). 8482p5_sigma(72,0.1). 8483p5_polarisable(72,0.1). 8484p5_flex(73,0). 8485p5_pi_doner(73,0). 8486p5_polar(73,0.1). 8487p5_h_doner(73,0). 8488p5_h_acceptor(73,0.1). 8489p5_size(73,0.1). 8490p5_pi_acceptor(73,0.1). 8491p5_branch(73,0.1). 8492p5_sigma(73,0.1). 8493p5_polarisable(73,0.1). 8494p5_flex(74,0). 8495p5_pi_doner(74,0). 8496p5_polar(74,0.1). 8497p5_h_doner(74,0). 8498p5_h_acceptor(74,0.1). 8499p5_size(74,0.1). 8500p5_pi_acceptor(74,0.1). 8501p5_branch(74,0.1). 8502p5_sigma(74,0.1). 8503p5_polarisable(74,0.1). 8504p5_flex(75,0). 8505p5_pi_doner(75,0). 8506p5_polar(75,0.1). 8507p5_h_doner(75,0). 8508p5_h_acceptor(75,0.1). 8509p5_size(75,0.1). 8510p5_pi_acceptor(75,0.1). 8511p5_branch(75,0.1). 8512p5_sigma(75,0.1). 8513p5_polarisable(75,0.1). 8514p5_flex(76,0). 8515p5_pi_doner(76,0). 8516p5_polar(76,0.1). 8517p5_h_doner(76,0). 8518p5_h_acceptor(76,0.1). 8519p5_size(76,0.1). 8520p5_pi_acceptor(76,0.1). 8521p5_branch(76,0.1). 8522p5_sigma(76,0.1). 8523p5_polarisable(76,0.1). 8524p5_flex(77,0). 8525p5_pi_doner(77,0). 8526p5_polar(77,0.1). 8527p5_h_doner(77,0). 8528p5_h_acceptor(77,0.1). 8529p5_size(77,0.1). 8530p5_pi_acceptor(77,0.1). 8531p5_branch(77,0.1). 8532p5_sigma(77,0.1). 8533p5_polarisable(77,0.1). 8534p5_flex(78,0). 8535p5_pi_doner(78,0). 8536p5_polar(78,0.1). 8537p5_h_doner(78,0). 8538p5_h_acceptor(78,0.1). 8539p5_size(78,0.1). 8540p5_pi_acceptor(78,0.1). 8541p5_branch(78,0.1). 8542p5_sigma(78,0.1). 8543p5_polarisable(78,0.1). 8544p5_flex(79,0). 8545p5_pi_doner(79,0). 8546p5_polar(79,0.1). 8547p5_h_doner(79,0). 8548p5_h_acceptor(79,0.1). 8549p5_size(79,0.1). 8550p5_pi_acceptor(79,0.1). 8551p5_branch(79,0.1). 8552p5_sigma(79,0.1). 8553p5_polarisable(79,0.1). 8554p5_flex(80,0). 8555p5_pi_doner(80,0). 8556p5_polar(80,0.1). 8557p5_h_doner(80,0). 8558p5_h_acceptor(80,0.1). 8559p5_size(80,0.1). 8560p5_pi_acceptor(80,0.1). 8561p5_branch(80,0.1). 8562p5_sigma(80,0.1). 8563p5_polarisable(80,0.1). 8564p5_flex(81,0). 8565p5_pi_doner(81,0). 8566p5_polar(81,0.1). 8567p5_h_doner(81,0). 8568p5_h_acceptor(81,0.1). 8569p5_size(81,0.1). 8570p5_pi_acceptor(81,0.1). 8571p5_branch(81,0.1). 8572p5_sigma(81,0.1). 8573p5_polarisable(81,0.1). 8574p5_flex(82,0). 8575p5_pi_doner(82,0). 8576p5_polar(82,0.1). 8577p5_h_doner(82,0). 8578p5_h_acceptor(82,0.1). 8579p5_size(82,0.1). 8580p5_pi_acceptor(82,0.1). 8581p5_branch(82,0.1). 8582p5_sigma(82,0.1). 8583p5_polarisable(82,0.1). 8584p5_flex(83,0). 8585p5_pi_doner(83,0). 8586p5_polar(83,0.1). 8587p5_h_doner(83,0). 8588p5_h_acceptor(83,0.1). 8589p5_size(83,0.1). 8590p5_pi_acceptor(83,0.1). 8591p5_branch(83,0.1). 8592p5_sigma(83,0.1). 8593p5_polarisable(83,0.1). 8594p5_flex(84,0). 8595p5_pi_doner(84,0). 8596p5_polar(84,0.1). 8597p5_h_doner(84,0). 8598p5_h_acceptor(84,0.1). 8599p5_size(84,0.1). 8600p5_pi_acceptor(84,0.1). 8601p5_branch(84,0.1). 8602p5_sigma(84,0.1). 8603p5_polarisable(84,0.1). 8604p5_flex(85,0). 8605p5_pi_doner(85,0). 8606p5_polar(85,0.1). 8607p5_h_doner(85,0). 8608p5_h_acceptor(85,0.1). 8609p5_size(85,0.1). 8610p5_pi_acceptor(85,0.1). 8611p5_branch(85,0.1). 8612p5_sigma(85,0.1). 8613p5_polarisable(85,0.1). 8614p5_flex(86,0). 8615p5_pi_doner(86,0). 8616p5_polar(86,0.1). 8617p5_h_doner(86,0). 8618p5_h_acceptor(86,0.1). 8619p5_size(86,0.1). 8620p5_pi_acceptor(86,0.1). 8621p5_branch(86,0.1). 8622p5_sigma(86,0.1). 8623p5_polarisable(86,0.1). 8624p5_flex(87,0). 8625p5_pi_doner(87,0). 8626p5_polar(87,0.1). 8627p5_h_doner(87,0). 8628p5_h_acceptor(87,0.1). 8629p5_size(87,0.1). 8630p5_pi_acceptor(87,0.1). 8631p5_branch(87,0.1). 8632p5_sigma(87,0.1). 8633p5_polarisable(87,0.1). 8634p5_flex(88,0). 8635p5_pi_doner(88,0). 8636p5_polar(88,0.1). 8637p5_h_doner(88,0). 8638p5_h_acceptor(88,0.1). 8639p5_size(88,0.1). 8640p5_pi_acceptor(88,0.1). 8641p5_branch(88,0.1). 8642p5_sigma(88,0.1). 8643p5_polarisable(88,0.1). 8644p5_flex(89,0). 8645p5_pi_doner(89,0). 8646p5_polar(89,0.1). 8647p5_h_doner(89,0). 8648p5_h_acceptor(89,0.1). 8649p5_size(89,0.1). 8650p5_pi_acceptor(89,0.1). 8651p5_branch(89,0.1). 8652p5_sigma(89,0.1). 8653p5_polarisable(89,0.1). 8654p5_flex(90,0). 8655p5_pi_doner(90,0). 8656p5_polar(90,0.1). 8657p5_h_doner(90,0). 8658p5_h_acceptor(90,0.1). 8659p5_size(90,0.1). 8660p5_pi_acceptor(90,0.1). 8661p5_branch(90,0.1). 8662p5_sigma(90,0.1). 8663p5_polarisable(90,0.1). 8664p5_flex(91,0). 8665p5_pi_doner(91,0). 8666p5_polar(91,0.1). 8667p5_h_doner(91,0). 8668p5_h_acceptor(91,0.1). 8669p5_size(91,0.1). 8670p5_pi_acceptor(91,0.1). 8671p5_branch(91,0.1). 8672p5_sigma(91,0.1). 8673p5_polarisable(91,0.1). 8674p5_flex(92,0). 8675p5_pi_doner(92,0). 8676p5_polar(92,0.1). 8677p5_h_doner(92,0). 8678p5_h_acceptor(92,0.1). 8679p5_size(92,0.1). 8680p5_pi_acceptor(92,0.1). 8681p5_branch(92,0.1). 8682p5_sigma(92,0.1). 8683p5_polarisable(92,0.1). 8684p5_flex(93,0). 8685p5_pi_doner(93,0). 8686p5_polar(93,0.1). 8687p5_h_doner(93,0). 8688p5_h_acceptor(93,0.1). 8689p5_size(93,0.1). 8690p5_pi_acceptor(93,0.1). 8691p5_branch(93,0.1). 8692p5_sigma(93,0.1). 8693p5_polarisable(93,0.1). 8694p5_flex(94,0). 8695p5_pi_doner(94,0). 8696p5_polar(94,0.1). 8697p5_h_doner(94,0). 8698p5_h_acceptor(94,0.1). 8699p5_size(94,0.1). 8700p5_pi_acceptor(94,0.1). 8701p5_branch(94,0.1). 8702p5_sigma(94,0.1). 8703p5_polarisable(94,0.1). 8704p5_flex(95,0). 8705p5_pi_doner(95,0). 8706p5_polar(95,0.3). 8707p5_h_doner(95,0). 8708p5_h_acceptor(95,0.1). 8709p5_size(95,0.1). 8710p5_pi_acceptor(95,0.1). 8711p5_branch(95,0.1). 8712p5_sigma(95,0.1). 8713p5_polarisable(95,0.1). 8714p5_flex(96,0). 8715p5_pi_doner(96,0). 8716p5_polar(96,0.1). 8717p5_h_doner(96,0). 8718p5_h_acceptor(96,0.1). 8719p5_size(96,0.1). 8720p5_pi_acceptor(96,0.1). 8721p5_branch(96,0.1). 8722p5_sigma(96,0.1). 8723p5_polarisable(96,0.1). 8724p5_flex(97,0). 8725p5_pi_doner(97,0). 8726p5_polar(97,0.1). 8727p5_h_doner(97,0). 8728p5_h_acceptor(97,0.1). 8729p5_size(97,0.1). 8730p5_pi_acceptor(97,0.1). 8731p5_branch(97,0.1). 8732p5_sigma(97,0.1). 8733p5_polarisable(97,0.1). 8734p5_flex(98,0). 8735p5_pi_doner(98,0). 8736p5_polar(98,0.1). 8737p5_h_doner(98,0). 8738p5_h_acceptor(98,0.1). 8739p5_size(98,0.1). 8740p5_pi_acceptor(98,0.1). 8741p5_branch(98,0.1). 8742p5_sigma(98,0.1). 8743p5_polarisable(98,0.1). 8744p5_flex(99,0). 8745p5_pi_doner(99,0). 8746p5_polar(99,0.1). 8747p5_h_doner(99,0). 8748p5_h_acceptor(99,0.1). 8749p5_size(99,0.1). 8750p5_pi_acceptor(99,0.1). 8751p5_branch(99,0.1). 8752p5_sigma(99,0.1). 8753p5_polarisable(99,0.1). 8754p5_flex(100,0). 8755p5_pi_doner(100,0). 8756p5_polar(100,0.1). 8757p5_h_doner(100,0). 8758p5_h_acceptor(100,0.1). 8759p5_size(100,0.1). 8760p5_pi_acceptor(100,0.1). 8761p5_branch(100,0.1). 8762p5_sigma(100,0.1). 8763p5_polarisable(100,0.1). 8764p5_flex(101,0). 8765p5_pi_doner(101,0). 8766p5_polar(101,0.1). 8767p5_h_doner(101,0). 8768p5_h_acceptor(101,0.1). 8769p5_size(101,0.1). 8770p5_pi_acceptor(101,0.1). 8771p5_branch(101,0.1). 8772p5_sigma(101,0.1). 8773p5_polarisable(101,0.1). 8774p5_flex(102,0). 8775p5_pi_doner(102,0). 8776p5_polar(102,0.1). 8777p5_h_doner(102,0). 8778p5_h_acceptor(102,0.1). 8779p5_size(102,0.1). 8780p5_pi_acceptor(102,0.1). 8781p5_branch(102,0.1). 8782p5_sigma(102,0.1). 8783p5_polarisable(102,0.1). 8784p5_flex(103,0). 8785p5_pi_doner(103,0). 8786p5_polar(103,0.1). 8787p5_h_doner(103,0). 8788p5_h_acceptor(103,0.1). 8789p5_size(103,0.1). 8790p5_pi_acceptor(103,0.1). 8791p5_branch(103,0.1). 8792p5_sigma(103,0.1). 8793p5_polarisable(103,0.1). 8794p5_flex(104,0). 8795p5_pi_doner(104,0). 8796p5_polar(104,0.1). 8797p5_h_doner(104,0). 8798p5_h_acceptor(104,0.1). 8799p5_size(104,0.1). 8800p5_pi_acceptor(104,0.1). 8801p5_branch(104,0.1). 8802p5_sigma(104,0.1). 8803p5_polarisable(104,0.1). 8804p5_flex(105,0). 8805p5_pi_doner(105,0). 8806p5_polar(105,0.1). 8807p5_h_doner(105,0). 8808p5_h_acceptor(105,0.1). 8809p5_size(105,0.1). 8810p5_pi_acceptor(105,0.1). 8811p5_branch(105,0.1). 8812p5_sigma(105,0.1). 8813p5_polarisable(105,0.1). 8814p5_flex(106,0). 8815p5_pi_doner(106,0). 8816p5_polar(106,0.1). 8817p5_h_doner(106,0). 8818p5_h_acceptor(106,0.1). 8819p5_size(106,0.1). 8820p5_pi_acceptor(106,0.1). 8821p5_branch(106,0.1). 8822p5_sigma(106,0.1). 8823p5_polarisable(106,0.1). 8824p5_flex(107,0). 8825p5_pi_doner(107,0). 8826p5_polar(107,0.1). 8827p5_h_doner(107,0). 8828p5_h_acceptor(107,0.1). 8829p5_size(107,0.1). 8830p5_pi_acceptor(107,0.1). 8831p5_branch(107,0.1). 8832p5_sigma(107,0.1). 8833p5_polarisable(107,0.1). 8834p5_flex(108,0). 8835p5_pi_doner(108,0). 8836p5_polar(108,0.1). 8837p5_h_doner(108,0). 8838p5_h_acceptor(108,0.1). 8839p5_size(108,0.1). 8840p5_pi_acceptor(108,0.1). 8841p5_branch(108,0.1). 8842p5_sigma(108,0.1). 8843p5_polarisable(108,0.1). 8844p5_flex(109,0). 8845p5_pi_doner(109,0). 8846p5_polar(109,0.1). 8847p5_h_doner(109,0). 8848p5_h_acceptor(109,0.1). 8849p5_size(109,0.1). 8850p5_pi_acceptor(109,0.1). 8851p5_branch(109,0.1). 8852p5_sigma(109,0.1). 8853p5_polarisable(109,0.1). 8854p5_flex(110,0). 8855p5_pi_doner(110,0). 8856p5_polar(110,0.1). 8857p5_h_doner(110,0). 8858p5_h_acceptor(110,0.1). 8859p5_size(110,0.1). 8860p5_pi_acceptor(110,0.1). 8861p5_branch(110,0.1). 8862p5_sigma(110,0.1). 8863p5_polarisable(110,0.1). 8864p5_flex(111,0). 8865p5_pi_doner(111,0). 8866p5_polar(111,0.1). 8867p5_h_doner(111,0). 8868p5_h_acceptor(111,0.1). 8869p5_size(111,0.1). 8870p5_pi_acceptor(111,0.1). 8871p5_branch(111,0.1). 8872p5_sigma(111,0.1). 8873p5_polarisable(111,0.1). 8874p5_flex(112,0). 8875p5_pi_doner(112,0). 8876p5_polar(112,0.1). 8877p5_h_doner(112,0). 8878p5_h_acceptor(112,0.1). 8879p5_size(112,0.1). 8880p5_pi_acceptor(112,0.1). 8881p5_branch(112,0.1). 8882p5_sigma(112,0.1). 8883p5_polarisable(112,0.1). 8884p5_flex(113,0). 8885p5_pi_doner(113,0). 8886p5_polar(113,0.1). 8887p5_h_doner(113,0). 8888p5_h_acceptor(113,0.1). 8889p5_size(113,0.1). 8890p5_pi_acceptor(113,0.1). 8891p5_branch(113,0.1). 8892p5_sigma(113,0.1). 8893p5_polarisable(113,0.1). 8894p5_flex(114,0). 8895p5_pi_doner(114,0). 8896p5_polar(114,0.1). 8897p5_h_doner(114,0). 8898p5_h_acceptor(114,0.1). 8899p5_size(114,0.1). 8900p5_pi_acceptor(114,0.1). 8901p5_branch(114,0.1). 8902p5_sigma(114,0.1). 8903p5_polarisable(114,0.1). 8904p5_flex(115,0). 8905p5_pi_doner(115,0). 8906p5_polar(115,0.1). 8907p5_h_doner(115,0). 8908p5_h_acceptor(115,0.1). 8909p5_size(115,0.1). 8910p5_pi_acceptor(115,0.1). 8911p5_branch(115,0.1). 8912p5_sigma(115,0.1). 8913p5_polarisable(115,0.1). 8914p5_flex(116,0). 8915p5_pi_doner(116,0). 8916p5_polar(116,0.1). 8917p5_h_doner(116,0). 8918p5_h_acceptor(116,0.1). 8919p5_size(116,0.1). 8920p5_pi_acceptor(116,0.1). 8921p5_branch(116,0.1). 8922p5_sigma(116,0.1). 8923p5_polarisable(116,0.1). 8924p5_flex(117,0). 8925p5_pi_doner(117,0). 8926p5_polar(117,0.1). 8927p5_h_doner(117,0). 8928p5_h_acceptor(117,0.1). 8929p5_size(117,0.1). 8930p5_pi_acceptor(117,0.1). 8931p5_branch(117,0.1). 8932p5_sigma(117,0.1). 8933p5_polarisable(117,0.1). 8934p5_flex(118,0). 8935p5_pi_doner(118,0). 8936p5_polar(118,0.1). 8937p5_h_doner(118,0). 8938p5_h_acceptor(118,0.1). 8939p5_size(118,0.1). 8940p5_pi_acceptor(118,0.1). 8941p5_branch(118,0.1). 8942p5_sigma(118,0.1). 8943p5_polarisable(118,0.1). 8944p5_flex(119,0). 8945p5_pi_doner(119,0). 8946p5_polar(119,0.1). 8947p5_h_doner(119,0). 8948p5_h_acceptor(119,0.1). 8949p5_size(119,0.1). 8950p5_pi_acceptor(119,0.1). 8951p5_branch(119,0.1). 8952p5_sigma(119,0.1). 8953p5_polarisable(119,0.1). 8954p5_flex(120,0). 8955p5_pi_doner(120,0). 8956p5_polar(120,0.1). 8957p5_h_doner(120,0). 8958p5_h_acceptor(120,0.1). 8959p5_size(120,0.1). 8960p5_pi_acceptor(120,0.1). 8961p5_branch(120,0.1). 8962p5_sigma(120,0.1). 8963p5_polarisable(120,0.1). 8964p5_flex(121,0). 8965p5_pi_doner(121,0). 8966p5_polar(121,0.1). 8967p5_h_doner(121,0). 8968p5_h_acceptor(121,0.1). 8969p5_size(121,0.1). 8970p5_pi_acceptor(121,0.1). 8971p5_branch(121,0.1). 8972p5_sigma(121,0.1). 8973p5_polarisable(121,0.1). 8974p5_flex(122,0). 8975p5_pi_doner(122,0). 8976p5_polar(122,0.1). 8977p5_h_doner(122,0). 8978p5_h_acceptor(122,0.1). 8979p5_size(122,0.1). 8980p5_pi_acceptor(122,0.1). 8981p5_branch(122,0.1). 8982p5_sigma(122,0.1). 8983p5_polarisable(122,0.1). 8984p5_flex(123,0). 8985p5_pi_doner(123,0). 8986p5_polar(123,0.1). 8987p5_h_doner(123,0). 8988p5_h_acceptor(123,0.1). 8989p5_size(123,0.1). 8990p5_pi_acceptor(123,0.1). 8991p5_branch(123,0.1). 8992p5_sigma(123,0.1). 8993p5_polarisable(123,0.1). 8994p5_flex(124,0). 8995p5_pi_doner(124,0). 8996p5_polar(124,0.1). 8997p5_h_doner(124,0). 8998p5_h_acceptor(124,0.1). 8999p5_size(124,0.1). 9000p5_pi_acceptor(124,0.1). 9001p5_branch(124,0.1). 9002p5_sigma(124,0.1). 9003p5_polarisable(124,0.1). 9004p5_flex(125,0). 9005p5_pi_doner(125,0). 9006p5_polar(125,0.1). 9007p5_h_doner(125,0). 9008p5_h_acceptor(125,0.1). 9009p5_size(125,0.1). 9010p5_pi_acceptor(125,0.1). 9011p5_branch(125,0.1). 9012p5_sigma(125,0.1). 9013p5_polarisable(125,0.1). 9014p5_flex(126,0). 9015p5_pi_doner(126,0). 9016p5_polar(126,0.1). 9017p5_h_doner(126,0). 9018p5_h_acceptor(126,0.1). 9019p5_size(126,0.1). 9020p5_pi_acceptor(126,0.1). 9021p5_branch(126,0.1). 9022p5_sigma(126,0.1). 9023p5_polarisable(126,0.1). 9024p5_flex(127,0). 9025p5_pi_doner(127,0). 9026p5_polar(127,0.3). 9027p5_h_doner(127,0). 9028p5_h_acceptor(127,0.1). 9029p5_size(127,0.1). 9030p5_pi_acceptor(127,0.1). 9031p5_branch(127,0.1). 9032p5_sigma(127,0.1). 9033p5_polarisable(127,0.1). 9034p5_flex(128,0). 9035p5_pi_doner(128,0). 9036p5_polar(128,0.7). 9037p5_h_doner(128,0). 9038p5_h_acceptor(128,0.1). 9039p5_size(128,0.26). 9040p5_pi_acceptor(128,0.1). 9041p5_branch(128,0.1). 9042p5_sigma(128,0.9). 9043p5_polarisable(128,0.5). 9044p5_flex(129,0). 9045p5_pi_doner(129,0). 9046p5_polar(129,0.9). 9047p5_h_doner(129,0). 9048p5_h_acceptor(129,0.1). 9049p5_size(129,0.42). 9050p5_pi_acceptor(129,0.5). 9051p5_branch(129,0.9). 9052p5_sigma(129,0.633). 9053p5_polarisable(129,0.9). 9054p5_flex(130,0). 9055p5_pi_doner(130,0). 9056p5_polar(130,0.3). 9057p5_h_doner(130,0). 9058p5_h_acceptor(130,0.1). 9059p5_size(130,0.1). 9060p5_pi_acceptor(130,0.1). 9061p5_branch(130,0.1). 9062p5_sigma(130,0.1). 9063p5_polarisable(130,0.1). 9064p5_flex(131,0). 9065p5_pi_doner(131,0). 9066p5_polar(131,0.3). 9067p5_h_doner(131,0). 9068p5_h_acceptor(131,0.1). 9069p5_size(131,0.1). 9070p5_pi_acceptor(131,0.1). 9071p5_branch(131,0.1). 9072p5_sigma(131,0.1). 9073p5_polarisable(131,0.1). 9074p5_flex(132,0). 9075p5_pi_doner(132,0). 9076p5_polar(132,0.7). 9077p5_h_doner(132,0). 9078p5_h_acceptor(132,0.1). 9079p5_size(132,0.26). 9080p5_pi_acceptor(132,0.1). 9081p5_branch(132,0.1). 9082p5_sigma(132,0.9). 9083p5_polarisable(132,0.5). 9084p5_flex(133,0). 9085p5_pi_doner(133,0). 9086p5_polar(133,0.9). 9087p5_h_doner(133,0). 9088p5_h_acceptor(133,0.1). 9089p5_size(133,0.42). 9090p5_pi_acceptor(133,0.5). 9091p5_branch(133,0.9). 9092p5_sigma(133,0.633). 9093p5_polarisable(133,0.9). 9094p5_flex(134,0). 9095p5_pi_doner(134,0). 9096p5_polar(134,0.9). 9097p5_h_doner(134,0). 9098p5_h_acceptor(134,0.1). 9099p5_size(134,0.42). 9100p5_pi_acceptor(134,0.5). 9101p5_branch(134,0.9). 9102p5_sigma(134,0.633). 9103p5_polarisable(134,0.9). 9104p5_flex(135,0). 9105p5_pi_doner(135,0). 9106p5_polar(135,0.3). 9107p5_h_doner(135,0). 9108p5_h_acceptor(135,0.1). 9109p5_size(135,0.1). 9110p5_pi_acceptor(135,0.1). 9111p5_branch(135,0.1). 9112p5_sigma(135,0.1). 9113p5_polarisable(135,0.1). 9114p5_flex(136,0). 9115p5_pi_doner(136,0). 9116p5_polar(136,0.3). 9117p5_h_doner(136,0). 9118p5_h_acceptor(136,0.1). 9119p5_size(136,0.1). 9120p5_pi_acceptor(136,0.1). 9121p5_branch(136,0.1). 9122p5_sigma(136,0.1). 9123p5_polarisable(136,0.1). 9124p5_flex(137,0). 9125p5_pi_doner(137,0). 9126p5_polar(137,0.3). 9127p5_h_doner(137,0). 9128p5_h_acceptor(137,0.1). 9129p5_size(137,0.1). 9130p5_pi_acceptor(137,0.1). 9131p5_branch(137,0.1). 9132p5_sigma(137,0.1). 9133p5_polarisable(137,0.1). 9134p5_flex(138,0). 9135p5_pi_doner(138,0). 9136p5_polar(138,0.7). 9137p5_h_doner(138,0). 9138p5_h_acceptor(138,0.1). 9139p5_size(138,0.26). 9140p5_pi_acceptor(138,0.1). 9141p5_branch(138,0.1). 9142p5_sigma(138,0.9). 9143p5_polarisable(138,0.5). 9144p5_flex(139,0). 9145p5_pi_doner(139,0). 9146p5_polar(139,0.7). 9147p5_h_doner(139,0). 9148p5_h_acceptor(139,0.5). 9149p5_size(139,0.58). 9150p5_pi_acceptor(139,0.5). 9151p5_branch(139,0.9). 9152p5_sigma(139,0.1). 9153p5_polarisable(139,0.5). 9154p5_flex(140,0). 9155p5_pi_doner(140,0). 9156p5_polar(140,0.7). 9157p5_h_doner(140,0). 9158p5_h_acceptor(140,0.5). 9159p5_size(140,0.74). 9160p5_pi_acceptor(140,0.5). 9161p5_branch(140,0.9). 9162p5_sigma(140,0.1). 9163p5_polarisable(140,0.5). 9164p5_flex(141,0). 9165p5_pi_doner(141,0). 9166p5_polar(141,0.7). 9167p5_h_doner(141,0). 9168p5_h_acceptor(141,0.5). 9169p5_size(141,0.74). 9170p5_pi_acceptor(141,0.5). 9171p5_branch(141,0.9). 9172p5_sigma(141,0.1). 9173p5_polarisable(141,0.5). 9174p5_flex(142,0). 9175p5_pi_doner(142,0). 9176p5_polar(142,0.7). 9177p5_h_doner(142,0). 9178p5_h_acceptor(142,0.5). 9179p5_size(142,0.9). 9180p5_pi_acceptor(142,0.5). 9181p5_branch(142,0.9). 9182p5_sigma(142,0.1). 9183p5_polarisable(142,0.5). 9184p5_flex(143,0). 9185p5_pi_doner(143,0). 9186p5_polar(143,0.7). 9187p5_h_doner(143,0). 9188p5_h_acceptor(143,0.9). 9189p5_size(143,0.9). 9190p5_pi_acceptor(143,0.5). 9191p5_branch(143,0.9). 9192p5_sigma(143,0.1). 9193p5_polarisable(143,0.5). 9194p5_flex(144,0). 9195p5_pi_doner(144,0). 9196p5_polar(144,0.9). 9197p5_h_doner(144,0). 9198p5_h_acceptor(144,0.5). 9199p5_size(144,0.26). 9200p5_pi_acceptor(144,0.9). 9201p5_branch(144,0.1). 9202p5_sigma(144,0.1). 9203p5_polarisable(144,0.9). 9204p5_flex(145,0). 9205p5_pi_doner(145,0). 9206p5_polar(145,0.9). 9207p5_h_doner(145,0). 9208p5_h_acceptor(145,0.1). 9209p5_size(145,0.42). 9210p5_pi_acceptor(145,0.5). 9211p5_branch(145,0.9). 9212p5_sigma(145,0.633). 9213p5_polarisable(145,0.9). 9214p5_flex(146,0). 9215p5_pi_doner(146,0). 9216p5_polar(146,0.9). 9217p5_h_doner(146,0). 9218p5_h_acceptor(146,0.1). 9219p5_size(146,0.42). 9220p5_pi_acceptor(146,0.5). 9221p5_branch(146,0.9). 9222p5_sigma(146,0.633). 9223p5_polarisable(146,0.9). 9224p5_flex(147,0). 9225p5_pi_doner(147,0). 9226p5_polar(147,0.3). 9227p5_h_doner(147,0). 9228p5_h_acceptor(147,0.1). 9229p5_size(147,0.1). 9230p5_pi_acceptor(147,0.1). 9231p5_branch(147,0.1). 9232p5_sigma(147,0.1). 9233p5_polarisable(147,0.1). 9234p5_flex(148,0). 9235p5_pi_doner(148,0). 9236p5_polar(148,0.3). 9237p5_h_doner(148,0). 9238p5_h_acceptor(148,0.1). 9239p5_size(148,0.1). 9240p5_pi_acceptor(148,0.1). 9241p5_branch(148,0.1). 9242p5_sigma(148,0.1). 9243p5_polarisable(148,0.1). 9244p5_flex(149,0). 9245p5_pi_doner(149,0). 9246p5_polar(149,0.9). 9247p5_h_doner(149,0). 9248p5_h_acceptor(149,0.1). 9249p5_size(149,0.42). 9250p5_pi_acceptor(149,0.5). 9251p5_branch(149,0.9). 9252p5_sigma(149,0.633). 9253p5_polarisable(149,0.9). 9254p5_flex(150,0). 9255p5_pi_doner(150,0). 9256p5_polar(150,0.3). 9257p5_h_doner(150,0). 9258p5_h_acceptor(150,0.1). 9259p5_size(150,0.1). 9260p5_pi_acceptor(150,0.1). 9261p5_branch(150,0.1). 9262p5_sigma(150,0.1). 9263p5_polarisable(150,0.1). 9264p5_flex(151,0). 9265p5_pi_doner(151,0). 9266p5_polar(151,0.9). 9267p5_h_doner(151,0). 9268p5_h_acceptor(151,0.1). 9269p5_size(151,0.42). 9270p5_pi_acceptor(151,0.5). 9271p5_branch(151,0.9). 9272p5_sigma(151,0.633). 9273p5_polarisable(151,0.9). 9274p5_flex(152,0). 9275p5_pi_doner(152,0). 9276p5_polar(152,0.3). 9277p5_h_doner(152,0). 9278p5_h_acceptor(152,0.1). 9279p5_size(152,0.1). 9280p5_pi_acceptor(152,0.1). 9281p5_branch(152,0.1). 9282p5_sigma(152,0.1). 9283p5_polarisable(152,0.1). 9284p5_flex(153,0). 9285p5_pi_doner(153,0). 9286p5_polar(153,0.3). 9287p5_h_doner(153,0). 9288p5_h_acceptor(153,0.1). 9289p5_size(153,0.1). 9290p5_pi_acceptor(153,0.1). 9291p5_branch(153,0.1). 9292p5_sigma(153,0.1). 9293p5_polarisable(153,0.1). 9294p5_flex(154,0). 9295p5_pi_doner(154,0). 9296p5_polar(154,0.1). 9297p5_h_doner(154,0). 9298p5_h_acceptor(154,0.1). 9299p5_size(154,0.1). 9300p5_pi_acceptor(154,0.1). 9301p5_branch(154,0.1). 9302p5_sigma(154,0.1). 9303p5_polarisable(154,0.1). 9304p5_flex(155,0). 9305p5_pi_doner(155,0). 9306p5_polar(155,0.3). 9307p5_h_doner(155,0). 9308p5_h_acceptor(155,0.1). 9309p5_size(155,0.1). 9310p5_pi_acceptor(155,0.1). 9311p5_branch(155,0.1). 9312p5_sigma(155,0.1). 9313p5_polarisable(155,0.1). 9314p5_flex(156,0). 9315p5_pi_doner(156,0). 9316p5_polar(156,0.3). 9317p5_h_doner(156,0). 9318p5_h_acceptor(156,0.1). 9319p5_size(156,0.26). 9320p5_pi_acceptor(156,0.1). 9321p5_branch(156,0.1). 9322p5_sigma(156,0.1). 9323p5_polarisable(156,0.5). 9324p5_flex(157,0). 9325p5_pi_doner(157,0). 9326p5_polar(157,0.3). 9327p5_h_doner(157,0). 9328p5_h_acceptor(157,0.1). 9329p5_size(157,0.1). 9330p5_pi_acceptor(157,0.1). 9331p5_branch(157,0.1). 9332p5_sigma(157,0.1). 9333p5_polarisable(157,0.1). 9334p5_flex(158,0). 9335p5_pi_doner(158,0). 9336p5_polar(158,0.3). 9337p5_h_doner(158,0). 9338p5_h_acceptor(158,0.1). 9339p5_size(158,0.1). 9340p5_pi_acceptor(158,0.1). 9341p5_branch(158,0.1). 9342p5_sigma(158,0.1). 9343p5_polarisable(158,0.1). 9344p5_flex(159,0). 9345p5_pi_doner(159,0). 9346p5_polar(159,0.3). 9347p5_h_doner(159,0). 9348p5_h_acceptor(159,0.1). 9349p5_size(159,0.1). 9350p5_pi_acceptor(159,0.1). 9351p5_branch(159,0.1). 9352p5_sigma(159,0.1). 9353p5_polarisable(159,0.1). 9354p5_flex(160,0). 9355p5_pi_doner(160,0). 9356p5_polar(160,0.3). 9357p5_h_doner(160,0). 9358p5_h_acceptor(160,0.1). 9359p5_size(160,0.1). 9360p5_pi_acceptor(160,0.1). 9361p5_branch(160,0.1). 9362p5_sigma(160,0.1). 9363p5_polarisable(160,0.1). 9364p5_flex(161,0). 9365p5_pi_doner(161,0). 9366p5_polar(161,0.3). 9367p5_h_doner(161,0). 9368p5_h_acceptor(161,0.1). 9369p5_size(161,0.1). 9370p5_pi_acceptor(161,0.1). 9371p5_branch(161,0.1). 9372p5_sigma(161,0.1). 9373p5_polarisable(161,0.1). 9374p5_flex(162,0). 9375p5_pi_doner(162,0). 9376p5_polar(162,0.3). 9377p5_h_doner(162,0). 9378p5_h_acceptor(162,0.1). 9379p5_size(162,0.1). 9380p5_pi_acceptor(162,0.1). 9381p5_branch(162,0.1). 9382p5_sigma(162,0.1). 9383p5_polarisable(162,0.1). 9384p5_flex(163,0). 9385p5_pi_doner(163,0). 9386p5_polar(163,0.1). 9387p5_h_doner(163,0). 9388p5_h_acceptor(163,0.1). 9389p5_size(163,0.1). 9390p5_pi_acceptor(163,0.1). 9391p5_branch(163,0.1). 9392p5_sigma(163,0.1). 9393p5_polarisable(163,0.1). 9394p5_flex(164,0). 9395p5_pi_doner(164,0). 9396p5_polar(164,0.1). 9397p5_h_doner(164,0). 9398p5_h_acceptor(164,0.1). 9399p5_size(164,0.1). 9400p5_pi_acceptor(164,0.1). 9401p5_branch(164,0.1). 9402p5_sigma(164,0.1). 9403p5_polarisable(164,0.1). 9404p5_flex(165,0). 9405p5_pi_doner(165,0). 9406p5_polar(165,0.1). 9407p5_h_doner(165,0). 9408p5_h_acceptor(165,0.1). 9409p5_size(165,0.1). 9410p5_pi_acceptor(165,0.1). 9411p5_branch(165,0.1). 9412p5_sigma(165,0.1). 9413p5_polarisable(165,0.1). 9414p5_flex(166,0). 9415p5_pi_doner(166,0). 9416p5_polar(166,0.1). 9417p5_h_doner(166,0). 9418p5_h_acceptor(166,0.1). 9419p5_size(166,0.1). 9420p5_pi_acceptor(166,0.1). 9421p5_branch(166,0.1). 9422p5_sigma(166,0.1). 9423p5_polarisable(166,0.1). 9424p5_flex(167,0). 9425p5_pi_doner(167,0). 9426p5_polar(167,0.3). 9427p5_h_doner(167,0). 9428p5_h_acceptor(167,0.1). 9429p5_size(167,0.1). 9430p5_pi_acceptor(167,0.1). 9431p5_branch(167,0.1). 9432p5_sigma(167,0.1). 9433p5_polarisable(167,0.1). 9434p5_flex(168,0). 9435p5_pi_doner(168,0). 9436p5_polar(168,0.3). 9437p5_h_doner(168,0). 9438p5_h_acceptor(168,0.1). 9439p5_size(168,0.26). 9440p5_pi_acceptor(168,0.1). 9441p5_branch(168,0.1). 9442p5_sigma(168,0.1). 9443p5_polarisable(168,0.5). 9444p5_flex(169,0). 9445p5_pi_doner(169,0). 9446p5_polar(169,0.3). 9447p5_h_doner(169,0). 9448p5_h_acceptor(169,0.1). 9449p5_size(169,0.1). 9450p5_pi_acceptor(169,0.1). 9451p5_branch(169,0.1). 9452p5_sigma(169,0.1). 9453p5_polarisable(169,0.1). 9454p5_flex(170,0). 9455p5_pi_doner(170,0). 9456p5_polar(170,0.3). 9457p5_h_doner(170,0). 9458p5_h_acceptor(170,0.1). 9459p5_size(170,0.1). 9460p5_pi_acceptor(170,0.1). 9461p5_branch(170,0.1). 9462p5_sigma(170,0.1). 9463p5_polarisable(170,0.1). 9464p5_flex(171,0). 9465p5_pi_doner(171,0). 9466p5_polar(171,0.9). 9467p5_h_doner(171,0). 9468p5_h_acceptor(171,0.1). 9469p5_size(171,0.42). 9470p5_pi_acceptor(171,0.5). 9471p5_branch(171,0.9). 9472p5_sigma(171,0.633). 9473p5_polarisable(171,0.9). 9474p5_flex(172,0). 9475p5_pi_doner(172,0). 9476p5_polar(172,0.3). 9477p5_h_doner(172,0). 9478p5_h_acceptor(172,0.1). 9479p5_size(172,0.1). 9480p5_pi_acceptor(172,0.1). 9481p5_branch(172,0.1). 9482p5_sigma(172,0.1). 9483p5_polarisable(172,0.1). 9484p5_flex(173,0). 9485p5_pi_doner(173,0). 9486p5_polar(173,0.3). 9487p5_h_doner(173,0). 9488p5_h_acceptor(173,0.1). 9489p5_size(173,0.1). 9490p5_pi_acceptor(173,0.1). 9491p5_branch(173,0.1). 9492p5_sigma(173,0.1). 9493p5_polarisable(173,0.1). 9494p5_flex(174,0). 9495p5_pi_doner(174,0). 9496p5_polar(174,0.3). 9497p5_h_doner(174,0). 9498p5_h_acceptor(174,0.1). 9499p5_size(174,0.1). 9500p5_pi_acceptor(174,0.1). 9501p5_branch(174,0.1). 9502p5_sigma(174,0.1). 9503p5_polarisable(174,0.1). 9504p5_flex(175,0). 9505p5_pi_doner(175,0). 9506p5_polar(175,0.3). 9507p5_h_doner(175,0). 9508p5_h_acceptor(175,0.1). 9509p5_size(175,0.1). 9510p5_pi_acceptor(175,0.1). 9511p5_branch(175,0.1). 9512p5_sigma(175,0.1). 9513p5_polarisable(175,0.1). 9514p5_flex(176,0). 9515p5_pi_doner(176,0). 9516p5_polar(176,0.3). 9517p5_h_doner(176,0). 9518p5_h_acceptor(176,0.1). 9519p5_size(176,0.1). 9520p5_pi_acceptor(176,0.1). 9521p5_branch(176,0.1). 9522p5_sigma(176,0.1). 9523p5_polarisable(176,0.1). 9524p5_flex(177,0). 9525p5_pi_doner(177,0). 9526p5_polar(177,0.9). 9527p5_h_doner(177,0). 9528p5_h_acceptor(177,0.1). 9529p5_size(177,0.42). 9530p5_pi_acceptor(177,0.5). 9531p5_branch(177,0.9). 9532p5_sigma(177,0.633). 9533p5_polarisable(177,0.9). 9534p5_flex(178,0). 9535p5_pi_doner(178,0). 9536p5_polar(178,0.9). 9537p5_h_doner(178,0). 9538p5_h_acceptor(178,0.1). 9539p5_size(178,0.42). 9540p5_pi_acceptor(178,0.5). 9541p5_branch(178,0.9). 9542p5_sigma(178,0.633). 9543p5_polarisable(178,0.9). 9544p5_flex(179,0). 9545p5_pi_doner(179,0). 9546p5_polar(179,0.9). 9547p5_h_doner(179,0). 9548p5_h_acceptor(179,0.1). 9549p5_size(179,0.42). 9550p5_pi_acceptor(179,0.5). 9551p5_branch(179,0.9). 9552p5_sigma(179,0.633). 9553p5_polarisable(179,0.9). 9554p5_flex(180,0). 9555p5_pi_doner(180,0). 9556p5_polar(180,0.1). 9557p5_h_doner(180,0). 9558p5_h_acceptor(180,0.1). 9559p5_size(180,0.1). 9560p5_pi_acceptor(180,0.1). 9561p5_branch(180,0.1). 9562p5_sigma(180,0.1). 9563p5_polarisable(180,0.1). 9564p5_flex(181,0). 9565p5_pi_doner(181,0). 9566p5_polar(181,0.3). 9567p5_h_doner(181,0). 9568p5_h_acceptor(181,0.1). 9569p5_size(181,0.1). 9570p5_pi_acceptor(181,0.1). 9571p5_branch(181,0.1). 9572p5_sigma(181,0.1). 9573p5_polarisable(181,0.1). 9574p5_flex(182,0). 9575p5_pi_doner(182,0). 9576p5_polar(182,0.3). 9577p5_h_doner(182,0). 9578p5_h_acceptor(182,0.1). 9579p5_size(182,0.1). 9580p5_pi_acceptor(182,0.1). 9581p5_branch(182,0.1). 9582p5_sigma(182,0.1). 9583p5_polarisable(182,0.1). 9584p5_flex(183,0). 9585p5_pi_doner(183,0). 9586p5_polar(183,0.1). 9587p5_h_doner(183,0). 9588p5_h_acceptor(183,0.1). 9589p5_size(183,0.1). 9590p5_pi_acceptor(183,0.1). 9591p5_branch(183,0.1). 9592p5_sigma(183,0.1). 9593p5_polarisable(183,0.1). 9594p5_flex(184,0). 9595p5_pi_doner(184,0). 9596p5_polar(184,0.1). 9597p5_h_doner(184,0). 9598p5_h_acceptor(184,0.1). 9599p5_size(184,0.1). 9600p5_pi_acceptor(184,0.1). 9601p5_branch(184,0.1). 9602p5_sigma(184,0.1). 9603p5_polarisable(184,0.1). 9604p5_flex(185,0). 9605p5_pi_doner(185,0). 9606p5_polar(185,0.1). 9607p5_h_doner(185,0). 9608p5_h_acceptor(185,0.1). 9609p5_size(185,0.1). 9610p5_pi_acceptor(185,0.1). 9611p5_branch(185,0.1). 9612p5_sigma(185,0.1). 9613p5_polarisable(185,0.1). 9614p5_flex(186,0). 9615p5_pi_doner(186,0). 9616p5_polar(186,0.1). 9617p5_h_doner(186,0). 9618p5_h_acceptor(186,0.1). 9619p5_size(186,0.1). 9620p5_pi_acceptor(186,0.1). 9621p5_branch(186,0.1). 9622p5_sigma(186,0.1). 9623p5_polarisable(186,0.1). 9624p6_flex(1,0.1). 9625p6_pi_doner(1,0.1). 9626p6_polar(1,0.1). 9627p6_h_doner(1,0.1). 9628p6_h_acceptor(1,0.1). 9629p6_size(1,0.1). 9630p6_pi_acceptor(1,0.1). 9631p6_branch(1,0.1). 9632p6_sigma(1,0.1). 9633p6_polarisable(1,0.1). 9634p6_flex(2,0.1). 9635p6_pi_doner(2,0.1). 9636p6_polar(2,0.1). 9637p6_h_doner(2,0.1). 9638p6_h_acceptor(2,0.1). 9639p6_size(2,0.1). 9640p6_pi_acceptor(2,0.1). 9641p6_branch(2,0.1). 9642p6_sigma(2,0.1). 9643p6_polarisable(2,0.1). 9644p6_flex(3,0.1). 9645p6_pi_doner(3,0.1). 9646p6_polar(3,0.1). 9647p6_h_doner(3,0.1). 9648p6_h_acceptor(3,0.1). 9649p6_size(3,0.1). 9650p6_pi_acceptor(3,0.1). 9651p6_branch(3,0.1). 9652p6_sigma(3,0.1). 9653p6_polarisable(3,0.1). 9654p6_flex(4,0.1). 9655p6_pi_doner(4,0.1). 9656p6_polar(4,0.1). 9657p6_h_doner(4,0.1). 9658p6_h_acceptor(4,0.1). 9659p6_size(4,0.1). 9660p6_pi_acceptor(4,0.1). 9661p6_branch(4,0.1). 9662p6_sigma(4,0.1). 9663p6_polarisable(4,0.1). 9664p6_flex(5,0.1). 9665p6_pi_doner(5,0.1). 9666p6_polar(5,0.1). 9667p6_h_doner(5,0.1). 9668p6_h_acceptor(5,0.1). 9669p6_size(5,0.1). 9670p6_pi_acceptor(5,0.1). 9671p6_branch(5,0.1). 9672p6_sigma(5,0.1). 9673p6_polarisable(5,0.1). 9674p6_flex(6,0.1). 9675p6_pi_doner(6,0.1). 9676p6_polar(6,0.1). 9677p6_h_doner(6,0.1). 9678p6_h_acceptor(6,0.1). 9679p6_size(6,0.1). 9680p6_pi_acceptor(6,0.1). 9681p6_branch(6,0.1). 9682p6_sigma(6,0.1). 9683p6_polarisable(6,0.1). 9684p6_flex(7,0.1). 9685p6_pi_doner(7,0.1). 9686p6_polar(7,0.1). 9687p6_h_doner(7,0.1). 9688p6_h_acceptor(7,0.1). 9689p6_size(7,0.1). 9690p6_pi_acceptor(7,0.1). 9691p6_branch(7,0.1). 9692p6_sigma(7,0.1). 9693p6_polarisable(7,0.1). 9694p6_flex(8,0.1). 9695p6_pi_doner(8,0.1). 9696p6_polar(8,0.1). 9697p6_h_doner(8,0.1). 9698p6_h_acceptor(8,0.1). 9699p6_size(8,0.1). 9700p6_pi_acceptor(8,0.1). 9701p6_branch(8,0.1). 9702p6_sigma(8,0.1). 9703p6_polarisable(8,0.1). 9704p6_flex(9,0.1). 9705p6_pi_doner(9,0.1). 9706p6_polar(9,0.1). 9707p6_h_doner(9,0.1). 9708p6_h_acceptor(9,0.1). 9709p6_size(9,0.1). 9710p6_pi_acceptor(9,0.1). 9711p6_branch(9,0.1). 9712p6_sigma(9,0.1). 9713p6_polarisable(9,0.1). 9714p6_flex(10,0.1). 9715p6_pi_doner(10,0.1). 9716p6_polar(10,0.1). 9717p6_h_doner(10,0.1). 9718p6_h_acceptor(10,0.1). 9719p6_size(10,0.1). 9720p6_pi_acceptor(10,0.1). 9721p6_branch(10,0.1). 9722p6_sigma(10,0.1). 9723p6_polarisable(10,0.1). 9724p6_flex(11,0.1). 9725p6_pi_doner(11,0.1). 9726p6_polar(11,0.1). 9727p6_h_doner(11,0.1). 9728p6_h_acceptor(11,0.1). 9729p6_size(11,0.1). 9730p6_pi_acceptor(11,0.1). 9731p6_branch(11,0.1). 9732p6_sigma(11,0.1). 9733p6_polarisable(11,0.1). 9734p6_flex(12,0.1). 9735p6_pi_doner(12,0.1). 9736p6_polar(12,0.1). 9737p6_h_doner(12,0.1). 9738p6_h_acceptor(12,0.1). 9739p6_size(12,0.1). 9740p6_pi_acceptor(12,0.1). 9741p6_branch(12,0.1). 9742p6_sigma(12,0.1). 9743p6_polarisable(12,0.1). 9744p6_flex(13,0.1). 9745p6_pi_doner(13,0.1). 9746p6_polar(13,0.1). 9747p6_h_doner(13,0.1). 9748p6_h_acceptor(13,0.1). 9749p6_size(13,0.1). 9750p6_pi_acceptor(13,0.1). 9751p6_branch(13,0.1). 9752p6_sigma(13,0.1). 9753p6_polarisable(13,0.1). 9754p6_flex(14,0.1). 9755p6_pi_doner(14,0.1). 9756p6_polar(14,0.1). 9757p6_h_doner(14,0.1). 9758p6_h_acceptor(14,0.1). 9759p6_size(14,0.1). 9760p6_pi_acceptor(14,0.1). 9761p6_branch(14,0.1). 9762p6_sigma(14,0.1). 9763p6_polarisable(14,0.1). 9764p6_flex(15,0.1). 9765p6_pi_doner(15,0.1). 9766p6_polar(15,0.1). 9767p6_h_doner(15,0.1). 9768p6_h_acceptor(15,0.1). 9769p6_size(15,0.1). 9770p6_pi_acceptor(15,0.1). 9771p6_branch(15,0.1). 9772p6_sigma(15,0.1). 9773p6_polarisable(15,0.1). 9774p6_flex(16,0.1). 9775p6_pi_doner(16,0.1). 9776p6_polar(16,0.1). 9777p6_h_doner(16,0.1). 9778p6_h_acceptor(16,0.1). 9779p6_size(16,0.1). 9780p6_pi_acceptor(16,0.1). 9781p6_branch(16,0.1). 9782p6_sigma(16,0.1). 9783p6_polarisable(16,0.1). 9784p6_flex(17,0.1). 9785p6_pi_doner(17,0.1). 9786p6_polar(17,0.3). 9787p6_h_doner(17,0.1). 9788p6_h_acceptor(17,0.1). 9789p6_size(17,0.1). 9790p6_pi_acceptor(17,0.1). 9791p6_branch(17,0.1). 9792p6_sigma(17,0.1). 9793p6_polarisable(17,0.1). 9794p6_flex(18,0.1). 9795p6_pi_doner(18,0.1). 9796p6_polar(18,0.3). 9797p6_h_doner(18,0.1). 9798p6_h_acceptor(18,0.1). 9799p6_size(18,0.1). 9800p6_pi_acceptor(18,0.1). 9801p6_branch(18,0.1). 9802p6_sigma(18,0.1). 9803p6_polarisable(18,0.1). 9804p6_flex(19,0.1). 9805p6_pi_doner(19,0.1). 9806p6_polar(19,0.3). 9807p6_h_doner(19,0.1). 9808p6_h_acceptor(19,0.1). 9809p6_size(19,0.1). 9810p6_pi_acceptor(19,0.1). 9811p6_branch(19,0.1). 9812p6_sigma(19,0.1). 9813p6_polarisable(19,0.1). 9814p6_flex(20,0.1). 9815p6_pi_doner(20,0.1). 9816p6_polar(20,0.9). 9817p6_h_doner(20,0.1). 9818p6_h_acceptor(20,0.1). 9819p6_size(20,0.5). 9820p6_pi_acceptor(20,0.9). 9821p6_branch(20,0.633). 9822p6_sigma(20,0.633). 9823p6_polarisable(20,0.9). 9824p6_flex(21,0.1). 9825p6_pi_doner(21,0.1). 9826p6_polar(21,0.3). 9827p6_h_doner(21,0.1). 9828p6_h_acceptor(21,0.1). 9829p6_size(21,0.1). 9830p6_pi_acceptor(21,0.1). 9831p6_branch(21,0.1). 9832p6_sigma(21,0.1). 9833p6_polarisable(21,0.1). 9834p6_flex(22,0.1). 9835p6_pi_doner(22,0.1). 9836p6_polar(22,0.9). 9837p6_h_doner(22,0.1). 9838p6_h_acceptor(22,0.1). 9839p6_size(22,0.5). 9840p6_pi_acceptor(22,0.9). 9841p6_branch(22,0.633). 9842p6_sigma(22,0.633). 9843p6_polarisable(22,0.9). 9844p6_flex(23,0.1). 9845p6_pi_doner(23,0.1). 9846p6_polar(23,0.9). 9847p6_h_doner(23,0.1). 9848p6_h_acceptor(23,0.1). 9849p6_size(23,0.5). 9850p6_pi_acceptor(23,0.9). 9851p6_branch(23,0.633). 9852p6_sigma(23,0.633). 9853p6_polarisable(23,0.9). 9854p6_flex(24,0.1). 9855p6_pi_doner(24,0.1). 9856p6_polar(24,0.3). 9857p6_h_doner(24,0.1). 9858p6_h_acceptor(24,0.1). 9859p6_size(24,0.1). 9860p6_pi_acceptor(24,0.1). 9861p6_branch(24,0.1). 9862p6_sigma(24,0.1). 9863p6_polarisable(24,0.1). 9864p6_flex(25,0.1). 9865p6_pi_doner(25,0.1). 9866p6_polar(25,0.9). 9867p6_h_doner(25,0.1). 9868p6_h_acceptor(25,0.1). 9869p6_size(25,0.5). 9870p6_pi_acceptor(25,0.9). 9871p6_branch(25,0.633). 9872p6_sigma(25,0.633). 9873p6_polarisable(25,0.9). 9874p6_flex(26,0.1). 9875p6_pi_doner(26,0.1). 9876p6_polar(26,0.3). 9877p6_h_doner(26,0.1). 9878p6_h_acceptor(26,0.1). 9879p6_size(26,0.1). 9880p6_pi_acceptor(26,0.1). 9881p6_branch(26,0.1). 9882p6_sigma(26,0.1). 9883p6_polarisable(26,0.1). 9884p6_flex(27,0.1). 9885p6_pi_doner(27,0.1). 9886p6_polar(27,0.9). 9887p6_h_doner(27,0.1). 9888p6_h_acceptor(27,0.1). 9889p6_size(27,0.5). 9890p6_pi_acceptor(27,0.9). 9891p6_branch(27,0.633). 9892p6_sigma(27,0.633). 9893p6_polarisable(27,0.9). 9894p6_flex(28,0.1). 9895p6_pi_doner(28,0.1). 9896p6_polar(28,0.3). 9897p6_h_doner(28,0.1). 9898p6_h_acceptor(28,0.1). 9899p6_size(28,0.1). 9900p6_pi_acceptor(28,0.1). 9901p6_branch(28,0.1). 9902p6_sigma(28,0.1). 9903p6_polarisable(28,0.1). 9904p6_flex(29,0.1). 9905p6_pi_doner(29,0.1). 9906p6_polar(29,0.3). 9907p6_h_doner(29,0.1). 9908p6_h_acceptor(29,0.1). 9909p6_size(29,0.1). 9910p6_pi_acceptor(29,0.1). 9911p6_branch(29,0.1). 9912p6_sigma(29,0.1). 9913p6_polarisable(29,0.1). 9914p6_flex(30,0.1). 9915p6_pi_doner(30,0.1). 9916p6_polar(30,0.9). 9917p6_h_doner(30,0.1). 9918p6_h_acceptor(30,0.1). 9919p6_size(30,0.5). 9920p6_pi_acceptor(30,0.9). 9921p6_branch(30,0.633). 9922p6_sigma(30,0.633). 9923p6_polarisable(30,0.9). 9924p6_flex(31,0.1). 9925p6_pi_doner(31,0.1). 9926p6_polar(31,0.3). 9927p6_h_doner(31,0.1). 9928p6_h_acceptor(31,0.1). 9929p6_size(31,0.1). 9930p6_pi_acceptor(31,0.1). 9931p6_branch(31,0.1). 9932p6_sigma(31,0.1). 9933p6_polarisable(31,0.1). 9934p6_flex(32,0.1). 9935p6_pi_doner(32,0.1). 9936p6_polar(32,0.9). 9937p6_h_doner(32,0.1). 9938p6_h_acceptor(32,0.1). 9939p6_size(32,0.5). 9940p6_pi_acceptor(32,0.9). 9941p6_branch(32,0.633). 9942p6_sigma(32,0.633). 9943p6_polarisable(32,0.9). 9944p6_flex(33,0.1). 9945p6_pi_doner(33,0.1). 9946p6_polar(33,0.9). 9947p6_h_doner(33,0.1). 9948p6_h_acceptor(33,0.1). 9949p6_size(33,0.5). 9950p6_pi_acceptor(33,0.9). 9951p6_branch(33,0.633). 9952p6_sigma(33,0.633). 9953p6_polarisable(33,0.9). 9954p6_flex(34,0.1). 9955p6_pi_doner(34,0.1). 9956p6_polar(34,0.9). 9957p6_h_doner(34,0.1). 9958p6_h_acceptor(34,0.1). 9959p6_size(34,0.5). 9960p6_pi_acceptor(34,0.9). 9961p6_branch(34,0.633). 9962p6_sigma(34,0.633). 9963p6_polarisable(34,0.9). 9964p6_flex(35,0.1). 9965p6_pi_doner(35,0.1). 9966p6_polar(35,0.9). 9967p6_h_doner(35,0.1). 9968p6_h_acceptor(35,0.1). 9969p6_size(35,0.5). 9970p6_pi_acceptor(35,0.9). 9971p6_branch(35,0.633). 9972p6_sigma(35,0.633). 9973p6_polarisable(35,0.9). 9974p6_flex(36,0.1). 9975p6_pi_doner(36,0.1). 9976p6_polar(36,0.3). 9977p6_h_doner(36,0.1). 9978p6_h_acceptor(36,0.1). 9979p6_size(36,0.1). 9980p6_pi_acceptor(36,0.1). 9981p6_branch(36,0.1). 9982p6_sigma(36,0.1). 9983p6_polarisable(36,0.1). 9984p6_flex(37,0.1). 9985p6_pi_doner(37,0.1). 9986p6_polar(37,0.5). 9987p6_h_doner(37,0.1). 9988p6_h_acceptor(37,0.9). 9989p6_size(37,0.5). 9990p6_pi_acceptor(37,0.1). 9991p6_branch(37,0.1). 9992p6_sigma(37,0.367). 9993p6_polarisable(37,0.5). 9994p6_flex(38,0.1). 9995p6_pi_doner(38,0.1). 9996p6_polar(38,0.9). 9997p6_h_doner(38,0.1). 9998p6_h_acceptor(38,0.1). 9999p6_size(38,0.5). 10000p6_pi_acceptor(38,0.9). 10001p6_branch(38,0.633). 10002p6_sigma(38,0.633). 10003p6_polarisable(38,0.9). 10004p6_flex(39,0.1). 10005p6_pi_doner(39,0.1). 10006p6_polar(39,0.9). 10007p6_h_doner(39,0.1). 10008p6_h_acceptor(39,0.1). 10009p6_size(39,0.5). 10010p6_pi_acceptor(39,0.9). 10011p6_branch(39,0.633). 10012p6_sigma(39,0.633). 10013p6_polarisable(39,0.9). 10014p6_flex(40,0.1). 10015p6_pi_doner(40,0.1). 10016p6_polar(40,0.3). 10017p6_h_doner(40,0.1). 10018p6_h_acceptor(40,0.1). 10019p6_size(40,0.1). 10020p6_pi_acceptor(40,0.1). 10021p6_branch(40,0.1). 10022p6_sigma(40,0.1). 10023p6_polarisable(40,0.1). 10024p6_flex(41,0.1). 10025p6_pi_doner(41,0.1). 10026p6_polar(41,0.9). 10027p6_h_doner(41,0.1). 10028p6_h_acceptor(41,0.1). 10029p6_size(41,0.5). 10030p6_pi_acceptor(41,0.9). 10031p6_branch(41,0.633). 10032p6_sigma(41,0.633). 10033p6_polarisable(41,0.9). 10034p6_flex(42,0.1). 10035p6_pi_doner(42,0.1). 10036p6_polar(42,0.3). 10037p6_h_doner(42,0.1). 10038p6_h_acceptor(42,0.1). 10039p6_size(42,0.1). 10040p6_pi_acceptor(42,0.1). 10041p6_branch(42,0.1). 10042p6_sigma(42,0.1). 10043p6_polarisable(42,0.1). 10044p6_flex(43,0.9). 10045p6_pi_doner(43,0.9). 10046p6_polar(43,0.5). 10047p6_h_doner(43,0.9). 10048p6_h_acceptor(43,0.9). 10049p6_size(43,0.7). 10050p6_pi_acceptor(43,0.1). 10051p6_branch(43,0.367). 10052p6_sigma(43,0.367). 10053p6_polarisable(43,0.5). 10054p6_flex(44,0.1). 10055p6_pi_doner(44,0.1). 10056p6_polar(44,0.9). 10057p6_h_doner(44,0.1). 10058p6_h_acceptor(44,0.1). 10059p6_size(44,0.5). 10060p6_pi_acceptor(44,0.9). 10061p6_branch(44,0.633). 10062p6_sigma(44,0.633). 10063p6_polarisable(44,0.9). 10064p6_flex(45,0.1). 10065p6_pi_doner(45,0.1). 10066p6_polar(45,0.9). 10067p6_h_doner(45,0.1). 10068p6_h_acceptor(45,0.1). 10069p6_size(45,0.5). 10070p6_pi_acceptor(45,0.9). 10071p6_branch(45,0.633). 10072p6_sigma(45,0.633). 10073p6_polarisable(45,0.9). 10074p6_flex(46,0.1). 10075p6_pi_doner(46,0.1). 10076p6_polar(46,0.9). 10077p6_h_doner(46,0.1). 10078p6_h_acceptor(46,0.1). 10079p6_size(46,0.5). 10080p6_pi_acceptor(46,0.9). 10081p6_branch(46,0.633). 10082p6_sigma(46,0.633). 10083p6_polarisable(46,0.9). 10084p6_flex(47,0.1). 10085p6_pi_doner(47,0.1). 10086p6_polar(47,0.3). 10087p6_h_doner(47,0.1). 10088p6_h_acceptor(47,0.1). 10089p6_size(47,0.1). 10090p6_pi_acceptor(47,0.1). 10091p6_branch(47,0.1). 10092p6_sigma(47,0.1). 10093p6_polarisable(47,0.1). 10094p6_flex(48,0.1). 10095p6_pi_doner(48,0.1). 10096p6_polar(48,0.3). 10097p6_h_doner(48,0.1). 10098p6_h_acceptor(48,0.1). 10099p6_size(48,0.1). 10100p6_pi_acceptor(48,0.1). 10101p6_branch(48,0.1). 10102p6_sigma(48,0.1). 10103p6_polarisable(48,0.1). 10104p6_flex(49,0.1). 10105p6_pi_doner(49,0.1). 10106p6_polar(49,0.9). 10107p6_h_doner(49,0.1). 10108p6_h_acceptor(49,0.1). 10109p6_size(49,0.5). 10110p6_pi_acceptor(49,0.9). 10111p6_branch(49,0.633). 10112p6_sigma(49,0.633). 10113p6_polarisable(49,0.9). 10114p6_flex(50,0.1). 10115p6_pi_doner(50,0.1). 10116p6_polar(50,0.3). 10117p6_h_doner(50,0.1). 10118p6_h_acceptor(50,0.1). 10119p6_size(50,0.1). 10120p6_pi_acceptor(50,0.1). 10121p6_branch(50,0.1). 10122p6_sigma(50,0.1). 10123p6_polarisable(50,0.1). 10124p6_flex(51,0.1). 10125p6_pi_doner(51,0.1). 10126p6_polar(51,0.9). 10127p6_h_doner(51,0.1). 10128p6_h_acceptor(51,0.1). 10129p6_size(51,0.5). 10130p6_pi_acceptor(51,0.9). 10131p6_branch(51,0.633). 10132p6_sigma(51,0.633). 10133p6_polarisable(51,0.9). 10134p6_flex(52,0.1). 10135p6_pi_doner(52,0.1). 10136p6_polar(52,0.9). 10137p6_h_doner(52,0.1). 10138p6_h_acceptor(52,0.1). 10139p6_size(52,0.5). 10140p6_pi_acceptor(52,0.9). 10141p6_branch(52,0.633). 10142p6_sigma(52,0.633). 10143p6_polarisable(52,0.9). 10144p6_flex(53,0.1). 10145p6_pi_doner(53,0.1). 10146p6_polar(53,0.3). 10147p6_h_doner(53,0.1). 10148p6_h_acceptor(53,0.1). 10149p6_size(53,0.1). 10150p6_pi_acceptor(53,0.1). 10151p6_branch(53,0.1). 10152p6_sigma(53,0.1). 10153p6_polarisable(53,0.1). 10154p6_flex(54,0.1). 10155p6_pi_doner(54,0.1). 10156p6_polar(54,0.3). 10157p6_h_doner(54,0.1). 10158p6_h_acceptor(54,0.1). 10159p6_size(54,0.1). 10160p6_pi_acceptor(54,0.1). 10161p6_branch(54,0.1). 10162p6_sigma(54,0.1). 10163p6_polarisable(54,0.1). 10164p6_flex(55,0.1). 10165p6_pi_doner(55,0.1). 10166p6_polar(55,0.9). 10167p6_h_doner(55,0.1). 10168p6_h_acceptor(55,0.1). 10169p6_size(55,0.5). 10170p6_pi_acceptor(55,0.9). 10171p6_branch(55,0.633). 10172p6_sigma(55,0.633). 10173p6_polarisable(55,0.9). 10174p6_flex(56,0.1). 10175p6_pi_doner(56,0.1). 10176p6_polar(56,0.3). 10177p6_h_doner(56,0.1). 10178p6_h_acceptor(56,0.1). 10179p6_size(56,0.1). 10180p6_pi_acceptor(56,0.1). 10181p6_branch(56,0.1). 10182p6_sigma(56,0.1). 10183p6_polarisable(56,0.1). 10184p6_flex(57,0.1). 10185p6_pi_doner(57,0.1). 10186p6_polar(57,0.9). 10187p6_h_doner(57,0.1). 10188p6_h_acceptor(57,0.1). 10189p6_size(57,0.5). 10190p6_pi_acceptor(57,0.9). 10191p6_branch(57,0.633). 10192p6_sigma(57,0.633). 10193p6_polarisable(57,0.9). 10194p6_flex(58,0.1). 10195p6_pi_doner(58,0.1). 10196p6_polar(58,0.9). 10197p6_h_doner(58,0.1). 10198p6_h_acceptor(58,0.1). 10199p6_size(58,0.5). 10200p6_pi_acceptor(58,0.9). 10201p6_branch(58,0.633). 10202p6_sigma(58,0.633). 10203p6_polarisable(58,0.9). 10204p6_flex(59,0.1). 10205p6_pi_doner(59,0.1). 10206p6_polar(59,0.9). 10207p6_h_doner(59,0.1). 10208p6_h_acceptor(59,0.1). 10209p6_size(59,0.5). 10210p6_pi_acceptor(59,0.9). 10211p6_branch(59,0.633). 10212p6_sigma(59,0.633). 10213p6_polarisable(59,0.9). 10214p6_flex(60,0.1). 10215p6_pi_doner(60,0.1). 10216p6_polar(60,0.9). 10217p6_h_doner(60,0.1). 10218p6_h_acceptor(60,0.1). 10219p6_size(60,0.5). 10220p6_pi_acceptor(60,0.9). 10221p6_branch(60,0.633). 10222p6_sigma(60,0.633). 10223p6_polarisable(60,0.9). 10224p6_flex(61,0.1). 10225p6_pi_doner(61,0.1). 10226p6_polar(61,0.9). 10227p6_h_doner(61,0.1). 10228p6_h_acceptor(61,0.1). 10229p6_size(61,0.5). 10230p6_pi_acceptor(61,0.9). 10231p6_branch(61,0.633). 10232p6_sigma(61,0.633). 10233p6_polarisable(61,0.9). 10234p6_flex(62,0.1). 10235p6_pi_doner(62,0.1). 10236p6_polar(62,0.3). 10237p6_h_doner(62,0.1). 10238p6_h_acceptor(62,0.1). 10239p6_size(62,0.1). 10240p6_pi_acceptor(62,0.1). 10241p6_branch(62,0.1). 10242p6_sigma(62,0.1). 10243p6_polarisable(62,0.1). 10244p6_flex(63,0.1). 10245p6_pi_doner(63,0.1). 10246p6_polar(63,0.3). 10247p6_h_doner(63,0.1). 10248p6_h_acceptor(63,0.1). 10249p6_size(63,0.1). 10250p6_pi_acceptor(63,0.1). 10251p6_branch(63,0.1). 10252p6_sigma(63,0.1). 10253p6_polarisable(63,0.1). 10254p6_flex(64,0.1). 10255p6_pi_doner(64,0.1). 10256p6_polar(64,0.3). 10257p6_h_doner(64,0.1). 10258p6_h_acceptor(64,0.1). 10259p6_size(64,0.1). 10260p6_pi_acceptor(64,0.1). 10261p6_branch(64,0.1). 10262p6_sigma(64,0.1). 10263p6_polarisable(64,0.1). 10264p6_flex(65,0.1). 10265p6_pi_doner(65,0.1). 10266p6_polar(65,0.9). 10267p6_h_doner(65,0.1). 10268p6_h_acceptor(65,0.1). 10269p6_size(65,0.5). 10270p6_pi_acceptor(65,0.9). 10271p6_branch(65,0.633). 10272p6_sigma(65,0.633). 10273p6_polarisable(65,0.9). 10274p6_flex(66,0.1). 10275p6_pi_doner(66,0.1). 10276p6_polar(66,0.9). 10277p6_h_doner(66,0.1). 10278p6_h_acceptor(66,0.1). 10279p6_size(66,0.5). 10280p6_pi_acceptor(66,0.9). 10281p6_branch(66,0.633). 10282p6_sigma(66,0.633). 10283p6_polarisable(66,0.9). 10284p6_flex(67,0.1). 10285p6_pi_doner(67,0.1). 10286p6_polar(67,0.9). 10287p6_h_doner(67,0.1). 10288p6_h_acceptor(67,0.1). 10289p6_size(67,0.5). 10290p6_pi_acceptor(67,0.9). 10291p6_branch(67,0.633). 10292p6_sigma(67,0.633). 10293p6_polarisable(67,0.9). 10294p6_flex(68,0.1). 10295p6_pi_doner(68,0.1). 10296p6_polar(68,0.9). 10297p6_h_doner(68,0.1). 10298p6_h_acceptor(68,0.1). 10299p6_size(68,0.5). 10300p6_pi_acceptor(68,0.9). 10301p6_branch(68,0.633). 10302p6_sigma(68,0.633). 10303p6_polarisable(68,0.9). 10304p6_flex(69,0.1). 10305p6_pi_doner(69,0.1). 10306p6_polar(69,0.9). 10307p6_h_doner(69,0.1). 10308p6_h_acceptor(69,0.1). 10309p6_size(69,0.5). 10310p6_pi_acceptor(69,0.9). 10311p6_branch(69,0.633). 10312p6_sigma(69,0.633). 10313p6_polarisable(69,0.9). 10314p6_flex(70,0.1). 10315p6_pi_doner(70,0.1). 10316p6_polar(70,0.9). 10317p6_h_doner(70,0.1). 10318p6_h_acceptor(70,0.1). 10319p6_size(70,0.5). 10320p6_pi_acceptor(70,0.9). 10321p6_branch(70,0.633). 10322p6_sigma(70,0.633). 10323p6_polarisable(70,0.9). 10324%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%