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6 6 3 4 5 6 2 7 7 3 4 5 6 2 7 2 1 1 3 4 4 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 8 8 5 6 6 6 3 4 5 6 2 7 7 3 4 5 6 2 7 2 1 1 2 1 1 3 4 4 3 4 5 6 2 7 2 7 2 1 1 1 9 10 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 2 7 7 2 7 9 10 2 1 1 2 7 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 2 7 7 2 7 9 10 2 1 1 2 7 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 2 7 7 2 7 9 10 2 1 1 2 7 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 2 7 7 2 7 9 10 2 1 1 2 7 3 4 5 6 2 7 7 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 7 7 1 2 1 1 3 4 5 6 2 7 7 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 7 7 5 6 3 5 6 6 5 6 6 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 6 2 7 2 1 1 2 1 1 3 4 5 6 6 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 6 2 7 2 1 1 2 1 1 2 7 7 5 6 3 5 6 6 5 6 6 3 4 5 6 2 7 7 3 4 5 6 2 7 2 1 1 3 4 4 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 8 8 5 6 6 6 3 4 5 6 2 7 7 3 4 5 6 2 7 2 1 1 2 1 1 3 4 4 3 4 5 6 2 7 2 7 2 1 1 1 9 10 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 2 7 7 2 7 9 10 2 1 1 2 7 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 2 7 7 2 7 9 10 2 1 1 2 7 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 2 7 7 2 7 9 10 2 1 1 2 7 3 4 5 6 2 7 7 3 4 5 2 7 7 2 1 1 2 1 1 2 7 3 4 5 2 7 7 2 7 9 10 2 1 1 2 7 3 4 5 6 2 7 7 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 7 7 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 6 7 4 3 7 3 7 4 7 4 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 5 4 3 2 1 1 6 7 4 3 7 3 7 4 7 4 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 5 4 3 2 1 1 6 7 4 3 7 3 7 4 7 4 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 10 3 14 12 6 5 9 6 5 1 7 4 3 6 3 7 3 7 4 7 4 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 5 4 3 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 2 3 5 8 12 17 23 30 38 47 4 5 6 9 13 18 24 31 39 48 7 8 9 10 14 19 25 32 40 49 11 12 13 14 15 20 26 33 41 50 16 17 18 19 20 21 27 34 42 51 22 23 24 25 26 27 28 35 43 52 29 30 31 32 33 34 35 36 44 53 37 38 39 40 41 42 43 44 45 54 46 47 48 49 50 51 52 53 54 55 %FLAG RESIDUE_LABEL %FORMAT(20a4) ACE GLY ALA ARG GLY PRO ALA GLY PRO GLN GLY PRO ARG GLY ASP LYS GLY GLU THR GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY VAL NME ACE GLY ALA ARG GLY PRO ALA GLY PRO GLN GLY PRO ARG GLY ASP LYS GLY GLU THR GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY VAL NME ACE GLY ALA ARG GLY PRO ALA GLY PRO GLN GLY PRO ARG GLY ASP LYS GLY GLU THR GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY VAL NME %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 7 14 24 48 55 69 79 86 100 117 124 138 162 169 181 203 210 225 239 246 260 275 282 296 311 318 332 347 354 368 383 390 406 412 418 425 435 459 466 480 490 497 511 528 535 549 573 580 592 614 621 636 650 657 671 686 693 707 722 729 743 758 765 779 794 801 817 823 829 836 846 870 877 891 901 908 922 939 946 960 984 991 1003 1025 1032 1047 1061 1068 1082 1097 1104 1118 1133 1140 1154 1169 1176 1190 1205 1212 1228 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 3.40000000E+02 3.17000000E+02 3.40000000E+02 4.34000000E+02 3.37000000E+02 3.10000000E+02 4.34000000E+02 4.81000000E+02 3.37000000E+02 6.56000000E+02 4.34000000E+02 3.40000000E+02 3.67000000E+02 5.53000000E+02 3.20000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.09000000E+00 1.52200000E+00 1.09000000E+00 1.01000000E+00 1.44900000E+00 1.52600000E+00 1.01000000E+00 1.34000000E+00 1.46300000E+00 1.25000000E+00 1.01000000E+00 1.09000000E+00 1.47100000E+00 9.60000000E-01 1.41000000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 3.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 3.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 3.50000000E+01 7.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 4.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 7.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.92160833E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.94080696E+00 1.91113635E+00 2.05948940E+00 2.09439600E+00 2.19911580E+00 2.04203610E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 2.00000000E-01 5.30000000E-01 1.50000000E-01 5.00000000E-01 7.50000000E-01 1.35000000E+00 4.00000000E-01 1.55555556E-01 7.00000000E-02 1.00000000E-01 2.40000000E+00 0.00000000E+00 1.66666667E-01 2.69000000E-01 1.56000000E-01 1.05000000E+01 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 3.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 7.51607703E+03 9.71708117E+04 1.04308023E+06 8.61541883E+04 9.24822270E+05 8.19971662E+05 5.44261042E+04 6.47841731E+05 5.74393458E+05 3.79876399E+05 8.96776989E+04 9.95480466E+05 8.82619071E+05 6.06829342E+05 9.44293233E+05 1.07193646E+02 2.56678134E+03 2.27577561E+03 1.02595236E+03 2.12601181E+03 1.39982777E-01 4.98586848E+03 6.78771368E+04 6.01816484E+04 3.69471530E+04 6.20665997E+04 5.94667300E+01 3.25969625E+03 1.41077189E+03 2.27401052E+04 2.01619733E+04 1.12780457E+04 2.01791425E+04 9.14716912E+00 8.79040886E+02 2.01823541E+02 6.82786631E+04 7.91544157E+05 7.01803794E+05 4.71003287E+05 7.44975864E+05 1.40467023E+03 4.66922514E+04 1.45985502E+04 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 2.17257828E+01 1.26919150E+02 6.75612247E+02 1.12529845E+02 5.99015525E+02 5.31102864E+02 1.11805549E+02 6.26720080E+02 5.55666448E+02 5.64885984E+02 1.36131731E+02 7.36907417E+02 6.53361429E+02 6.77220874E+02 8.01323529E+02 2.59456373E+00 2.06278363E+01 1.82891803E+01 1.53505284E+01 2.09604198E+01 9.37598976E-02 1.76949863E+01 1.06076943E+02 9.40505980E+01 9.21192136E+01 1.13252061E+02 1.93248820E+00 1.43076527E+01 9.41257003E+00 6.13981767E+01 5.44372326E+01 5.08951803E+01 6.45756063E+01 7.57919667E-01 7.42992380E+00 3.56012899E+00 1.25287818E+02 6.93079947E+02 6.14502845E+02 6.29300710E+02 7.50714425E+02 1.79702257E+01 1.03606917E+02 5.79323581E+01 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 3 6 3 3 9 3 0 3 3 24 27 5 24 30 5 18 21 6 51 54 3 51 57 3 51 60 3 45 48 5 39 42 6 126 129 9 126 132 9 117 120 9 117 123 9 108 111 9 99 102 5 99 105 5 90 93 3 90 96 3 81 84 3 81 87 3 75 78 5 69 72 6 147 150 5 147 153 5 141 144 6 192 195 5 183 186 3 183 189 3 174 177 3 174 180 3 165 168 5 165 171 5 216 219 3 216 222 3 216 225 3 210 213 5 204 207 6 240 243 5 240 246 5 234 237 6 285 288 5 276 279 3 276 282 3 267 270 3 267 273 3 258 261 5 258 264 5 333 336 6 333 339 6 318 321 3 318 324 3 309 312 3 309 315 3 303 306 5 297 300 6 354 357 5 354 360 5 348 351 6 399 402 5 390 393 3 390 396 3 381 384 3 381 387 3 372 375 5 372 378 5 468 471 9 468 474 9 459 462 9 459 465 9 450 453 9 441 444 5 441 447 5 432 435 3 432 438 3 423 426 3 423 429 3 417 420 5 411 414 6 489 492 5 489 495 5 483 486 6 516 519 3 516 522 3 510 513 5 504 507 6 588 591 13 588 594 13 588 597 13 579 582 14 579 585 14 570 573 3 570 576 3 561 564 3 561 567 3 552 555 3 552 558 3 546 549 5 540 543 6 612 615 5 612 618 5 606 609 6 648 651 3 648 654 3 639 642 3 639 645 3 633 636 5 627 630 6 702 705 16 690 693 3 690 696 3 690 699 3 684 687 5 678 681 5 672 675 6 720 723 5 720 726 5 714 717 6 765 768 5 756 759 3 756 762 3 747 750 3 747 753 3 738 741 5 738 744 5 810 813 5 801 804 3 801 807 3 795 798 16 789 792 5 780 783 5 780 786 5 828 831 5 828 834 5 822 825 6 873 876 5 864 867 3 864 870 3 855 858 3 855 861 3 846 849 5 846 852 5 918 921 5 909 912 3 909 915 3 903 906 16 897 900 5 888 891 5 888 894 5 936 939 5 936 942 5 930 933 6 981 984 5 972 975 3 972 978 3 963 966 3 963 969 3 954 957 5 954 960 5 1026 1029 5 1017 1020 3 1017 1023 3 1011 1014 16 1005 1008 5 996 999 5 996 1002 5 1044 1047 5 1044 1050 5 1038 1041 6 1089 1092 5 1080 1083 3 1080 1086 3 1071 1074 3 1071 1077 3 1062 1065 5 1062 1068 5 1134 1137 5 1125 1128 3 1125 1131 3 1119 1122 16 1113 1116 5 1104 1107 5 1104 1110 5 1152 1155 5 1152 1158 5 1146 1149 6 1197 1200 3 1197 1203 3 1197 1206 3 1185 1188 3 1185 1191 3 1185 1194 3 1179 1182 3 1173 1176 5 1167 1170 6 1221 1224 5 1221 1227 5 1221 1230 5 1215 1218 6 1236 1239 3 1236 1242 3 1233 1236 3 1257 1260 5 1257 1263 5 1251 1254 6 1284 1287 3 1284 1290 3 1284 1293 3 1278 1281 5 1272 1275 6 1359 1362 9 1359 1365 9 1350 1353 9 1350 1356 9 1341 1344 9 1332 1335 5 1332 1338 5 1323 1326 3 1323 1329 3 1314 1317 3 1314 1320 3 1308 1311 5 1302 1305 6 1380 1383 5 1380 1386 5 1374 1377 6 1425 1428 5 1416 1419 3 1416 1422 3 1407 1410 3 1407 1413 3 1398 1401 5 1398 1404 5 1449 1452 3 1449 1455 3 1449 1458 3 1443 1446 5 1437 1440 6 1473 1476 5 1473 1479 5 1467 1470 6 1518 1521 5 1509 1512 3 1509 1515 3 1500 1503 3 1500 1506 3 1491 1494 5 1491 1497 5 1566 1569 6 1566 1572 6 1551 1554 3 1551 1557 3 1542 1545 3 1542 1548 3 1536 1539 5 1530 1533 6 1587 1590 5 1587 1593 5 1581 1584 6 1632 1635 5 1623 1626 3 1623 1629 3 1614 1617 3 1614 1620 3 1605 1608 5 1605 1611 5 1701 1704 9 1701 1707 9 1692 1695 9 1692 1698 9 1683 1686 9 1674 1677 5 1674 1680 5 1665 1668 3 1665 1671 3 1656 1659 3 1656 1662 3 1650 1653 5 1644 1647 6 1722 1725 5 1722 1728 5 1716 1719 6 1749 1752 3 1749 1755 3 1743 1746 5 1737 1740 6 1821 1824 13 1821 1827 13 1821 1830 13 1812 1815 14 1812 1818 14 1803 1806 3 1803 1809 3 1794 1797 3 1794 1800 3 1785 1788 3 1785 1791 3 1779 1782 5 1773 1776 6 1845 1848 5 1845 1851 5 1839 1842 6 1881 1884 3 1881 1887 3 1872 1875 3 1872 1878 3 1866 1869 5 1860 1863 6 1935 1938 16 1923 1926 3 1923 1929 3 1923 1932 3 1917 1920 5 1911 1914 5 1905 1908 6 1953 1956 5 1953 1959 5 1947 1950 6 1998 2001 5 1989 1992 3 1989 1995 3 1980 1983 3 1980 1986 3 1971 1974 5 1971 1977 5 2043 2046 5 2034 2037 3 2034 2040 3 2028 2031 16 2022 2025 5 2013 2016 5 2013 2019 5 2061 2064 5 2061 2067 5 2055 2058 6 2106 2109 5 2097 2100 3 2097 2103 3 2088 2091 3 2088 2094 3 2079 2082 5 2079 2085 5 2151 2154 5 2142 2145 3 2142 2148 3 2136 2139 16 2130 2133 5 2121 2124 5 2121 2127 5 2169 2172 5 2169 2175 5 2163 2166 6 2214 2217 5 2205 2208 3 2205 2211 3 2196 2199 3 2196 2202 3 2187 2190 5 2187 2193 5 2259 2262 5 2250 2253 3 2250 2256 3 2244 2247 16 2238 2241 5 2229 2232 5 2229 2235 5 2277 2280 5 2277 2283 5 2271 2274 6 2322 2325 5 2313 2316 3 2313 2319 3 2304 2307 3 2304 2310 3 2295 2298 5 2295 2301 5 2367 2370 5 2358 2361 3 2358 2364 3 2352 2355 16 2346 2349 5 2337 2340 5 2337 2343 5 2385 2388 5 2385 2391 5 2379 2382 6 2430 2433 3 2430 2436 3 2430 2439 3 2418 2421 3 2418 2424 3 2418 2427 3 2412 2415 3 2406 2409 5 2400 2403 6 2454 2457 5 2454 2460 5 2454 2463 5 2448 2451 6 2469 2472 3 2469 2475 3 2466 2469 3 2490 2493 5 2490 2496 5 2484 2487 6 2517 2520 3 2517 2523 3 2517 2526 3 2511 2514 5 2505 2508 6 2592 2595 9 2592 2598 9 2583 2586 9 2583 2589 9 2574 2577 9 2565 2568 5 2565 2571 5 2556 2559 3 2556 2562 3 2547 2550 3 2547 2553 3 2541 2544 5 2535 2538 6 2613 2616 5 2613 2619 5 2607 2610 6 2658 2661 5 2649 2652 3 2649 2655 3 2640 2643 3 2640 2646 3 2631 2634 5 2631 2637 5 2682 2685 3 2682 2688 3 2682 2691 3 2676 2679 5 2670 2673 6 2706 2709 5 2706 2712 5 2700 2703 6 2751 2754 5 2742 2745 3 2742 2748 3 2733 2736 3 2733 2739 3 2724 2727 5 2724 2730 5 2799 2802 6 2799 2805 6 2784 2787 3 2784 2790 3 2775 2778 3 2775 2781 3 2769 2772 5 2763 2766 6 2820 2823 5 2820 2826 5 2814 2817 6 2865 2868 5 2856 2859 3 2856 2862 3 2847 2850 3 2847 2853 3 2838 2841 5 2838 2844 5 2934 2937 9 2934 2940 9 2925 2928 9 2925 2931 9 2916 2919 9 2907 2910 5 2907 2913 5 2898 2901 3 2898 2904 3 2889 2892 3 2889 2895 3 2883 2886 5 2877 2880 6 2955 2958 5 2955 2961 5 2949 2952 6 2982 2985 3 2982 2988 3 2976 2979 5 2970 2973 6 3054 3057 13 3054 3060 13 3054 3063 13 3045 3048 14 3045 3051 14 3036 3039 3 3036 3042 3 3027 3030 3 3027 3033 3 3018 3021 3 3018 3024 3 3012 3015 5 3006 3009 6 3078 3081 5 3078 3084 5 3072 3075 6 3114 3117 3 3114 3120 3 3105 3108 3 3105 3111 3 3099 3102 5 3093 3096 6 3168 3171 16 3156 3159 3 3156 3162 3 3156 3165 3 3150 3153 5 3144 3147 5 3138 3141 6 3186 3189 5 3186 3192 5 3180 3183 6 3231 3234 5 3222 3225 3 3222 3228 3 3213 3216 3 3213 3219 3 3204 3207 5 3204 3210 5 3276 3279 5 3267 3270 3 3267 3273 3 3261 3264 16 3255 3258 5 3246 3249 5 3246 3252 5 3294 3297 5 3294 3300 5 3288 3291 6 3339 3342 5 3330 3333 3 3330 3336 3 3321 3324 3 3321 3327 3 3312 3315 5 3312 3318 5 3384 3387 5 3375 3378 3 3375 3381 3 3369 3372 16 3363 3366 5 3354 3357 5 3354 3360 5 3402 3405 5 3402 3408 5 3396 3399 6 3447 3450 5 3438 3441 3 3438 3444 3 3429 3432 3 3429 3435 3 3420 3423 5 3420 3426 5 3492 3495 5 3483 3486 3 3483 3489 3 3477 3480 16 3471 3474 5 3462 3465 5 3462 3468 5 3510 3513 5 3510 3516 5 3504 3507 6 3555 3558 5 3546 3549 3 3546 3552 3 3537 3540 3 3537 3543 3 3528 3531 5 3528 3534 5 3600 3603 5 3591 3594 3 3591 3597 3 3585 3588 16 3579 3582 5 3570 3573 5 3570 3576 5 3618 3621 5 3618 3624 5 3612 3615 6 3663 3666 3 3663 3669 3 3663 3672 3 3651 3654 3 3651 3657 3 3651 3660 3 3645 3648 3 3639 3642 5 3633 3636 6 3687 3690 5 3687 3693 5 3687 3696 5 3681 3684 6 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 12 15 1 12 18 2 3 12 4 33 36 1 33 39 2 24 33 4 18 24 7 63 66 1 63 69 2 45 51 8 45 63 4 39 45 7 135 138 1 135 141 2 114 117 10 114 126 10 108 114 10 99 108 11 90 99 8 81 90 8 75 81 8 75 135 4 69 75 7 156 159 1 156 162 2 147 156 4 141 147 7 198 201 1 198 204 2 192 198 4 183 192 8 174 183 8 165 174 8 162 165 7 162 192 7 228 231 1 228 234 2 210 216 8 210 228 4 204 210 7 249 252 1 249 255 2 240 249 4 234 240 7 291 294 1 291 297 2 285 291 4 276 285 8 267 276 8 258 267 8 255 258 7 255 285 7 342 345 1 342 348 2 327 330 1 327 333 2 318 327 4 309 318 8 303 309 8 303 342 4 297 303 7 363 366 1 363 369 2 354 363 4 348 354 7 405 408 1 405 411 2 399 405 4 390 399 8 381 390 8 372 381 8 369 372 7 369 399 7 477 480 1 477 483 2 456 459 10 456 468 10 450 456 10 441 450 11 432 441 8 423 432 8 417 423 8 417 477 4 411 417 7 498 501 1 498 504 2 489 498 4 483 489 7 534 537 1 534 540 2 525 528 12 525 531 12 516 525 4 510 516 8 510 534 4 504 510 7 600 603 1 600 606 2 579 588 15 570 579 8 561 570 8 552 561 8 546 552 8 546 600 4 540 546 7 621 624 1 621 627 2 612 621 4 606 612 7 666 669 1 666 672 2 657 660 12 657 663 12 648 657 4 639 648 8 633 639 8 633 666 4 627 633 7 708 711 1 708 714 2 684 690 8 684 702 17 678 684 8 678 708 4 672 678 7 729 732 1 729 735 2 720 729 4 714 720 7 771 774 1 771 777 2 765 771 4 756 765 8 747 756 8 738 747 8 735 738 7 735 765 7 816 819 1 816 822 2 810 816 4 801 810 8 789 795 17 789 801 8 780 789 8 777 780 7 777 810 7 837 840 1 837 843 2 828 837 4 822 828 7 879 882 1 879 885 2 873 879 4 864 873 8 855 864 8 846 855 8 843 846 7 843 873 7 924 927 1 924 930 2 918 924 4 909 918 8 897 903 17 897 909 8 888 897 8 885 888 7 885 918 7 945 948 1 945 951 2 936 945 4 930 936 7 987 990 1 987 993 2 981 987 4 972 981 8 963 972 8 954 963 8 951 954 7 951 981 7 1032 1035 1 1032 1038 2 1026 1032 4 1017 1026 8 1005 1011 17 1005 1017 8 996 1005 8 993 996 7 993 1026 7 1053 1056 1 1053 1059 2 1044 1053 4 1038 1044 7 1095 1098 1 1095 1101 2 1089 1095 4 1080 1089 8 1071 1080 8 1062 1071 8 1059 1062 7 1059 1089 7 1140 1143 1 1140 1146 2 1134 1140 4 1125 1134 8 1113 1119 17 1113 1125 8 1104 1113 8 1101 1104 7 1101 1134 7 1161 1164 1 1161 1167 2 1152 1161 4 1146 1152 7 1209 1212 1 1209 1215 2 1179 1185 8 1179 1197 8 1173 1179 8 1173 1209 4 1167 1173 7 1215 1221 7 1245 1248 1 1245 1251 2 1236 1245 4 1266 1269 1 1266 1272 2 1257 1266 4 1251 1257 7 1296 1299 1 1296 1302 2 1278 1284 8 1278 1296 4 1272 1278 7 1368 1371 1 1368 1374 2 1347 1350 10 1347 1359 10 1341 1347 10 1332 1341 11 1323 1332 8 1314 1323 8 1308 1314 8 1308 1368 4 1302 1308 7 1389 1392 1 1389 1395 2 1380 1389 4 1374 1380 7 1431 1434 1 1431 1437 2 1425 1431 4 1416 1425 8 1407 1416 8 1398 1407 8 1395 1398 7 1395 1425 7 1461 1464 1 1461 1467 2 1443 1449 8 1443 1461 4 1437 1443 7 1482 1485 1 1482 1488 2 1473 1482 4 1467 1473 7 1524 1527 1 1524 1530 2 1518 1524 4 1509 1518 8 1500 1509 8 1491 1500 8 1488 1491 7 1488 1518 7 1575 1578 1 1575 1581 2 1560 1563 1 1560 1566 2 1551 1560 4 1542 1551 8 1536 1542 8 1536 1575 4 1530 1536 7 1596 1599 1 1596 1602 2 1587 1596 4 1581 1587 7 1638 1641 1 1638 1644 2 1632 1638 4 1623 1632 8 1614 1623 8 1605 1614 8 1602 1605 7 1602 1632 7 1710 1713 1 1710 1716 2 1689 1692 10 1689 1701 10 1683 1689 10 1674 1683 11 1665 1674 8 1656 1665 8 1650 1656 8 1650 1710 4 1644 1650 7 1731 1734 1 1731 1737 2 1722 1731 4 1716 1722 7 1767 1770 1 1767 1773 2 1758 1761 12 1758 1764 12 1749 1758 4 1743 1749 8 1743 1767 4 1737 1743 7 1833 1836 1 1833 1839 2 1812 1821 15 1803 1812 8 1794 1803 8 1785 1794 8 1779 1785 8 1779 1833 4 1773 1779 7 1854 1857 1 1854 1860 2 1845 1854 4 1839 1845 7 1899 1902 1 1899 1905 2 1890 1893 12 1890 1896 12 1881 1890 4 1872 1881 8 1866 1872 8 1866 1899 4 1860 1866 7 1941 1944 1 1941 1947 2 1917 1923 8 1917 1935 17 1911 1917 8 1911 1941 4 1905 1911 7 1962 1965 1 1962 1968 2 1953 1962 4 1947 1953 7 2004 2007 1 2004 2010 2 1998 2004 4 1989 1998 8 1980 1989 8 1971 1980 8 1968 1971 7 1968 1998 7 2049 2052 1 2049 2055 2 2043 2049 4 2034 2043 8 2022 2028 17 2022 2034 8 2013 2022 8 2010 2013 7 2010 2043 7 2070 2073 1 2070 2076 2 2061 2070 4 2055 2061 7 2112 2115 1 2112 2118 2 2106 2112 4 2097 2106 8 2088 2097 8 2079 2088 8 2076 2079 7 2076 2106 7 2157 2160 1 2157 2163 2 2151 2157 4 2142 2151 8 2130 2136 17 2130 2142 8 2121 2130 8 2118 2121 7 2118 2151 7 2178 2181 1 2178 2184 2 2169 2178 4 2163 2169 7 2220 2223 1 2220 2226 2 2214 2220 4 2205 2214 8 2196 2205 8 2187 2196 8 2184 2187 7 2184 2214 7 2265 2268 1 2265 2271 2 2259 2265 4 2250 2259 8 2238 2244 17 2238 2250 8 2229 2238 8 2226 2229 7 2226 2259 7 2286 2289 1 2286 2292 2 2277 2286 4 2271 2277 7 2328 2331 1 2328 2334 2 2322 2328 4 2313 2322 8 2304 2313 8 2295 2304 8 2292 2295 7 2292 2322 7 2373 2376 1 2373 2379 2 2367 2373 4 2358 2367 8 2346 2352 17 2346 2358 8 2337 2346 8 2334 2337 7 2334 2367 7 2394 2397 1 2394 2400 2 2385 2394 4 2379 2385 7 2442 2445 1 2442 2448 2 2412 2418 8 2412 2430 8 2406 2412 8 2406 2442 4 2400 2406 7 2448 2454 7 2478 2481 1 2478 2484 2 2469 2478 4 2499 2502 1 2499 2505 2 2490 2499 4 2484 2490 7 2529 2532 1 2529 2535 2 2511 2517 8 2511 2529 4 2505 2511 7 2601 2604 1 2601 2607 2 2580 2583 10 2580 2592 10 2574 2580 10 2565 2574 11 2556 2565 8 2547 2556 8 2541 2547 8 2541 2601 4 2535 2541 7 2622 2625 1 2622 2628 2 2613 2622 4 2607 2613 7 2664 2667 1 2664 2670 2 2658 2664 4 2649 2658 8 2640 2649 8 2631 2640 8 2628 2631 7 2628 2658 7 2694 2697 1 2694 2700 2 2676 2682 8 2676 2694 4 2670 2676 7 2715 2718 1 2715 2721 2 2706 2715 4 2700 2706 7 2757 2760 1 2757 2763 2 2751 2757 4 2742 2751 8 2733 2742 8 2724 2733 8 2721 2724 7 2721 2751 7 2808 2811 1 2808 2814 2 2793 2796 1 2793 2799 2 2784 2793 4 2775 2784 8 2769 2775 8 2769 2808 4 2763 2769 7 2829 2832 1 2829 2835 2 2820 2829 4 2814 2820 7 2871 2874 1 2871 2877 2 2865 2871 4 2856 2865 8 2847 2856 8 2838 2847 8 2835 2838 7 2835 2865 7 2943 2946 1 2943 2949 2 2922 2925 10 2922 2934 10 2916 2922 10 2907 2916 11 2898 2907 8 2889 2898 8 2883 2889 8 2883 2943 4 2877 2883 7 2964 2967 1 2964 2970 2 2955 2964 4 2949 2955 7 3000 3003 1 3000 3006 2 2991 2994 12 2991 2997 12 2982 2991 4 2976 2982 8 2976 3000 4 2970 2976 7 3066 3069 1 3066 3072 2 3045 3054 15 3036 3045 8 3027 3036 8 3018 3027 8 3012 3018 8 3012 3066 4 3006 3012 7 3087 3090 1 3087 3093 2 3078 3087 4 3072 3078 7 3132 3135 1 3132 3138 2 3123 3126 12 3123 3129 12 3114 3123 4 3105 3114 8 3099 3105 8 3099 3132 4 3093 3099 7 3174 3177 1 3174 3180 2 3150 3156 8 3150 3168 17 3144 3150 8 3144 3174 4 3138 3144 7 3195 3198 1 3195 3201 2 3186 3195 4 3180 3186 7 3237 3240 1 3237 3243 2 3231 3237 4 3222 3231 8 3213 3222 8 3204 3213 8 3201 3204 7 3201 3231 7 3282 3285 1 3282 3288 2 3276 3282 4 3267 3276 8 3255 3261 17 3255 3267 8 3246 3255 8 3243 3246 7 3243 3276 7 3303 3306 1 3303 3309 2 3294 3303 4 3288 3294 7 3345 3348 1 3345 3351 2 3339 3345 4 3330 3339 8 3321 3330 8 3312 3321 8 3309 3312 7 3309 3339 7 3390 3393 1 3390 3396 2 3384 3390 4 3375 3384 8 3363 3369 17 3363 3375 8 3354 3363 8 3351 3354 7 3351 3384 7 3411 3414 1 3411 3417 2 3402 3411 4 3396 3402 7 3453 3456 1 3453 3459 2 3447 3453 4 3438 3447 8 3429 3438 8 3420 3429 8 3417 3420 7 3417 3447 7 3498 3501 1 3498 3504 2 3492 3498 4 3483 3492 8 3471 3477 17 3471 3483 8 3462 3471 8 3459 3462 7 3459 3492 7 3519 3522 1 3519 3525 2 3510 3519 4 3504 3510 7 3561 3564 1 3561 3567 2 3555 3561 4 3546 3555 8 3537 3546 8 3528 3537 8 3525 3528 7 3525 3555 7 3606 3609 1 3606 3612 2 3600 3606 4 3591 3600 8 3579 3585 17 3579 3591 8 3570 3579 8 3567 3570 7 3567 3600 7 3627 3630 1 3627 3633 2 3618 3627 4 3612 3618 7 3675 3678 1 3675 3681 2 3645 3651 8 3645 3663 8 3639 3645 8 3639 3675 4 3633 3639 7 3681 3687 7 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 12 18 21 2 9 3 12 4 6 3 9 5 6 3 12 4 0 3 6 5 0 3 9 5 0 3 12 4 33 39 42 2 30 24 33 8 27 24 30 9 27 24 33 8 21 18 24 10 18 24 27 11 18 24 30 11 63 69 72 2 57 51 60 5 54 51 57 5 54 51 60 5 48 45 51 14 48 45 63 8 45 51 54 15 45 51 57 15 45 51 60 15 42 39 45 10 39 45 48 11 135 141 144 2 129 126 132 17 120 117 123 17 114 117 120 19 114 117 123 19 114 126 129 19 114 126 132 19 111 108 114 19 105 99 108 20 102 99 105 9 102 99 108 20 99 108 111 21 96 90 99 15 93 90 96 5 93 90 99 15 90 99 102 14 90 99 105 14 87 81 90 15 84 81 87 5 84 81 90 15 81 90 93 15 81 90 96 15 78 75 81 14 78 75 135 8 75 81 84 15 75 81 87 15 72 69 75 10 69 75 78 11 153 147 156 8 150 147 153 9 150 147 156 8 144 141 147 10 141 147 150 11 141 147 153 11 198 204 207 2 195 192 198 8 189 183 192 15 186 183 189 5 186 183 192 15 183 192 195 14 180 174 183 15 177 174 180 5 177 174 183 15 174 183 186 15 174 183 189 15 171 165 174 14 168 165 171 9 168 165 174 14 165 174 177 15 165 174 180 15 162 165 168 11 162 165 171 11 162 192 195 11 228 234 237 2 222 216 225 5 219 216 222 5 219 216 225 5 213 210 216 14 213 210 228 8 210 216 219 15 210 216 222 15 210 216 225 15 207 204 210 10 204 210 213 11 246 240 249 8 243 240 246 9 243 240 249 8 237 234 240 10 234 240 243 11 234 240 246 11 291 297 300 2 288 285 291 8 282 276 285 15 279 276 282 5 279 276 285 15 276 285 288 14 273 267 276 15 270 267 273 5 270 267 276 15 267 276 279 15 267 276 282 15 264 258 267 14 261 258 264 9 261 258 267 14 258 267 270 15 258 267 273 15 255 258 261 11 255 258 264 11 255 285 288 11 342 348 351 2 336 333 339 26 327 333 336 2 327 333 339 2 324 318 327 4 321 318 324 5 321 318 327 4 315 309 318 15 312 309 315 5 312 309 318 15 309 318 321 15 309 318 324 15 306 303 309 14 306 303 342 8 303 309 312 15 303 309 315 15 300 297 303 10 297 303 306 11 360 354 363 8 357 354 360 9 357 354 363 8 351 348 354 10 348 354 357 11 348 354 360 11 405 411 414 2 402 399 405 8 396 390 399 15 393 390 396 5 393 390 399 15 390 399 402 14 387 381 390 15 384 381 387 5 384 381 390 15 381 390 393 15 381 390 396 15 378 372 381 14 375 372 378 9 375 372 381 14 372 381 384 15 372 381 387 15 369 372 375 11 369 372 378 11 369 399 402 11 477 483 486 2 471 468 474 17 462 459 465 17 456 459 462 19 456 459 465 19 456 468 471 19 456 468 474 19 453 450 456 19 447 441 450 20 444 441 447 9 444 441 450 20 441 450 453 21 438 432 441 15 435 432 438 5 435 432 441 15 432 441 444 14 432 441 447 14 429 423 432 15 426 423 429 5 426 423 432 15 423 432 435 15 423 432 438 15 420 417 423 14 420 417 477 8 417 423 426 15 417 423 429 15 414 411 417 10 411 417 420 11 498 504 507 2 495 489 498 8 492 489 495 9 492 489 498 8 486 483 489 10 483 489 492 11 483 489 495 11 534 540 543 2 522 516 525 4 519 516 522 5 519 516 525 4 513 510 516 14 513 510 534 8 510 516 519 15 510 516 522 15 507 504 510 10 504 510 513 11 600 606 609 2 594 588 597 29 591 588 594 29 591 588 597 29 585 579 588 30 582 579 585 31 582 579 588 30 579 588 591 32 579 588 594 32 579 588 597 32 576 570 579 15 573 570 576 5 573 570 579 15 570 579 582 33 570 579 585 33 567 561 570 15 564 561 567 5 564 561 570 15 561 570 573 15 561 570 576 15 558 552 561 15 555 552 558 5 555 552 561 15 552 561 564 15 552 561 567 15 549 546 552 14 549 546 600 8 546 552 555 15 546 552 558 15 543 540 546 10 540 546 549 11 621 627 630 2 618 612 621 8 615 612 618 9 615 612 621 8 609 606 612 10 606 612 615 11 606 612 618 11 666 672 675 2 654 648 657 4 651 648 654 5 651 648 657 4 645 639 648 15 642 639 645 5 642 639 648 15 639 648 651 15 639 648 654 15 636 633 639 14 636 633 666 8 633 639 642 15 633 639 645 15 630 627 633 10 627 633 636 11 708 714 717 2 696 690 699 5 693 690 696 5 693 690 699 5 687 684 690 14 687 684 702 36 684 690 693 15 684 690 696 15 684 690 699 15 684 702 705 37 681 678 684 14 681 678 708 8 678 684 687 14 675 672 678 10 672 678 681 11 726 720 729 8 723 720 726 9 723 720 729 8 717 714 720 10 714 720 723 11 714 720 726 11 768 765 771 8 762 756 765 15 759 756 762 5 759 756 765 15 756 765 768 14 753 747 756 15 750 747 753 5 750 747 756 15 747 756 759 15 747 756 762 15 744 738 747 14 741 738 744 9 741 738 747 14 738 747 750 15 738 747 753 15 735 738 741 11 735 738 744 11 735 765 768 11 816 822 825 2 813 810 816 8 807 801 810 15 804 801 807 5 804 801 810 15 801 810 813 14 792 789 795 36 792 789 801 14 789 795 798 37 789 801 804 15 789 801 807 15 786 780 789 14 783 780 786 9 783 780 789 14 780 789 792 14 777 780 783 11 777 780 786 11 777 810 813 11 834 828 837 8 831 828 834 9 831 828 837 8 825 822 828 10 822 828 831 11 822 828 834 11 876 873 879 8 870 864 873 15 867 864 870 5 867 864 873 15 864 873 876 14 861 855 864 15 858 855 861 5 858 855 864 15 855 864 867 15 855 864 870 15 852 846 855 14 849 846 852 9 849 846 855 14 846 855 858 15 846 855 861 15 843 846 849 11 843 846 852 11 843 873 876 11 924 930 933 2 921 918 924 8 915 909 918 15 912 909 915 5 912 909 918 15 909 918 921 14 900 897 903 36 900 897 909 14 897 903 906 37 897 909 912 15 897 909 915 15 894 888 897 14 891 888 894 9 891 888 897 14 888 897 900 14 885 888 891 11 885 888 894 11 885 918 921 11 942 936 945 8 939 936 942 9 939 936 945 8 933 930 936 10 930 936 939 11 930 936 942 11 984 981 987 8 978 972 981 15 975 972 978 5 975 972 981 15 972 981 984 14 969 963 972 15 966 963 969 5 966 963 972 15 963 972 975 15 963 972 978 15 960 954 963 14 957 954 960 9 957 954 963 14 954 963 966 15 954 963 969 15 951 954 957 11 951 954 960 11 951 981 984 11 1032 1038 1041 2 1029 1026 1032 8 1023 1017 1026 15 1020 1017 1023 5 1020 1017 1026 15 1017 1026 1029 14 1008 1005 1011 36 1008 1005 1017 14 1005 1011 1014 37 1005 1017 1020 15 1005 1017 1023 15 1002 996 1005 14 999 996 1002 9 999 996 1005 14 996 1005 1008 14 993 996 999 11 993 996 1002 11 993 1026 1029 11 1050 1044 1053 8 1047 1044 1050 9 1047 1044 1053 8 1041 1038 1044 10 1038 1044 1047 11 1038 1044 1050 11 1092 1089 1095 8 1086 1080 1089 15 1083 1080 1086 5 1083 1080 1089 15 1080 1089 1092 14 1077 1071 1080 15 1074 1071 1077 5 1074 1071 1080 15 1071 1080 1083 15 1071 1080 1086 15 1068 1062 1071 14 1065 1062 1068 9 1065 1062 1071 14 1062 1071 1074 15 1062 1071 1077 15 1059 1062 1065 11 1059 1062 1068 11 1059 1089 1092 11 1140 1146 1149 2 1137 1134 1140 8 1131 1125 1134 15 1128 1125 1131 5 1128 1125 1134 15 1125 1134 1137 14 1116 1113 1119 36 1116 1113 1125 14 1113 1119 1122 37 1113 1125 1128 15 1113 1125 1131 15 1110 1104 1113 14 1107 1104 1110 9 1107 1104 1113 14 1104 1113 1116 14 1101 1104 1107 11 1101 1104 1110 11 1101 1134 1137 11 1161 1167 1170 2 1158 1152 1161 8 1155 1152 1158 9 1155 1152 1161 8 1149 1146 1152 10 1146 1152 1155 11 1146 1152 1158 11 1209 1215 1218 2 1203 1197 1206 5 1200 1197 1203 5 1200 1197 1206 5 1191 1185 1194 5 1188 1185 1191 5 1188 1185 1194 5 1182 1179 1185 15 1182 1179 1197 15 1179 1185 1188 15 1179 1185 1191 15 1179 1185 1194 15 1179 1197 1200 15 1179 1197 1203 15 1179 1197 1206 15 1176 1173 1179 14 1176 1173 1209 8 1173 1179 1182 15 1170 1167 1173 10 1167 1173 1176 11 1227 1221 1230 9 1224 1221 1227 9 1224 1221 1230 9 1218 1215 1221 10 1215 1221 1224 11 1215 1221 1227 11 1215 1221 1230 11 1245 1251 1254 2 1242 1236 1245 4 1239 1236 1242 5 1239 1236 1245 4 1233 1236 1239 5 1233 1236 1242 5 1233 1236 1245 4 1266 1272 1275 2 1263 1257 1266 8 1260 1257 1263 9 1260 1257 1266 8 1254 1251 1257 10 1251 1257 1260 11 1251 1257 1263 11 1296 1302 1305 2 1290 1284 1293 5 1287 1284 1290 5 1287 1284 1293 5 1281 1278 1284 14 1281 1278 1296 8 1278 1284 1287 15 1278 1284 1290 15 1278 1284 1293 15 1275 1272 1278 10 1272 1278 1281 11 1368 1374 1377 2 1362 1359 1365 17 1353 1350 1356 17 1347 1350 1353 19 1347 1350 1356 19 1347 1359 1362 19 1347 1359 1365 19 1344 1341 1347 19 1338 1332 1341 20 1335 1332 1338 9 1335 1332 1341 20 1332 1341 1344 21 1329 1323 1332 15 1326 1323 1329 5 1326 1323 1332 15 1323 1332 1335 14 1323 1332 1338 14 1320 1314 1323 15 1317 1314 1320 5 1317 1314 1323 15 1314 1323 1326 15 1314 1323 1329 15 1311 1308 1314 14 1311 1308 1368 8 1308 1314 1317 15 1308 1314 1320 15 1305 1302 1308 10 1302 1308 1311 11 1386 1380 1389 8 1383 1380 1386 9 1383 1380 1389 8 1377 1374 1380 10 1374 1380 1383 11 1374 1380 1386 11 1431 1437 1440 2 1428 1425 1431 8 1422 1416 1425 15 1419 1416 1422 5 1419 1416 1425 15 1416 1425 1428 14 1413 1407 1416 15 1410 1407 1413 5 1410 1407 1416 15 1407 1416 1419 15 1407 1416 1422 15 1404 1398 1407 14 1401 1398 1404 9 1401 1398 1407 14 1398 1407 1410 15 1398 1407 1413 15 1395 1398 1401 11 1395 1398 1404 11 1395 1425 1428 11 1461 1467 1470 2 1455 1449 1458 5 1452 1449 1455 5 1452 1449 1458 5 1446 1443 1449 14 1446 1443 1461 8 1443 1449 1452 15 1443 1449 1455 15 1443 1449 1458 15 1440 1437 1443 10 1437 1443 1446 11 1479 1473 1482 8 1476 1473 1479 9 1476 1473 1482 8 1470 1467 1473 10 1467 1473 1476 11 1467 1473 1479 11 1524 1530 1533 2 1521 1518 1524 8 1515 1509 1518 15 1512 1509 1515 5 1512 1509 1518 15 1509 1518 1521 14 1506 1500 1509 15 1503 1500 1506 5 1503 1500 1509 15 1500 1509 1512 15 1500 1509 1515 15 1497 1491 1500 14 1494 1491 1497 9 1494 1491 1500 14 1491 1500 1503 15 1491 1500 1506 15 1488 1491 1494 11 1488 1491 1497 11 1488 1518 1521 11 1575 1581 1584 2 1569 1566 1572 26 1560 1566 1569 2 1560 1566 1572 2 1557 1551 1560 4 1554 1551 1557 5 1554 1551 1560 4 1548 1542 1551 15 1545 1542 1548 5 1545 1542 1551 15 1542 1551 1554 15 1542 1551 1557 15 1539 1536 1542 14 1539 1536 1575 8 1536 1542 1545 15 1536 1542 1548 15 1533 1530 1536 10 1530 1536 1539 11 1593 1587 1596 8 1590 1587 1593 9 1590 1587 1596 8 1584 1581 1587 10 1581 1587 1590 11 1581 1587 1593 11 1638 1644 1647 2 1635 1632 1638 8 1629 1623 1632 15 1626 1623 1629 5 1626 1623 1632 15 1623 1632 1635 14 1620 1614 1623 15 1617 1614 1620 5 1617 1614 1623 15 1614 1623 1626 15 1614 1623 1629 15 1611 1605 1614 14 1608 1605 1611 9 1608 1605 1614 14 1605 1614 1617 15 1605 1614 1620 15 1602 1605 1608 11 1602 1605 1611 11 1602 1632 1635 11 1710 1716 1719 2 1704 1701 1707 17 1695 1692 1698 17 1689 1692 1695 19 1689 1692 1698 19 1689 1701 1704 19 1689 1701 1707 19 1686 1683 1689 19 1680 1674 1683 20 1677 1674 1680 9 1677 1674 1683 20 1674 1683 1686 21 1671 1665 1674 15 1668 1665 1671 5 1668 1665 1674 15 1665 1674 1677 14 1665 1674 1680 14 1662 1656 1665 15 1659 1656 1662 5 1659 1656 1665 15 1656 1665 1668 15 1656 1665 1671 15 1653 1650 1656 14 1653 1650 1710 8 1650 1656 1659 15 1650 1656 1662 15 1647 1644 1650 10 1644 1650 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19 2913 2907 2916 20 2910 2907 2913 9 2910 2907 2916 20 2907 2916 2919 21 2904 2898 2907 15 2901 2898 2904 5 2901 2898 2907 15 2898 2907 2910 14 2898 2907 2913 14 2895 2889 2898 15 2892 2889 2895 5 2892 2889 2898 15 2889 2898 2901 15 2889 2898 2904 15 2886 2883 2889 14 2886 2883 2943 8 2883 2889 2892 15 2883 2889 2895 15 2880 2877 2883 10 2877 2883 2886 11 2964 2970 2973 2 2961 2955 2964 8 2958 2955 2961 9 2958 2955 2964 8 2952 2949 2955 10 2949 2955 2958 11 2949 2955 2961 11 3000 3006 3009 2 2988 2982 2991 4 2985 2982 2988 5 2985 2982 2991 4 2979 2976 2982 14 2979 2976 3000 8 2976 2982 2985 15 2976 2982 2988 15 2973 2970 2976 10 2970 2976 2979 11 3066 3072 3075 2 3060 3054 3063 29 3057 3054 3060 29 3057 3054 3063 29 3051 3045 3054 30 3048 3045 3051 31 3048 3045 3054 30 3045 3054 3057 32 3045 3054 3060 32 3045 3054 3063 32 3042 3036 3045 15 3039 3036 3042 5 3039 3036 3045 15 3036 3045 3048 33 3036 3045 3051 33 3033 3027 3036 15 3030 3027 3033 5 3030 3027 3036 15 3027 3036 3039 15 3027 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3225 3222 3228 5 3225 3222 3231 15 3222 3231 3234 14 3219 3213 3222 15 3216 3213 3219 5 3216 3213 3222 15 3213 3222 3225 15 3213 3222 3228 15 3210 3204 3213 14 3207 3204 3210 9 3207 3204 3213 14 3204 3213 3216 15 3204 3213 3219 15 3201 3204 3207 11 3201 3204 3210 11 3201 3231 3234 11 3282 3288 3291 2 3279 3276 3282 8 3273 3267 3276 15 3270 3267 3273 5 3270 3267 3276 15 3267 3276 3279 14 3258 3255 3261 36 3258 3255 3267 14 3255 3261 3264 37 3255 3267 3270 15 3255 3267 3273 15 3252 3246 3255 14 3249 3246 3252 9 3249 3246 3255 14 3246 3255 3258 14 3243 3246 3249 11 3243 3246 3252 11 3243 3276 3279 11 3300 3294 3303 8 3297 3294 3300 9 3297 3294 3303 8 3291 3288 3294 10 3288 3294 3297 11 3288 3294 3300 11 3342 3339 3345 8 3336 3330 3339 15 3333 3330 3336 5 3333 3330 3339 15 3330 3339 3342 14 3327 3321 3330 15 3324 3321 3327 5 3324 3321 3330 15 3321 3330 3333 15 3321 3330 3336 15 3318 3312 3321 14 3315 3312 3318 9 3315 3312 3321 14 3312 3321 3324 15 3312 3321 3327 15 3309 3312 3315 11 3309 3312 3318 11 3309 3339 3342 11 3390 3396 3399 2 3387 3384 3390 8 3381 3375 3384 15 3378 3375 3381 5 3378 3375 3384 15 3375 3384 3387 14 3366 3363 3369 36 3366 3363 3375 14 3363 3369 3372 37 3363 3375 3378 15 3363 3375 3381 15 3360 3354 3363 14 3357 3354 3360 9 3357 3354 3363 14 3354 3363 3366 14 3351 3354 3357 11 3351 3354 3360 11 3351 3384 3387 11 3408 3402 3411 8 3405 3402 3408 9 3405 3402 3411 8 3399 3396 3402 10 3396 3402 3405 11 3396 3402 3408 11 3450 3447 3453 8 3444 3438 3447 15 3441 3438 3444 5 3441 3438 3447 15 3438 3447 3450 14 3435 3429 3438 15 3432 3429 3435 5 3432 3429 3438 15 3429 3438 3441 15 3429 3438 3444 15 3426 3420 3429 14 3423 3420 3426 9 3423 3420 3429 14 3420 3429 3432 15 3420 3429 3435 15 3417 3420 3423 11 3417 3420 3426 11 3417 3447 3450 11 3498 3504 3507 2 3495 3492 3498 8 3489 3483 3492 15 3486 3483 3489 5 3486 3483 3492 15 3483 3492 3495 14 3474 3471 3477 36 3474 3471 3483 14 3471 3477 3480 37 3471 3483 3486 15 3471 3483 3489 15 3468 3462 3471 14 3465 3462 3468 9 3465 3462 3471 14 3462 3471 3474 14 3459 3462 3465 11 3459 3462 3468 11 3459 3492 3495 11 3516 3510 3519 8 3513 3510 3516 9 3513 3510 3519 8 3507 3504 3510 10 3504 3510 3513 11 3504 3510 3516 11 3558 3555 3561 8 3552 3546 3555 15 3549 3546 3552 5 3549 3546 3555 15 3546 3555 3558 14 3543 3537 3546 15 3540 3537 3543 5 3540 3537 3546 15 3537 3546 3549 15 3537 3546 3552 15 3534 3528 3537 14 3531 3528 3534 9 3531 3528 3537 14 3528 3537 3540 15 3528 3537 3543 15 3525 3528 3531 11 3525 3528 3534 11 3525 3555 3558 11 3606 3612 3615 2 3603 3600 3606 8 3597 3591 3600 15 3594 3591 3597 5 3594 3591 3600 15 3591 3600 3603 14 3582 3579 3585 36 3582 3579 3591 14 3579 3585 3588 37 3579 3591 3594 15 3579 3591 3597 15 3576 3570 3579 14 3573 3570 3576 9 3573 3570 3579 14 3570 3579 3582 14 3567 3570 3573 11 3567 3570 3576 11 3567 3600 3603 11 3627 3633 3636 2 3624 3618 3627 8 3621 3618 3624 9 3621 3618 3627 8 3615 3612 3618 10 3612 3618 3621 11 3612 3618 3624 11 3675 3681 3684 2 3669 3663 3672 5 3666 3663 3669 5 3666 3663 3672 5 3657 3651 3660 5 3654 3651 3657 5 3654 3651 3660 5 3648 3645 3651 15 3648 3645 3663 15 3645 3651 3654 15 3645 3651 3657 15 3645 3651 3660 15 3645 3663 3666 15 3645 3663 3669 15 3645 3663 3672 15 3642 3639 3645 14 3642 3639 3675 8 3639 3645 3648 15 3636 3633 3639 10 3633 3639 3642 11 3693 3687 3696 9 3690 3687 3693 9 3690 3687 3696 9 3684 3681 3687 10 3681 3687 3690 11 3681 3687 3693 11 3681 3687 3696 11 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 15 12 18 1 12 18 24 3 3 12 15 6 3 12 18 7 36 33 39 1 33 39 45 3 24 33 36 6 24 33 39 7 18 24 33 12 66 63 69 1 63 69 75 3 51 45 63 13 45 63 66 6 45 63 69 7 39 45 51 16 39 45 63 12 138 135 141 1 135 141 147 3 117 114 126 18 108 114 117 18 108 114 126 18 99 108 114 22 90 99 108 23 81 75 135 13 81 90 99 24 75 81 90 24 75 135 138 6 75 135 141 7 69 75 81 16 69 75 135 12 159 156 162 1 156 162 165 3 156 162 192 3 147 156 159 6 147 156 162 7 141 147 156 12 201 198 204 1 198 204 210 3 192 198 201 6 192 198 204 7 183 192 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16 951 981 987 12 1035 1032 1038 1 1032 1038 1044 3 1026 1032 1035 6 1026 1032 1038 7 1017 1026 1032 13 1011 1005 1017 35 1005 1017 1026 24 996 993 1026 25 996 1005 1011 35 996 1005 1017 24 993 996 1005 16 993 1026 1032 12 993 1026 1017 16 1056 1053 1059 1 1053 1059 1062 3 1053 1059 1089 3 1044 1053 1056 6 1044 1053 1059 7 1038 1044 1053 12 1098 1095 1101 1 1095 1101 1104 3 1095 1101 1134 3 1089 1095 1098 6 1089 1095 1101 7 1080 1089 1095 13 1071 1080 1089 24 1062 1059 1089 25 1062 1071 1080 24 1059 1062 1071 16 1059 1089 1080 16 1059 1089 1095 12 1143 1140 1146 1 1140 1146 1152 3 1134 1140 1143 6 1134 1140 1146 7 1125 1134 1140 13 1119 1113 1125 35 1113 1125 1134 24 1104 1101 1134 25 1104 1113 1119 35 1104 1113 1125 24 1101 1104 1113 16 1101 1134 1140 12 1101 1134 1125 16 1164 1161 1167 1 1161 1167 1173 3 1152 1161 1164 6 1152 1161 1167 7 1146 1152 1161 12 1212 1209 1215 1 1209 1215 1221 3 1185 1179 1197 24 1179 1173 1209 13 1173 1179 1185 24 1173 1179 1197 24 1173 1209 1212 6 1173 1209 1215 7 1167 1173 1179 16 1167 1173 1209 12 1248 1245 1251 1 1245 1251 1257 3 1236 1245 1248 6 1236 1245 1251 7 1269 1266 1272 1 1266 1272 1278 3 1257 1266 1269 6 1257 1266 1272 7 1251 1257 1266 12 1299 1296 1302 1 1296 1302 1308 3 1284 1278 1296 13 1278 1296 1299 6 1278 1296 1302 7 1272 1278 1284 16 1272 1278 1296 12 1371 1368 1374 1 1368 1374 1380 3 1350 1347 1359 18 1341 1347 1350 18 1341 1347 1359 18 1332 1341 1347 22 1323 1332 1341 23 1314 1308 1368 13 1314 1323 1332 24 1308 1314 1323 24 1308 1368 1371 6 1308 1368 1374 7 1302 1308 1314 16 1302 1308 1368 12 1392 1389 1395 1 1389 1395 1398 3 1389 1395 1425 3 1380 1389 1392 6 1380 1389 1395 7 1374 1380 1389 12 1434 1431 1437 1 1431 1437 1443 3 1425 1431 1434 6 1425 1431 1437 7 1416 1425 1431 13 1407 1416 1425 24 1398 1395 1425 25 1398 1407 1416 24 1395 1398 1407 16 1395 1425 1416 16 1395 1425 1431 12 1464 1461 1467 1 1461 1467 1473 3 1449 1443 1461 13 1443 1461 1464 6 1443 1461 1467 7 1437 1443 1449 16 1437 1443 1461 12 1485 1482 1488 1 1482 1488 1491 3 1482 1488 1518 3 1473 1482 1485 6 1473 1482 1488 7 1467 1473 1482 12 1527 1524 1530 1 1524 1530 1536 3 1518 1524 1527 6 1518 1524 1530 7 1509 1518 1524 13 1500 1509 1518 24 1491 1488 1518 25 1491 1500 1509 24 1488 1491 1500 16 1488 1518 1509 16 1488 1518 1524 12 1578 1575 1581 1 1575 1581 1587 3 1563 1560 1566 1 1551 1560 1563 6 1551 1560 1566 7 1542 1536 1575 13 1542 1551 1560 13 1536 1542 1551 24 1536 1575 1578 6 1536 1575 1581 7 1530 1536 1542 16 1530 1536 1575 12 1599 1596 1602 1 1596 1602 1605 3 1596 1602 1632 3 1587 1596 1599 6 1587 1596 1602 7 1581 1587 1596 12 1641 1638 1644 1 1638 1644 1650 3 1632 1638 1641 6 1632 1638 1644 7 1623 1632 1638 13 1614 1623 1632 24 1605 1602 1632 25 1605 1614 1623 24 1602 1605 1614 16 1602 1632 1623 16 1602 1632 1638 12 1713 1710 1716 1 1710 1716 1722 3 1692 1689 1701 18 1683 1689 1692 18 1683 1689 1701 18 1674 1683 1689 22 1665 1674 1683 23 1656 1650 1710 13 1656 1665 1674 24 1650 1656 1665 24 1650 1710 1713 6 1650 1710 1716 7 1644 1650 1656 16 1644 1650 1710 12 1734 1731 1737 1 1731 1737 1743 3 1722 1731 1734 6 1722 1731 1737 7 1716 1722 1731 12 1770 1767 1773 1 1767 1773 1779 3 1761 1758 1764 27 1749 1743 1767 13 1749 1758 1761 28 1749 1758 1764 28 1743 1749 1758 13 1743 1767 1770 6 1743 1767 1773 7 1737 1743 1749 16 1737 1743 1767 12 1836 1833 1839 1 1833 1839 1845 3 1803 1812 1821 34 1794 1803 1812 24 1785 1779 1833 13 1785 1794 1803 24 1779 1785 1794 24 1779 1833 1836 6 1779 1833 1839 7 1773 1779 1785 16 1773 1779 1833 12 1857 1854 1860 1 1854 1860 1866 3 1845 1854 1857 6 1845 1854 1860 7 1839 1845 1854 12 1902 1899 1905 1 1899 1905 1911 3 1893 1890 1896 27 1881 1890 1893 28 1881 1890 1896 28 1872 1866 1899 13 1872 1881 1890 13 1866 1872 1881 24 1866 1899 1902 6 1866 1899 1905 7 1860 1866 1872 16 1860 1866 1899 12 1944 1941 1947 1 1941 1947 1953 3 1923 1917 1935 35 1917 1911 1941 13 1911 1917 1923 24 1911 1917 1935 35 1911 1941 1944 6 1911 1941 1947 7 1905 1911 1917 16 1905 1911 1941 12 1965 1962 1968 1 1962 1968 1971 3 1962 1968 1998 3 1953 1962 1965 6 1953 1962 1968 7 1947 1953 1962 12 2007 2004 2010 1 2004 2010 2013 3 2004 2010 2043 3 1998 2004 2007 6 1998 2004 2010 7 1989 1998 2004 13 1980 1989 1998 24 1971 1968 1998 25 1971 1980 1989 24 1968 1971 1980 16 1968 1998 1989 16 1968 1998 2004 12 2052 2049 2055 1 2049 2055 2061 3 2043 2049 2052 6 2043 2049 2055 7 2034 2043 2049 13 2028 2022 2034 35 2022 2034 2043 24 2013 2010 2043 25 2013 2022 2028 35 2013 2022 2034 24 2010 2013 2022 16 2010 2043 2049 12 2010 2043 2034 16 2073 2070 2076 1 2070 2076 2079 3 2070 2076 2106 3 2061 2070 2073 6 2061 2070 2076 7 2055 2061 2070 12 2115 2112 2118 1 2112 2118 2121 3 2112 2118 2151 3 2106 2112 2115 6 2106 2112 2118 7 2097 2106 2112 13 2088 2097 2106 24 2079 2076 2106 25 2079 2088 2097 24 2076 2079 2088 16 2076 2106 2097 16 2076 2106 2112 12 2160 2157 2163 1 2157 2163 2169 3 2151 2157 2160 6 2151 2157 2163 7 2142 2151 2157 13 2136 2130 2142 35 2130 2142 2151 24 2121 2118 2151 25 2121 2130 2136 35 2121 2130 2142 24 2118 2121 2130 16 2118 2151 2157 12 2118 2151 2142 16 2181 2178 2184 1 2178 2184 2187 3 2178 2184 2214 3 2169 2178 2181 6 2169 2178 2184 7 2163 2169 2178 12 2223 2220 2226 1 2220 2226 2229 3 2220 2226 2259 3 2214 2220 2223 6 2214 2220 2226 7 2205 2214 2220 13 2196 2205 2214 24 2187 2184 2214 25 2187 2196 2205 24 2184 2187 2196 16 2184 2214 2205 16 2184 2214 2220 12 2268 2265 2271 1 2265 2271 2277 3 2259 2265 2268 6 2259 2265 2271 7 2250 2259 2265 13 2244 2238 2250 35 2238 2250 2259 24 2229 2226 2259 25 2229 2238 2244 35 2229 2238 2250 24 2226 2229 2238 16 2226 2259 2265 12 2226 2259 2250 16 2289 2286 2292 1 2286 2292 2295 3 2286 2292 2322 3 2277 2286 2289 6 2277 2286 2292 7 2271 2277 2286 12 2331 2328 2334 1 2328 2334 2337 3 2328 2334 2367 3 2322 2328 2331 6 2322 2328 2334 7 2313 2322 2328 13 2304 2313 2322 24 2295 2292 2322 25 2295 2304 2313 24 2292 2295 2304 16 2292 2322 2313 16 2292 2322 2328 12 2376 2373 2379 1 2373 2379 2385 3 2367 2373 2376 6 2367 2373 2379 7 2358 2367 2373 13 2352 2346 2358 35 2346 2358 2367 24 2337 2334 2367 25 2337 2346 2352 35 2337 2346 2358 24 2334 2337 2346 16 2334 2367 2373 12 2334 2367 2358 16 2397 2394 2400 1 2394 2400 2406 3 2385 2394 2397 6 2385 2394 2400 7 2379 2385 2394 12 2445 2442 2448 1 2442 2448 2454 3 2418 2412 2430 24 2412 2406 2442 13 2406 2412 2418 24 2406 2412 2430 24 2406 2442 2445 6 2406 2442 2448 7 2400 2406 2412 16 2400 2406 2442 12 2481 2478 2484 1 2478 2484 2490 3 2469 2478 2481 6 2469 2478 2484 7 2502 2499 2505 1 2499 2505 2511 3 2490 2499 2502 6 2490 2499 2505 7 2484 2490 2499 12 2532 2529 2535 1 2529 2535 2541 3 2517 2511 2529 13 2511 2529 2532 6 2511 2529 2535 7 2505 2511 2517 16 2505 2511 2529 12 2604 2601 2607 1 2601 2607 2613 3 2583 2580 2592 18 2574 2580 2583 18 2574 2580 2592 18 2565 2574 2580 22 2556 2565 2574 23 2547 2541 2601 13 2547 2556 2565 24 2541 2547 2556 24 2541 2601 2604 6 2541 2601 2607 7 2535 2541 2547 16 2535 2541 2601 12 2625 2622 2628 1 2622 2628 2631 3 2622 2628 2658 3 2613 2622 2625 6 2613 2622 2628 7 2607 2613 2622 12 2667 2664 2670 1 2664 2670 2676 3 2658 2664 2667 6 2658 2664 2670 7 2649 2658 2664 13 2640 2649 2658 24 2631 2628 2658 25 2631 2640 2649 24 2628 2631 2640 16 2628 2658 2649 16 2628 2658 2664 12 2697 2694 2700 1 2694 2700 2706 3 2682 2676 2694 13 2676 2694 2697 6 2676 2694 2700 7 2670 2676 2682 16 2670 2676 2694 12 2718 2715 2721 1 2715 2721 2724 3 2715 2721 2751 3 2706 2715 2718 6 2706 2715 2721 7 2700 2706 2715 12 2760 2757 2763 1 2757 2763 2769 3 2751 2757 2760 6 2751 2757 2763 7 2742 2751 2757 13 2733 2742 2751 24 2724 2721 2751 25 2724 2733 2742 24 2721 2724 2733 16 2721 2751 2742 16 2721 2751 2757 12 2811 2808 2814 1 2808 2814 2820 3 2796 2793 2799 1 2784 2793 2796 6 2784 2793 2799 7 2775 2769 2808 13 2775 2784 2793 13 2769 2775 2784 24 2769 2808 2811 6 2769 2808 2814 7 2763 2769 2775 16 2763 2769 2808 12 2832 2829 2835 1 2829 2835 2838 3 2829 2835 2865 3 2820 2829 2832 6 2820 2829 2835 7 2814 2820 2829 12 2874 2871 2877 1 2871 2877 2883 3 2865 2871 2874 6 2865 2871 2877 7 2856 2865 2871 13 2847 2856 2865 24 2838 2835 2865 25 2838 2847 2856 24 2835 2838 2847 16 2835 2865 2856 16 2835 2865 2871 12 2946 2943 2949 1 2943 2949 2955 3 2925 2922 2934 18 2916 2922 2925 18 2916 2922 2934 18 2907 2916 2922 22 2898 2907 2916 23 2889 2883 2943 13 2889 2898 2907 24 2883 2889 2898 24 2883 2943 2946 6 2883 2943 2949 7 2877 2883 2889 16 2877 2883 2943 12 2967 2964 2970 1 2964 2970 2976 3 2955 2964 2967 6 2955 2964 2970 7 2949 2955 2964 12 3003 3000 3006 1 3000 3006 3012 3 2994 2991 2997 27 2982 2976 3000 13 2982 2991 2994 28 2982 2991 2997 28 2976 2982 2991 13 2976 3000 3003 6 2976 3000 3006 7 2970 2976 2982 16 2970 2976 3000 12 3069 3066 3072 1 3066 3072 3078 3 3036 3045 3054 34 3027 3036 3045 24 3018 3012 3066 13 3018 3027 3036 24 3012 3018 3027 24 3012 3066 3069 6 3012 3066 3072 7 3006 3012 3018 16 3006 3012 3066 12 3090 3087 3093 1 3087 3093 3099 3 3078 3087 3090 6 3078 3087 3093 7 3072 3078 3087 12 3135 3132 3138 1 3132 3138 3144 3 3126 3123 3129 27 3114 3123 3126 28 3114 3123 3129 28 3105 3099 3132 13 3105 3114 3123 13 3099 3105 3114 24 3099 3132 3135 6 3099 3132 3138 7 3093 3099 3105 16 3093 3099 3132 12 3177 3174 3180 1 3174 3180 3186 3 3156 3150 3168 35 3150 3144 3174 13 3144 3150 3156 24 3144 3150 3168 35 3144 3174 3177 6 3144 3174 3180 7 3138 3144 3150 16 3138 3144 3174 12 3198 3195 3201 1 3195 3201 3204 3 3195 3201 3231 3 3186 3195 3198 6 3186 3195 3201 7 3180 3186 3195 12 3240 3237 3243 1 3237 3243 3246 3 3237 3243 3276 3 3231 3237 3240 6 3231 3237 3243 7 3222 3231 3237 13 3213 3222 3231 24 3204 3201 3231 25 3204 3213 3222 24 3201 3204 3213 16 3201 3231 3222 16 3201 3231 3237 12 3285 3282 3288 1 3282 3288 3294 3 3276 3282 3285 6 3276 3282 3288 7 3267 3276 3282 13 3261 3255 3267 35 3255 3267 3276 24 3246 3243 3276 25 3246 3255 3261 35 3246 3255 3267 24 3243 3246 3255 16 3243 3276 3282 12 3243 3276 3267 16 3306 3303 3309 1 3303 3309 3312 3 3303 3309 3339 3 3294 3303 3306 6 3294 3303 3309 7 3288 3294 3303 12 3348 3345 3351 1 3345 3351 3354 3 3345 3351 3384 3 3339 3345 3348 6 3339 3345 3351 7 3330 3339 3345 13 3321 3330 3339 24 3312 3309 3339 25 3312 3321 3330 24 3309 3312 3321 16 3309 3339 3330 16 3309 3339 3345 12 3393 3390 3396 1 3390 3396 3402 3 3384 3390 3393 6 3384 3390 3396 7 3375 3384 3390 13 3369 3363 3375 35 3363 3375 3384 24 3354 3351 3384 25 3354 3363 3369 35 3354 3363 3375 24 3351 3354 3363 16 3351 3384 3390 12 3351 3384 3375 16 3414 3411 3417 1 3411 3417 3420 3 3411 3417 3447 3 3402 3411 3414 6 3402 3411 3417 7 3396 3402 3411 12 3456 3453 3459 1 3453 3459 3462 3 3453 3459 3492 3 3447 3453 3456 6 3447 3453 3459 7 3438 3447 3453 13 3429 3438 3447 24 3420 3417 3447 25 3420 3429 3438 24 3417 3420 3429 16 3417 3447 3438 16 3417 3447 3453 12 3501 3498 3504 1 3498 3504 3510 3 3492 3498 3501 6 3492 3498 3504 7 3483 3492 3498 13 3477 3471 3483 35 3471 3483 3492 24 3462 3459 3492 25 3462 3471 3477 35 3462 3471 3483 24 3459 3462 3471 16 3459 3492 3498 12 3459 3492 3483 16 3522 3519 3525 1 3519 3525 3528 3 3519 3525 3555 3 3510 3519 3522 6 3510 3519 3525 7 3504 3510 3519 12 3564 3561 3567 1 3561 3567 3570 3 3561 3567 3600 3 3555 3561 3564 6 3555 3561 3567 7 3546 3555 3561 13 3537 3546 3555 24 3528 3525 3555 25 3528 3537 3546 24 3525 3528 3537 16 3525 3555 3546 16 3525 3555 3561 12 3609 3606 3612 1 3606 3612 3618 3 3600 3606 3609 6 3600 3606 3612 7 3591 3600 3606 13 3585 3579 3591 35 3579 3591 3600 24 3570 3567 3600 25 3570 3579 3585 35 3570 3579 3591 24 3567 3570 3579 16 3567 3600 3606 12 3567 3600 3591 16 3630 3627 3633 1 3627 3633 3639 3 3618 3627 3630 6 3618 3627 3633 7 3612 3618 3627 12 3678 3675 3681 1 3675 3681 3687 3 3651 3645 3663 24 3645 3639 3675 13 3639 3645 3651 24 3639 3645 3663 24 3639 3675 3678 6 3639 3675 3681 7 3633 3639 3645 16 3633 3639 3675 12 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 15 12 18 21 1 15 12 -18 21 2 12 18 24 27 3 12 18 24 30 3 9 3 12 15 3 9 3 12 18 3 6 3 12 15 3 6 3 12 18 3 3 12 18 21 2 0 3 12 15 3 0 3 12 18 3 36 33 39 42 1 36 33 -39 42 2 33 39 45 48 3 30 24 33 36 3 30 24 33 39 3 27 24 33 36 3 27 24 33 39 3 24 33 39 42 2 21 18 24 27 3 21 18 24 30 3 21 18 24 33 3 66 63 69 72 1 66 63 -69 72 2 63 69 75 78 3 60 51 45 63 11 57 51 45 63 11 54 51 45 63 11 48 45 51 54 11 48 45 51 57 11 48 45 51 60 11 48 45 63 66 3 48 45 63 69 3 45 63 69 72 2 42 39 45 48 3 42 39 45 51 3 42 39 45 63 3 39 45 51 54 11 39 45 51 57 11 39 45 51 60 11 138 135 141 144 1 138 135 -141 144 2 135 141 147 150 3 135 141 147 153 3 123 117 114 126 14 120 117 114 126 14 117 114 126 129 14 117 114 126 132 14 111 108 114 117 14 111 108 114 126 14 108 114 117 120 14 108 114 117 123 14 108 114 126 129 14 108 114 126 132 14 105 99 108 111 15 105 99 108 114 15 102 99 108 111 15 102 99 108 114 15 96 90 99 102 11 96 90 99 105 11 96 90 99 108 11 93 90 99 102 11 93 90 99 105 11 93 90 99 108 11 90 99 108 111 15 87 81 75 135 11 87 81 90 93 11 87 81 90 96 11 87 81 90 99 11 84 81 75 135 11 84 81 90 93 11 84 81 90 96 11 84 81 90 99 11 81 90 99 102 11 81 90 99 105 11 78 75 81 84 11 78 75 81 87 11 78 75 81 90 11 78 75 135 138 3 78 75 135 141 3 75 81 90 93 11 75 81 90 96 11 75 135 141 144 2 72 69 75 78 3 72 69 75 81 3 72 69 75 135 3 69 75 81 84 11 69 75 81 87 11 156 162 165 168 3 156 162 165 171 3 156 162 192 195 3 153 147 156 159 3 153 147 156 162 3 150 147 156 159 3 150 147 156 162 3 144 141 147 150 3 144 141 147 153 3 144 141 147 156 3 201 198 204 207 1 201 198 -204 207 2 198 204 210 213 3 195 192 198 201 3 195 192 198 204 3 192 198 204 207 2 189 183 192 195 11 189 183 192 198 11 186 183 192 195 11 186 183 192 198 11 180 174 183 186 11 180 174 183 189 11 180 174 183 192 11 177 174 183 186 11 177 174 183 189 11 177 174 183 192 11 174 183 192 195 11 171 165 162 192 3 171 165 174 177 11 171 165 174 180 11 171 165 174 183 11 168 165 162 192 3 168 165 174 177 11 168 165 174 180 11 168 165 174 183 11 165 162 192 195 3 165 174 183 186 11 165 174 183 189 11 162 165 174 177 11 162 165 174 180 11 162 192 183 186 11 162 192 183 189 11 231 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255 285 288 3 258 267 276 279 11 258 267 276 282 11 255 258 267 270 11 255 258 267 273 11 255 285 276 279 11 255 285 276 282 11 345 342 348 351 1 345 342 -348 351 2 342 348 354 357 3 342 348 354 360 3 330 327 333 336 1 330 327 -333 336 2 330 327 333 339 1 330 327 -333 339 2 324 318 327 330 3 324 318 327 333 3 321 318 327 330 3 321 318 327 333 3 318 327 333 336 2 318 327 333 339 2 315 309 303 342 11 315 309 318 321 11 315 309 318 324 11 315 309 318 327 11 312 309 303 342 11 312 309 318 321 11 312 309 318 324 11 312 309 318 327 11 306 303 309 312 11 306 303 309 315 11 306 303 309 318 11 306 303 342 345 3 306 303 342 348 3 303 309 318 321 11 303 309 318 324 11 303 342 348 351 2 300 297 303 306 3 300 297 303 309 3 300 297 303 342 3 297 303 309 312 11 297 303 309 315 11 363 369 372 375 3 363 369 372 378 3 363 369 399 402 3 360 354 363 366 3 360 354 363 369 3 357 354 363 366 3 357 354 363 369 3 351 348 354 357 3 351 348 354 360 3 351 348 354 363 3 408 405 411 414 1 408 405 -411 414 2 405 411 417 420 3 402 399 405 408 3 402 399 405 411 3 399 405 411 414 2 396 390 399 402 11 396 390 399 405 11 393 390 399 402 11 393 390 399 405 11 387 381 390 393 11 387 381 390 396 11 387 381 390 399 11 384 381 390 393 11 384 381 390 396 11 384 381 390 399 11 381 390 399 402 11 378 372 369 399 3 378 372 381 384 11 378 372 381 387 11 378 372 381 390 11 375 372 369 399 3 375 372 381 384 11 375 372 381 387 11 375 372 381 390 11 372 369 399 402 3 372 381 390 393 11 372 381 390 396 11 369 372 381 384 11 369 372 381 387 11 369 399 390 393 11 369 399 390 396 11 480 477 483 486 1 480 477 -483 486 2 477 483 489 492 3 477 483 489 495 3 465 459 456 468 14 462 459 456 468 14 459 456 468 471 14 459 456 468 474 14 453 450 456 459 14 453 450 456 468 14 450 456 459 462 14 450 456 459 465 14 450 456 468 471 14 450 456 468 474 14 447 441 450 453 15 447 441 450 456 15 444 441 450 453 15 444 441 450 456 15 438 432 441 444 11 438 432 441 447 11 438 432 441 450 11 435 432 441 444 11 435 432 441 447 11 435 432 441 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3 2868 2865 2871 2874 3 2868 2865 2871 2877 3 2865 2871 2877 2880 2 2862 2856 2865 2868 11 2862 2856 2865 2871 11 2859 2856 2865 2868 11 2859 2856 2865 2871 11 2853 2847 2856 2859 11 2853 2847 2856 2862 11 2853 2847 2856 2865 11 2850 2847 2856 2859 11 2850 2847 2856 2862 11 2850 2847 2856 2865 11 2847 2856 2865 2868 11 2844 2838 2835 2865 3 2844 2838 2847 2850 11 2844 2838 2847 2853 11 2844 2838 2847 2856 11 2841 2838 2835 2865 3 2841 2838 2847 2850 11 2841 2838 2847 2853 11 2841 2838 2847 2856 11 2838 2835 2865 2868 3 2838 2847 2856 2859 11 2838 2847 2856 2862 11 2835 2838 2847 2850 11 2835 2838 2847 2853 11 2835 2865 2856 2859 11 2835 2865 2856 2862 11 2946 2943 2949 2952 1 2946 2943 -2949 2952 2 2943 2949 2955 2958 3 2943 2949 2955 2961 3 2931 2925 2922 2934 14 2928 2925 2922 2934 14 2925 2922 2934 2937 14 2925 2922 2934 2940 14 2919 2916 2922 2925 14 2919 2916 2922 2934 14 2916 2922 2925 2928 14 2916 2922 2925 2931 14 2916 2922 2934 2937 14 2916 2922 2934 2940 14 2913 2907 2916 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2964 3 3003 3000 3006 3009 1 3003 3000 -3006 3009 2 3000 3006 3012 3015 3 2988 2982 2976 3000 11 2988 2982 2991 2994 3 2988 2982 2991 2997 3 2985 2982 2976 3000 11 2985 2982 2991 2994 3 2985 2982 2991 2997 3 2979 2976 2982 2985 11 2979 2976 2982 2988 11 2979 2976 2982 2991 11 2979 2976 3000 3003 3 2979 2976 3000 3006 3 2976 3000 3006 3009 2 2973 2970 2976 2979 3 2973 2970 2976 2982 3 2973 2970 2976 3000 3 2970 2976 2982 2985 11 2970 2976 2982 2988 11 3069 3066 3072 3075 1 3069 3066 -3072 3075 2 3066 3072 3078 3081 3 3066 3072 3078 3084 3 3051 3045 3054 3057 11 3051 3045 3054 3060 11 3051 3045 3054 3063 11 3048 3045 3054 3057 11 3048 3045 3054 3060 11 3048 3045 3054 3063 11 3042 3036 3045 3048 11 3042 3036 3045 3051 11 3042 3036 3045 3054 11 3039 3036 3045 3048 11 3039 3036 3045 3051 11 3039 3036 3045 3054 11 3036 3045 3054 3057 11 3036 3045 3054 3060 11 3036 3045 3054 3063 11 3033 3027 3036 3039 11 3033 3027 3036 3042 11 3033 3027 3036 3045 11 3030 3027 3036 3039 11 3030 3027 3036 3042 11 3030 3027 3036 3045 11 3027 3036 3045 3048 11 3027 3036 3045 3051 11 3024 3018 3012 3066 11 3024 3018 3027 3030 11 3024 3018 3027 3033 11 3024 3018 3027 3036 11 3021 3018 3012 3066 11 3021 3018 3027 3030 11 3021 3018 3027 3033 11 3021 3018 3027 3036 11 3018 3027 3036 3039 11 3018 3027 3036 3042 11 3015 3012 3018 3021 11 3015 3012 3018 3024 11 3015 3012 3018 3027 11 3015 3012 3066 3069 3 3015 3012 3066 3072 3 3012 3018 3027 3030 11 3012 3018 3027 3033 11 3012 3066 3072 3075 2 3009 3006 3012 3015 3 3009 3006 3012 3018 3 3009 3006 3012 3066 3 3006 3012 3018 3021 11 3006 3012 3018 3024 11 3090 3087 3093 3096 1 3090 3087 -3093 3096 2 3087 3093 3099 3102 3 3084 3078 3087 3090 3 3084 3078 3087 3093 3 3081 3078 3087 3090 3 3081 3078 3087 3093 3 3078 3087 3093 3096 2 3075 3072 3078 3081 3 3075 3072 3078 3084 3 3075 3072 3078 3087 3 3135 3132 3138 3141 1 3135 3132 -3138 3141 2 3132 3138 3144 3147 3 3120 3114 3123 3126 3 3120 3114 3123 3129 3 3117 3114 3123 3126 3 3117 3114 3123 3129 3 3111 3105 3099 3132 11 3111 3105 3114 3117 11 3111 3105 3114 3120 11 3111 3105 3114 3123 11 3108 3105 3099 3132 11 3108 3105 3114 3117 11 3108 3105 3114 3120 11 3108 3105 3114 3123 11 3102 3099 3105 3108 11 3102 3099 3105 3111 11 3102 3099 3105 3114 11 3102 3099 3132 3135 3 3102 3099 3132 3138 3 3099 3105 3114 3117 11 3099 3105 3114 3120 11 3099 3132 3138 3141 2 3096 3093 3099 3102 3 3096 3093 3099 3105 3 3096 3093 3099 3132 3 3093 3099 3105 3108 11 3093 3099 3105 3111 11 3177 3174 3180 3183 1 3177 3174 -3180 3183 2 3174 3180 3186 3189 3 3174 3180 3186 3192 3 3165 3156 3150 3168 11 3162 3156 3150 3168 11 3159 3156 3150 3168 11 3156 3150 3168 3171 16 3153 3150 3144 3174 11 3153 3150 3156 3159 11 3153 3150 3156 3162 11 3153 3150 3156 3165 11 3153 3150 3168 3171 16 3147 3144 3150 3153 11 3147 3144 3150 3156 11 3147 3144 3150 3168 11 3147 3144 3174 3177 3 3147 3144 3174 3180 3 3144 3150 3156 3159 11 3144 3150 3156 3162 11 3144 3150 3156 3165 11 3144 3150 3168 3171 16 3144 3174 3180 3183 2 3141 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1167 1157 1158 1159 1160 1162 1165 1158 1159 1160 1162 1165 1159 1160 1161 1162 1163 1164 1165 1166 1167 1160 1161 1162 1163 1164 1165 1161 1162 1163 1164 1165 1162 1163 1164 1165 1166 1167 1168 1169 1164 1165 1166 1167 1165 1166 1167 1166 1167 1168 1169 1170 1171 1167 1168 1169 1168 1169 1170 1171 1172 1173 1174 1169 1170 1171 1170 1171 1172 1173 1174 1175 1176 1171 1172 1173 1174 1172 1173 1174 1175 1176 1177 1186 1173 1174 1175 1176 1174 1175 1176 1175 1176 1177 1178 1179 1180 1183 1186 1187 1188 1176 1177 1186 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1179 1180 1181 1182 1183 1186 1180 1181 1182 1183 1186 1181 1182 1183 1184 1185 1186 1187 1188 1182 1183 1184 1185 1186 1183 1184 1185 1186 1184 1185 1186 1187 1188 1189 1190 1185 1186 1187 1188 1186 1187 1188 1187 1188 1189 1190 1191 1201 1188 1189 1190 1189 1190 1191 1192 1193 1194 1198 1201 1202 1203 1190 1191 1201 1191 1192 1193 1194 1195 1196 1198 1199 1200 1201 1202 1203 1204 1205 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1193 1194 1195 1196 1198 1201 1194 1195 1196 1198 1201 1195 1196 1197 1198 1199 1200 1201 1202 1203 1196 1197 1198 1199 1200 1201 1197 1198 1199 1200 1201 1198 1199 1200 1201 1202 1203 1204 1205 1200 1201 1202 1203 1201 1202 1203 1202 1203 1204 1205 1206 1207 1203 1204 1205 1204 1205 1206 1207 1208 1209 1210 1205 1206 1207 1206 1207 1208 1209 1210 1211 1212 1207 1208 1209 1210 1208 1209 1210 1211 1212 1213 1214 1209 1210 1211 1212 1210 1211 1212 1211 1212 1213 1214 1215 1216 1226 1212 1213 1214 1213 1214 1215 1216 1217 1218 1222 1226 1227 1228 1214 1215 1216 1226 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1216 1217 1218 1222 1226 1227 1228 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1218 1219 1220 1221 1222 1223 1224 1225 1226 1219 1220 1221 1222 1223 1224 1225 1226 1220 1221 1222 1221 1222 1222 1223 1224 1225 1226 1224 1225 1225 0 1227 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