B2GAP1 -OEChem-04022112063D 67 69 0 0 0 0 0 0 0999 V2000 3.7380 -0.7100 1.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2909 -0.1141 0.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9454 -1.1727 -0.1209 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6977 0.4753 -0.7832 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2039 2.2334 0.9554 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 0.9003 -1.4108 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2918 0.7616 -1.1919 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9582 -0.3636 0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7779 0.0813 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2917 0.0510 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -0.3003 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 -0.3770 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2626 0.1741 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8755 -0.0424 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 -0.2086 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0506 -0.4662 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 0.3188 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6521 -0.0347 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7867 1.1950 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0668 -0.9114 -0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0745 1.4662 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6980 0.4284 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0862 0.3282 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8109 -2.0516 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4881 -0.3992 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8465 -0.5405 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 0.0552 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1434 -0.0385 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7645 -1.2875 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9060 1.1195 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1482 -1.3784 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2896 1.0287 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9108 -0.2203 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9334 -1.4527 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8712 0.0796 1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 1.1681 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8552 -0.3791 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3132 1.1404 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3713 -0.3858 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 0.1437 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3903 -1.3886 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4415 0.0891 1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4591 -1.4609 1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 1.2650 -0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 -0.2455 -1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9572 -0.5295 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9152 1.0365 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1668 0.1613 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -1.3022 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9874 0.0215 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0005 -1.5459 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2841 -0.0852 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 1.4113 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4673 1.0190 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4796 2.4692 -0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6394 0.5420 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1759 -2.5052 -2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7425 -1.7199 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0448 -2.8047 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7443 3.0914 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8434 -0.8768 1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2011 -1.1010 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1893 -2.2023 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4396 2.1019 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6323 -2.3507 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8835 1.9301 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9881 -0.2910 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 20 2 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 4 54 1 0 0 0 0 5 19 2 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 23 2 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 33 2 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 M END $$$$