RDKit 3D 98100 0 0 0 0 0 0 0 0999 V2000 -3.1548 2.5065 3.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 3.0576 2.2122 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 2.3047 0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 2.7084 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2479 3.7846 -0.4594 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3992 4.7725 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 5.1018 -1.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 5.8134 0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 5.5189 1.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 4.4975 2.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7893 4.4698 2.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 4.9178 1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 4.3658 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 2.8971 0.0232 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7341 2.5332 -1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0486 2.0721 1.0736 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3626 2.5052 1.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 0.5970 0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 0.1278 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 0.5137 0.5757 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 -0.6969 -1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 -0.4216 -2.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 -1.6994 -1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -2.5568 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9241 -3.5550 0.1855 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4923 -4.6986 0.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -2.9733 1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 -3.3924 1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -3.6756 0.0166 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3992 -5.1321 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 -2.7418 0.0047 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7068 -1.5376 0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -3.2328 0.8063 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2750 -4.1125 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0239 -2.2147 1.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2368 -1.7398 1.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2012 -1.5639 2.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 -1.3895 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8605 -1.6653 -0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7691 -0.7491 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8501 -1.3693 -2.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 -2.4871 -2.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 -0.9185 -3.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 -1.5435 -4.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 0.1531 -3.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2371 0.7891 -1.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 0.3575 -0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 1.1236 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2821 0.9648 1.6566 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 1.9492 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7164 2.2175 -2.8894 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1879 2.5629 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 1.5344 3.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 3.2170 4.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9594 5.9968 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 6.8735 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 6.1829 2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 3.6347 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 4.1100 3.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3443 5.7468 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 5.0041 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 2.7496 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 1.7360 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 3.4094 -1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 2.2712 -1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 2.1803 2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 3.1256 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 0.0743 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 0.3484 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 -1.3253 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 0.0218 -3.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 0.2597 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0492 -1.8776 -2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 -2.0534 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 -3.2245 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 -3.8743 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -5.3178 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 -2.1757 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -3.5436 2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -3.4506 -0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -5.5292 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5799 -5.6904 -0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9164 -5.2883 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 -2.5229 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.9179 -0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8975 -3.9310 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0143 -4.1429 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3163 -3.8531 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1908 -5.1982 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4627 -1.8191 2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 -2.3400 2.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6497 -0.5574 2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6613 -1.6147 3.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1939 -2.9162 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -1.3771 -5.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3431 -2.6246 -4.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -0.9967 -5.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7152 0.5702 -3.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 38 39 2 0 38 40 1 0 40 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 2 0 45 46 1 0 46 50 1 0 50 51 2 0 46 47 2 0 47 48 1 0 48 49 2 0 48 3 1 0 50 4 1 0 47 40 1 0 1 52 1 0 1 53 1 0 1 54 1 0 7 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 12 60 1 0 13 61 1 0 14 62 1 6 15 63 1 0 15 64 1 0 15 65 1 0 16 66 1 1 17 67 1 0 18 68 1 0 18 69 1 0 22 70 1 0 22 71 1 0 22 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 25 76 1 6 26 77 1 0 27 78 1 0 28 79 1 0 29 80 1 6 30 81 1 0 30 82 1 0 30 83 1 0 31 84 1 6 32 85 1 0 33 86 1 1 34 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 37 91 1 0 37 92 1 0 37 93 1 0 42 94 1 0 44 95 1 0 44 96 1 0 44 97 1 0 45 98 1 0 M END