RDKit 3D 100102 0 0 0 0 0 0 0 0999 V2000 -5.7491 3.3055 -4.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5313 3.3455 -2.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3201 2.0627 -2.3519 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0017 2.1297 -1.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 1.1113 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7598 0.4828 -2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 1.0593 -3.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 1.7569 -3.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 1.3270 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.1200 -2.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 -0.5811 -1.4984 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1199 0.4878 -1.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 0.2873 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9756 -0.8118 -1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 1.4605 -0.7623 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0471 2.5132 -1.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 1.1121 -0.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 1.3482 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 1.8779 1.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9349 1.0130 0.5438 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4568 1.3977 1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 0.4534 2.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6771 -0.8626 2.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1476 -1.0210 1.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0839 -0.5076 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 -0.9661 -0.2554 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1498 -0.4942 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -2.4363 -0.2196 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1083 -2.7307 -0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -3.1448 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8962 -3.3424 1.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 -3.6461 1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -3.3672 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 -1.9608 2.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -1.5427 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 -1.1988 3.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4711 -0.6974 3.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -0.3804 4.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -0.5332 2.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9085 0.0741 2.5364 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7895 1.8834 2.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 -0.8497 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -1.3788 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 -1.7208 -0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7871 -0.4501 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7588 0.3638 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 -0.1532 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 1.7780 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6552 2.6858 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 4.3497 -4.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8795 3.0303 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 1.2995 -3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 3.0290 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 0.6983 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0283 -0.5757 -3.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 0.9741 -4.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 2.7055 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 1.9889 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 -0.5440 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -0.5178 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -1.4979 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 1.8717 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 3.2768 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 2.9307 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 1.9639 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 0.6719 -1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 1.5080 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5592 1.3058 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2258 2.4626 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 0.2742 2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1239 0.8896 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 -1.6854 3.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4868 -0.9054 3.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1054 -0.5433 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2652 -2.1075 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 -0.7763 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -0.9478 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -0.4355 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 0.4956 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -1.1754 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 -0.4506 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 -2.8542 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0925 -2.8600 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 -3.1553 2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -2.8135 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -4.4434 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 -4.3432 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -4.0158 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -3.6257 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 -1.9643 3.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -1.1802 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -1.3319 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -0.0137 4.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6651 2.3726 2.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6325 2.1799 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8777 2.2228 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 -1.9398 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7907 -0.8102 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 2.1772 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2241 2.4163 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 11 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 1 0 39 42 1 0 42 43 2 0 43 44 1 0 42 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 3 1 0 25 20 1 0 43 35 1 0 1 49 1 0 1 50 1 0 1 51 1 0 3 52 1 6 4 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 10 60 1 0 11 61 1 6 15 62 1 1 16 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 20 67 1 6 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 26 78 1 6 27 79 1 0 27 80 1 0 27 81 1 0 28 82 1 6 29 83 1 0 31 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 36 92 1 0 38 93 1 0 41 94 1 0 41 95 1 0 41 96 1 0 44 97 1 0 45 98 1 0 48 99 1 0 48100 1 0 M END