RDKit 3D 96 97 0 0 0 0 0 0 0 0999 V2000 12.0828 0.1784 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5745 1.1765 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 0.5382 -1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3239 0.1089 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2676 -0.5169 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0715 -0.9771 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 0.1365 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 0.4859 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 -0.1713 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7656 0.8279 -1.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 1.9867 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 1.5240 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1741 2.6831 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 2.3851 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 1.6055 2.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 0.2145 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 -0.7606 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6369 -0.9216 1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 -0.2824 2.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 -1.7563 0.8376 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 -1.8862 1.1433 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0978 -3.1749 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -4.1386 0.5987 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0300 -5.2616 0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3947 -5.9331 2.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 -3.6185 -0.7725 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9124 -4.6329 -1.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5721 -2.4590 -1.1401 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0474 -1.9022 -2.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6751 -1.4574 -0.0376 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9896 -1.1812 0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3884 0.1132 0.1346 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6563 0.7855 1.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8969 2.1227 1.1415 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7806 2.9715 2.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4739 2.8465 2.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2001 2.3594 0.3703 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3852 3.7185 0.1316 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 1.6640 -0.9591 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3278 1.5793 -1.5111 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5351 0.2460 -0.8345 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1344 -0.1331 -2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1144 -0.8140 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0678 0.4498 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3088 0.0916 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4299 1.4227 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2031 2.0871 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8695 -0.3442 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1432 1.3239 -2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9168 0.9072 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6817 -0.6877 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6681 -1.4060 -1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9021 0.1807 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4516 -1.5653 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4359 -1.7203 0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0314 0.7406 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8057 1.3547 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 -0.5528 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6514 -1.0781 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 1.2253 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 0.3430 -2.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 2.5763 -0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 2.7180 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 0.8071 0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 1.0454 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 3.2361 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 3.4357 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 3.4138 1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8183 1.9223 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 1.6832 2.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 2.1796 2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 -0.1556 3.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 0.1388 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 -1.7399 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -0.3853 0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 -1.2165 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -4.6361 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 -4.8394 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0106 -5.9332 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3016 -6.3069 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5943 -3.3382 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8464 -4.5951 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5417 -2.9151 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7531 -1.4667 -2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 -0.5073 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5189 0.6767 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0939 2.4839 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5277 2.7704 3.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9223 4.0315 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9294 3.6399 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0780 1.9905 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2005 4.0603 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3881 2.2284 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8977 0.9828 -0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3713 -0.4591 -0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8840 -0.5780 -2.6069 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 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 23 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 34 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 30 21 1 0 41 32 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 10 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 1 23 77 1 6 24 78 1 0 24 79 1 0 25 80 1 0 26 81 1 1 27 82 1 0 28 83 1 6 29 84 1 0 30 85 1 6 32 86 1 6 34 87 1 6 35 88 1 0 35 89 1 0 36 90 1 0 37 91 1 1 38 92 1 0 39 93 1 6 40 94 1 0 41 95 1 1 42 96 1 0 M END