RDKit 3D 87 92 0 0 0 0 0 0 0 0999 V2000 12.7377 2.5139 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7088 1.6036 1.1946 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5815 1.5136 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5681 0.6471 0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4199 0.5593 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2626 1.3197 -1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1287 1.3143 -2.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 0.7698 -2.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1865 -0.1046 -1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4766 -0.6258 -0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -0.4852 -1.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0545 -1.3394 -0.9915 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7799 -0.6732 -0.5289 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2599 0.1958 -1.4704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 -1.7400 -0.1131 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0748 -1.2743 0.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.4410 0.4681 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1543 -2.1845 1.5210 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2914 -2.7939 1.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 -1.6236 1.1034 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9565 -1.9336 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2691 -0.8717 -1.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 -0.2548 1.4447 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1225 0.8665 1.3954 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3002 0.7745 0.7185 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4419 1.0804 1.4813 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2337 0.0011 1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1369 -0.2503 0.7021 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6155 -0.4374 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9605 0.6192 -1.2404 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1845 0.8571 0.7701 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7635 0.7841 2.0306 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5557 2.1990 0.5839 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7019 2.6309 -0.7476 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1384 2.3063 1.0480 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1455 3.2661 2.1057 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3449 2.0072 0.9622 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9909 2.0972 1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 1.0120 1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 -0.0808 0.4680 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5707 -2.8085 0.4059 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0912 -3.5471 -0.6811 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1347 -4.5079 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6938 -2.6120 -1.7101 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7308 -2.4274 -2.7008 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3177 2.1968 -1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4392 2.2918 -0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5206 2.4137 1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1073 2.2799 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3736 3.5581 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 0.0384 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7127 -0.1566 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2793 1.9710 -3.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3983 1.0924 -3.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6036 -1.6366 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 -0.0903 0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 0.5238 -2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 -2.1341 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 -1.9111 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 -1.8270 2.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9063 -2.5410 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2634 -2.6055 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9231 -0.8974 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7146 -0.2430 2.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3985 1.1855 2.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0085 1.3202 2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6502 -1.2304 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9355 -1.3383 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4291 -0.7315 -1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 0.3150 -2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9289 0.6326 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3391 1.5801 2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2088 2.9227 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0817 3.3999 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5567 2.8692 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0688 2.8272 2.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 3.0013 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 1.0369 1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 0.2726 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 -4.1018 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -5.3973 -0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 -4.0172 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 -4.8517 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 -3.1357 -2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -1.6355 -3.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2407 2.8251 -2.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2145 3.0060 -1.0272 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 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 44 1 0 44 45 1 0 44 42 1 0 42 43 1 0 42 41 1 0 41 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 1 21 22 1 0 20 23 1 0 23 40 1 0 40 39 1 0 39 38 2 0 38 37 1 0 37 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 15 13 1 0 13 14 1 0 6 46 1 0 46 47 2 0 47 3 1 0 13 12 1 0 40 17 1 0 35 26 1 0 20 18 1 0 24 23 1 0 1 48 1 0 1 49 1 0 1 50 1 0 4 51 1 0 5 52 1 0 7 53 1 0 8 54 1 0 12 55 1 1 44 84 1 6 45 85 1 0 42 80 1 6 43 81 1 0 43 82 1 0 43 83 1 0 15 58 1 6 17 59 1 6 18 60 1 1 21 61 1 0 21 62 1 0 22 63 1 0 23 64 1 1 40 79 1 6 39 78 1 0 38 77 1 0 24 65 1 1 26 66 1 1 28 67 1 1 29 68 1 0 29 69 1 0 30 70 1 0 31 71 1 6 32 72 1 0 33 73 1 1 34 74 1 0 35 75 1 6 36 76 1 0 13 56 1 1 14 57 1 0 46 86 1 0 47 87 1 0 M END