RDKit 3D 90 95 0 0 0 0 0 0 0 0999 V2000 12.9568 -2.1854 0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9407 -3.0129 1.5085 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6640 -2.6001 1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1879 -1.3614 1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8471 -0.9838 1.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4616 0.3508 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 0.9483 1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 0.5603 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6168 -0.6134 1.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 1.5071 0.8979 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 1.1640 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2396 0.3284 -0.3480 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9153 -0.8564 -0.4013 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3446 1.1089 -1.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1506 1.8022 -1.7087 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 0.7619 -1.4926 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0103 1.4017 -1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8515 1.0320 -2.4841 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9250 2.2769 -3.3952 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2312 2.2615 -4.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 2.4330 -4.1455 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7775 3.7022 -3.9324 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1796 1.3608 -4.0541 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1484 0.4721 -5.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 1.2349 -6.4692 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 0.5546 -2.9824 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2201 0.8076 -1.9869 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6825 1.8394 -1.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6969 1.8035 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 2.9179 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8371 3.0075 1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9849 4.1007 2.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7382 1.9603 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7304 2.0472 2.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8132 3.0590 3.3865 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6057 0.9700 2.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 -0.1236 1.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3545 -1.2496 2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3915 -1.3038 2.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2615 -2.3934 3.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1079 -3.4693 2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9826 -4.5439 2.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0516 -3.4322 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9412 -4.5258 0.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2098 -2.3602 1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4622 -0.1073 1.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6085 0.8578 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5965 0.7751 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 0.0877 -0.2895 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2137 0.5373 0.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0343 -1.9371 2.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5536 -3.1850 2.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8428 -3.5348 2.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3145 -4.7894 2.6731 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9181 -2.6735 1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -2.0259 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8769 -1.2000 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8456 -0.6392 0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3779 1.0640 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4971 2.0739 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 2.0729 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 0.5546 1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3406 -1.6105 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1465 1.8577 -1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4725 -2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2212 0.0826 -2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 0.2193 -3.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 3.1592 -2.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 3.1654 -4.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 2.5014 -5.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 3.5665 -3.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2134 1.8346 -4.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0452 -0.2123 -5.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -0.1803 -5.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0969 1.2003 -6.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 -0.1320 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 3.7247 0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 4.9297 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3640 1.0490 3.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5641 -0.4873 3.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0889 -2.4088 3.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7233 -4.5147 2.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2776 -4.6718 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3885 -2.3041 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4967 -0.0819 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5898 -1.0261 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -0.1776 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0442 -1.6857 2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9096 -3.9072 3.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2675 -5.0533 2.4663 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 6 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 31 33 2 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 2 0 37 46 1 0 46 47 1 0 47 48 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 2 0 27 26 1 0 26 23 1 0 23 24 1 0 24 25 1 0 23 21 1 0 21 22 1 0 21 19 1 0 19 20 1 0 16 49 1 0 49 50 1 0 5 51 2 0 51 52 1 0 52 53 2 0 53 54 1 0 53 3 1 0 49 12 1 0 19 18 1 0 48 29 1 0 45 38 1 0 47 33 1 0 1 55 1 0 1 56 1 0 1 57 1 0 4 58 1 0 6 59 1 0 7 60 1 0 11 61 1 0 11 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 16 66 1 6 18 67 1 6 27 76 1 1 30 77 1 0 32 78 1 0 36 79 1 0 48 85 1 0 39 80 1 0 40 81 1 0 42 82 1 0 44 83 1 0 45 84 1 0 23 72 1 6 24 73 1 0 24 74 1 0 25 75 1 0 21 70 1 6 22 71 1 0 19 68 1 1 20 69 1 0 49 86 1 6 50 87 1 0 51 88 1 0 52 89 1 0 54 90 1 0 M END