RDKit 3D 99102 0 0 0 0 0 0 0 0999 V2000 7.9155 2.3251 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6128 1.0818 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1095 -0.2001 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 -0.2296 1.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1711 -1.2634 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -0.7137 -0.1080 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9410 -0.9261 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5901 0.0433 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -0.5696 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0734 0.2028 0.1167 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1870 1.6108 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 -0.4506 -0.5139 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8059 -1.9304 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3504 -2.2913 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3196 -1.1018 -0.6054 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7530 -0.9761 -0.2856 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5142 -1.8692 -1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9879 -1.8126 -1.0064 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6222 -2.4450 -2.0983 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5709 -3.7188 -1.6244 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.0858 -4.9495 -2.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9783 -3.4522 -2.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5094 -3.9065 0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4729 -0.3832 -1.0165 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9430 -0.3122 -0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4542 0.7076 0.0927 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7752 1.0158 -0.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9028 0.5645 0.8380 S 0 0 0 0 0 6 0 0 0 0 0 0 -9.9294 1.6660 1.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2317 0.3377 2.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6852 -0.8675 0.4174 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6833 1.9834 0.1498 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8958 2.5320 1.4356 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7186 3.9691 1.3883 S 0 0 0 0 0 6 0 0 0 0 0 0 -7.4996 4.1600 2.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7239 5.1061 1.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8021 4.0819 0.1389 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2459 1.8834 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 0.4905 -0.0591 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8184 0.0656 1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 0.4243 -0.4850 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3933 1.4621 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 1.2962 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 0.0165 0.0106 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5181 -0.0807 1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4152 2.2927 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2146 2.7350 -0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 3.1813 0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5997 1.0713 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7137 1.2291 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9976 -1.3044 2.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1892 0.0047 2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 0.3655 2.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6044 -0.9852 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7081 -2.2480 -0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0037 -1.2606 0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7391 -1.7814 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1044 -0.0008 -2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 -1.5192 -1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 -1.5856 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -0.1480 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 1.1212 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3509 -0.5898 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1695 -1.6000 0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 0.2362 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 2.3972 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 1.6997 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2119 1.7729 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8932 -0.4753 -1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -2.0818 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 -2.5586 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -3.2435 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 -2.3258 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 -1.1155 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -1.3934 0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 -2.9197 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3535 -1.4780 -2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2977 -2.3422 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2238 -4.5508 0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2188 0.0129 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3059 -1.3251 -0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4564 -0.1734 -1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5594 0.2219 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9754 -1.4734 0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1539 2.7126 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4249 4.3839 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 2.5318 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0183 2.3037 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -0.9555 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 0.0713 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4048 0.8124 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 0.6048 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 1.3869 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 2.4562 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 1.2184 -1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 2.2067 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 -0.4878 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 0.9559 1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 -0.6396 1.9466 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 3 5 1 0 3 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 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 1 0 19 20 1 0 20 23 1 0 20 21 2 0 20 22 2 0 18 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 31 1 0 28 29 2 0 28 30 2 0 26 32 1 0 32 38 1 0 38 39 1 0 39 40 1 1 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 1 32 33 1 0 33 34 1 0 34 37 1 0 34 35 2 0 34 36 2 0 44 12 1 0 44 15 1 0 41 16 1 0 39 24 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 4 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 5 56 1 0 6 57 1 1 7 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 1 11 66 1 0 11 67 1 0 11 68 1 0 12 69 1 6 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 6 16 75 1 1 17 76 1 0 17 77 1 0 18 78 1 1 23 79 1 0 24 80 1 6 25 81 1 0 25 82 1 0 26 83 1 1 31 84 1 0 32 85 1 6 38 87 1 0 38 88 1 0 40 89 1 0 40 90 1 0 40 91 1 0 41 92 1 6 42 93 1 0 42 94 1 0 43 95 1 0 43 96 1 0 45 97 1 0 45 98 1 0 45 99 1 0 37 86 1 0 M END