RDKit 3D 163173 0 0 0 0 0 0 0 0999 V2000 1.6235 0.0053 -3.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -0.9649 -3.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 -0.2834 -1.9550 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8317 0.8258 -2.5509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 0.2214 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4226 -0.9262 -0.2226 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2859 -0.4704 0.7265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 -0.5092 0.2634 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6239 -1.0579 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.0490 1.2779 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7716 -0.5038 2.1881 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4114 -1.7376 1.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -0.3364 3.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2211 0.4969 -0.0227 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1017 -0.2920 -0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2495 0.4311 -1.0775 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5193 -0.1674 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6189 0.8804 -0.7622 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2912 1.9442 0.1042 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0717 3.0554 -0.1026 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7556 3.4300 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1722 3.7457 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6165 4.8126 1.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9379 2.7470 0.0812 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1363 3.4189 -0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1560 2.0704 -0.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0827 2.8535 -1.2145 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4248 2.4391 -2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6778 1.2990 -2.1883 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3271 1.4577 -2.8303 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7845 2.8768 -2.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4165 0.5081 -2.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0176 0.8836 -0.8783 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1705 2.3032 -1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 0.8525 -0.0575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 -2.0094 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -2.9683 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 -2.7909 1.6421 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0734 -4.0070 1.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 -4.1412 0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 -3.1967 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 -3.2860 -0.7054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 -2.1389 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -1.1744 -1.3912 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3052 -0.3655 -0.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -0.4096 -1.3701 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5602 -0.6323 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 0.7520 0.3154 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3922 0.6723 1.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 0.0919 2.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5999 2.0381 2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8126 1.3941 -0.6861 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0531 0.8181 -0.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1195 1.7050 -0.5969 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9673 1.7506 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3666 2.1430 -1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8982 1.0061 -0.5682 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.1628 1.3234 -0.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1152 0.4232 -0.5860 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.7738 -0.1702 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5995 0.6231 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7813 1.9810 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0907 2.9413 1.5276 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5840 2.2147 -0.6687 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.9517 2.5620 -1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1002 1.0863 -1.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9048 0.7152 0.5333 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5375 -0.7578 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8210 1.5483 0.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1735 1.0947 -2.0576 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3511 2.3352 -2.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8072 0.8794 -1.9018 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0301 -5.2745 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 -5.4455 0.6975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5711 -6.2630 2.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3713 -7.3312 2.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 -8.2541 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 -8.1599 4.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1139 -7.0763 3.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 -6.9757 4.2987 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -6.1596 2.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -5.0264 2.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 -4.9264 2.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 0.0116 -4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 -0.2169 -3.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 1.0643 -3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -1.9431 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0928 -1.1629 -3.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 1.6828 -2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 0.6748 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 0.9355 -1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -1.3324 -1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6037 -0.9823 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 -2.0325 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 -1.1863 2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2524 0.8253 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4806 -1.6761 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -1.9206 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9589 -2.5872 2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 0.2561 3.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2856 -1.3404 4.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2317 0.1926 4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7291 1.4954 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1827 1.4478 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5005 -0.2773 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 -1.1026 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5651 0.3858 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4161 3.8881 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2250 4.2972 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7510 2.6067 1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2986 1.9780 0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2428 4.4653 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0114 3.4816 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0725 2.8585 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4924 3.8836 -1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2182 0.4775 -2.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5009 1.3079 -3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5157 3.5892 -3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5271 3.1680 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9034 2.8978 -3.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 0.2460 -1.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9666 2.4308 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 2.6400 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3861 2.9298 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 -3.2064 2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5639 -3.8824 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 -1.7635 -2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 -1.1670 -2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4861 -1.1405 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -1.2921 0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9174 1.3029 0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4616 -0.9952 2.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6974 0.4482 3.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4009 0.5112 2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 2.5646 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1304 1.8948 3.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3125 2.5538 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 2.4717 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6252 2.7222 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0725 0.7217 -2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5945 2.4783 -2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2605 3.0446 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0207 2.3512 -2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9394 0.1008 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6921 -0.3511 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6041 -1.1861 0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1272 0.3113 2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8961 3.0609 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8223 2.9836 -2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4568 3.3417 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5967 1.6699 -1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4680 0.9130 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6569 -1.1824 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 -0.9367 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1968 -1.3846 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6918 0.2675 -2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5316 2.5297 -3.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3674 3.2346 -2.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 2.3216 -3.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 -7.4664 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5544 -9.0929 3.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -8.8860 4.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 -7.6423 4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 6 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 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 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 14 33 1 0 33 34 1 0 33 35 1 0 6 36 1 0 36 37 2 0 37 38 1 0 37 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 48 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 62 64 1 0 64 65 1 0 64 66 1 0 57 67 1 0 67 68 1 0 67 69 1 0 52 70 1 0 70 71 1 0 70 72 1 0 40 73 1 0 73 74 2 0 73 75 1 0 75 76 2 0 76 77 1 0 77 78 2 0 78 79 1 0 79 80 1 0 79 81 2 0 81 82 1 0 82 83 2 0 44 3 1 0 72 46 1 0 81 75 1 0 35 8 1 0 43 36 1 0 69 54 1 0 32 16 1 0 82 39 1 0 29 18 1 0 66 59 1 0 27 20 1 0 1 84 1 0 1 85 1 0 1 86 1 0 2 87 1 0 2 88 1 0 4 89 1 0 5 90 1 0 5 91 1 0 6 92 1 6 8 93 1 6 9 94 1 0 9 95 1 0 10 96 1 1 12 97 1 0 12 98 1 0 12 99 1 0 13100 1 0 13101 1 0 13102 1 0 14103 1 1 16104 1 1 17105 1 0 17106 1 0 18107 1 1 20108 1 6 21109 1 0 21110 1 0 24111 1 1 25112 1 0 25113 1 0 25114 1 0 27115 1 6 29116 1 6 30117 1 6 31118 1 0 31119 1 0 31120 1 0 33121 1 6 34122 1 0 34123 1 0 34124 1 0 38125 1 0 42126 1 0 44127 1 6 46128 1 6 47129 1 0 47130 1 0 48131 1 1 50132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 51137 1 0 52138 1 1 54139 1 1 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 6 59145 1 6 60146 1 0 61147 1 0 64148 1 1 65149 1 0 65150 1 0 65151 1 0 67152 1 1 68153 1 0 68154 1 0 68155 1 0 70156 1 6 71157 1 0 71158 1 0 71159 1 0 76160 1 0 77161 1 0 78162 1 0 80163 1 0 M END