RDKit 3D 156159 0 0 0 0 0 0 0 0999 V2000 16.8120 4.0639 -1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1544 2.6741 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2862 2.1449 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7005 0.8147 0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 0.7165 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7857 -0.6904 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3175 -0.9802 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6767 -0.7916 -0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1599 -1.1287 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0197 -2.5161 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7431 -3.2286 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8138 -2.7825 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9275 -1.5793 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9102 -1.8701 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 -0.8329 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 -1.3502 -1.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4102 -1.4909 -2.5267 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 -1.6211 -1.1083 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 -1.8969 -0.7934 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2908 -0.8294 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2903 0.4570 -1.0904 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5951 0.9792 -1.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4854 1.5266 -0.3369 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3092 2.0060 0.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 1.0247 0.1452 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 1.6706 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5542 1.0081 1.5834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 3.0052 1.6082 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1672 2.9451 3.0922 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8611 2.6134 3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 4.3412 3.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3898 4.9054 2.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5765 3.8536 1.4472 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 3.7020 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 4.6034 -0.4477 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6975 2.6972 0.3385 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9446 3.6336 0.3660 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1139 2.9648 0.1732 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8955 4.5667 1.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9009 4.0039 2.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3498 2.7693 3.2123 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4625 4.6702 3.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 2.1221 -1.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5796 0.8747 -1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 0.5989 -1.9913 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -0.2150 -1.8715 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9582 0.0601 -1.9065 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2095 1.3463 -2.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6660 -0.3621 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1355 -0.1117 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7403 0.8898 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1025 1.1569 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8974 0.4278 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2812 0.7114 -0.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3514 -0.5799 -1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1448 -1.3184 -2.4685 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9533 -2.7414 -2.1551 S 0 0 1 0 0 6 0 0 0 0 0 0 -15.4316 -2.6262 -2.4708 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4262 -3.8272 -3.0222 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8371 -3.2391 -0.5602 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9759 -0.8241 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2722 -1.5587 -1.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3118 -2.3111 -0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1641 -3.5554 -1.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 -1.8655 0.2512 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1878 -1.9196 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1357 -2.1253 2.5769 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5786 -3.0777 3.5001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8639 -2.4778 1.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2691 -2.7499 0.5029 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6901 -3.6608 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7251 -4.9084 -0.1005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 -3.3627 -1.6879 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4286 -4.4284 -2.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6005 -4.2504 -3.8579 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 -3.6910 -1.4573 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 -3.0018 -1.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 -3.3374 -2.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9919 4.3898 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1868 4.8058 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7540 3.9520 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7126 2.0455 -1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1314 2.7458 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7967 2.8844 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3646 2.1002 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1929 0.0100 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8602 0.5507 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0190 0.8704 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6418 1.4166 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3447 -1.4350 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0969 -0.9577 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7372 -0.3524 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2479 -2.0412 1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7544 0.2492 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1511 -1.4940 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 -0.3792 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7325 -0.9540 -1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5349 -3.1247 -1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7418 -2.7964 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0052 -4.3249 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1729 -3.1954 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -2.7002 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 -3.6496 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 -0.6651 0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4109 -1.4284 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4725 -1.8969 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -2.8912 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2608 0.0959 -0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3064 -0.6234 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -1.9137 -2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 -2.5200 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 -1.2982 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5975 -0.5530 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0527 0.3532 -2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 1.6833 -1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 2.3590 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4095 1.3096 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 0.1174 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5076 3.5364 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 2.2074 3.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 1.6478 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 4.2965 4.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 5.0086 3.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 5.2855 2.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 5.8026 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8687 2.0054 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7644 4.2186 -0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6855 3.4665 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8397 5.2252 1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0522 5.3021 1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9295 1.9143 3.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3386 2.7320 3.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5628 2.9909 -1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3018 -0.3907 -3.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3984 -0.6107 -2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4192 1.8285 -2.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5132 -1.4327 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2790 0.1702 0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1955 1.5066 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5355 1.9616 0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6617 1.4468 -0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6520 -2.4720 0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5977 -1.6343 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1564 -2.1699 -1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9817 -0.8811 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8207 -2.8221 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8249 -1.0176 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0696 -1.1546 3.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5719 -3.0128 3.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 -3.3556 2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2027 -1.5792 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2027 -2.4051 -2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 -5.4026 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4594 -4.2555 -3.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 -4.7860 -3.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 -4.7487 -1.1501 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 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 2 0 36 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 53 54 1 0 53 55 1 0 55 56 1 0 57 56 1 1 57 58 2 0 57 59 2 0 57 60 1 0 55 61 2 0 46 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 2 0 71 73 1 0 73 74 1 0 74 75 1 0 73 76 1 0 76 77 1 0 77 78 2 0 77 19 1 0 33 28 1 0 61 50 1 0 70 65 1 0 1 79 1 0 1 80 1 0 1 81 1 0 2 82 1 0 2 83 1 0 3 84 1 0 3 85 1 0 4 86 1 0 4 87 1 0 5 88 1 0 5 89 1 0 6 90 1 0 6 91 1 0 7 92 1 0 7 93 1 0 8 94 1 0 8 95 1 0 9 96 1 0 9 97 1 0 10 98 1 0 10 99 1 0 11100 1 0 11101 1 0 12102 1 0 12103 1 0 13104 1 0 13105 1 0 14106 1 0 14107 1 0 15108 1 0 15109 1 0 18110 1 0 19111 1 1 20112 1 0 20113 1 0 21114 1 6 22115 1 0 23116 1 6 24117 1 0 25118 1 0 28119 1 6 29120 1 1 30121 1 0 31122 1 0 31123 1 0 32124 1 0 32125 1 0 36126 1 1 37127 1 6 38128 1 0 39129 1 0 39130 1 0 41131 1 0 41132 1 0 43133 1 0 46134 1 6 47135 1 6 48136 1 0 49137 1 0 49138 1 0 51139 1 0 52140 1 0 54141 1 0 60142 1 0 61143 1 0 62144 1 0 65145 1 6 66146 1 0 66147 1 0 67148 1 1 68149 1 0 69150 1 0 69151 1 0 73152 1 6 74153 1 0 74154 1 0 75155 1 0 76156 1 0 M END