RDKit 3D 147149 0 0 0 0 0 0 0 0999 V2000 2.3000 3.5678 -6.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 3.5752 -5.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1936 4.6948 -5.8942 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 2.5770 -5.0507 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 1.4034 -4.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 0.5224 -6.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 -0.6759 -5.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 -1.5412 -4.6279 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5124 -2.0379 -5.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4082 -2.4883 -4.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -2.4525 -2.8845 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 -2.9892 -4.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2682 -3.0958 -5.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5291 -3.5851 -5.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3258 -4.0096 -4.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8128 -3.9191 -3.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5999 -4.3418 -2.4999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5602 -3.4303 -3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0744 -3.3503 -2.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 -2.7129 -4.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 -3.6254 -5.2433 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 -2.7538 -3.1875 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 -3.7142 -2.6993 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9071 -3.2910 -1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 -3.2151 -0.4329 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9361 -2.8070 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 -2.4528 1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -2.7906 1.6889 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4721 -2.3405 1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -0.9655 0.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 -0.4867 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -1.3572 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 0.9341 0.0194 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1425 1.7948 1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 1.6111 1.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 1.1052 -0.4002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 1.6641 -1.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0104 2.0356 -2.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3079 1.7885 -1.9835 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9019 3.1584 -1.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9528 4.0004 -0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 4.4263 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 5.2928 0.8961 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8803 4.8120 2.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 5.7480 3.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 3.4694 2.4126 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 1.3773 -3.4116 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 0.5433 -3.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3578 0.1227 -2.9517 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6837 0.1198 -5.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 0.5035 -6.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 0.0751 -7.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0963 -0.7226 -7.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9603 -1.1004 -6.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0637 -1.9135 -7.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7528 -0.6803 -5.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6324 -1.0705 -4.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9373 -2.2154 3.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 -2.8005 4.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 -3.8287 3.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 -2.2309 5.4765 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8487 -0.7857 5.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8165 0.1341 4.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 1.5902 5.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4813 1.7523 4.3374 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 2.8433 3.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 2.8498 3.1889 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 4.0428 4.0329 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 -2.5134 6.1589 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1341 -3.5045 7.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 -4.1154 7.4521 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 -3.8011 7.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 -3.1481 7.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5313 -3.4359 8.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 -4.4041 8.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4176 -5.0760 9.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5038 -6.0487 10.3288 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -4.7811 8.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -5.5030 9.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 -4.9904 -2.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 -5.0272 -2.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2468 -6.0883 -2.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1594 3.1963 -5.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 3.9611 -7.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 4.5497 -6.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 5.6844 -5.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 0.8332 -3.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 1.7346 -4.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2068 1.1116 -6.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6432 0.3296 -6.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 -0.3235 -5.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6336 -1.3115 -6.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 -1.0950 -3.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3013 -2.0320 -6.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 -2.7710 -6.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9511 -3.6603 -6.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3179 -4.3996 -5.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5121 -4.7042 -2.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5782 -3.6416 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2356 -1.9442 -2.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1477 -3.9649 -3.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4038 -2.3068 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6929 -4.0259 -1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -3.9087 1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6186 -2.6537 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -2.8438 0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 1.2806 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 2.8658 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.5446 2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 2.4227 2.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 0.7966 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9748 1.0845 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9428 3.1198 -2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3203 3.7249 -2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 4.9353 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5917 3.5729 0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 3.5797 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 4.9972 -1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 6.7085 3.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 5.4196 3.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2738 2.7181 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8556 3.2425 3.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 1.7193 -4.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9563 1.1269 -5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 0.3639 -8.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2425 -1.0466 -8.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 -2.2389 -8.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4137 -1.6526 -4.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 -1.3729 3.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -2.8480 5.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 -0.5247 6.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8856 -0.5467 5.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 -0.1384 3.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 0.0500 5.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 2.2416 4.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 1.9136 6.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 2.4486 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 3.2554 3.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 4.3347 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2805 4.6494 4.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 -1.9343 5.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -2.3698 6.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 -2.9069 7.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5033 -4.6919 9.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 -6.5442 10.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -5.5323 9.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1016 -6.5556 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 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 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 8 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 33 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 3 44 45 1 0 44 46 1 0 39 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 2 0 56 57 1 0 28 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 2 3 66 67 1 0 66 68 1 0 61 69 1 0 69 70 1 0 70 71 2 0 70 72 1 0 72 73 2 0 73 74 1 0 74 75 2 0 75 76 1 0 76 77 1 0 76 78 2 0 78 79 1 0 23 80 1 0 80 81 2 0 80 82 1 0 18 12 1 0 56 50 1 0 78 72 1 0 1 83 1 0 1 84 1 0 3 85 1 0 3 86 1 0 5 87 1 0 5 88 1 0 6 89 1 0 6 90 1 0 7 91 1 0 7 92 1 0 8 93 1 1 9 94 1 0 13 95 1 0 14 96 1 0 15 97 1 0 17 98 1 0 19 99 1 0 22100 1 0 23101 1 6 24102 1 0 24103 1 0 28104 1 1 29105 1 0 29106 1 0 33107 1 6 34108 1 0 34109 1 0 35110 1 0 36111 1 0 39112 1 1 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 51124 1 0 52125 1 0 53126 1 0 55127 1 0 57128 1 0 58129 1 0 61130 1 1 62131 1 0 62132 1 0 63133 1 0 63134 1 0 64135 1 0 64136 1 0 67137 1 0 67138 1 0 68139 1 0 68140 1 0 69141 1 0 73142 1 0 74143 1 0 75144 1 0 77145 1 0 79146 1 0 82147 1 0 M END