RDKit 3D 102104 0 0 0 0 0 0 0 0999 V2000 0.1376 0.2015 -2.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 0.7054 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 0.9857 -0.2418 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1616 1.4289 -0.9442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 2.7188 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 3.1853 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 4.6939 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 2.6157 1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4824 -0.0863 0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1337 -1.2716 0.0667 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5010 -0.8763 -0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 -0.9435 -1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 -1.3784 -2.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4634 -0.5230 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 -0.0475 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5681 0.3453 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0514 0.2349 -2.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3056 -0.2244 -3.1072 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0206 -0.6032 -2.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -2.4138 1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -2.8235 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 -1.9295 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 -3.6026 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 -3.8696 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -3.0719 -0.6821 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6811 -3.9986 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -2.1876 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 -2.1226 1.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -1.2826 -0.4111 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5445 -1.5163 -1.7364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3388 -1.0235 -2.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1559 -1.3979 -4.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -0.2373 -2.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -1.7227 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1135 -0.6307 1.3145 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6023 -0.3510 1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6599 -0.9589 2.6037 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0967 -2.0455 3.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5984 -2.3832 4.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -2.8115 2.7942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3978 0.6288 0.7917 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2604 1.4345 0.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7894 2.6453 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 3.4691 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4314 3.0218 1.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 0.0789 0.1163 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5431 1.0222 -0.7877 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4072 2.2851 -0.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 3.4729 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 4.7809 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 3.4276 -1.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -0.0049 -2.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 -0.0124 -2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 1.8190 0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4176 2.9092 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 3.4490 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 3.1344 1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2481 5.1818 1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 5.1575 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 4.7596 -0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 1.8838 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7626 2.2617 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 3.4276 1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7468 -0.3439 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 0.4097 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 -1.5304 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 0.0296 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2024 0.7201 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0802 0.5238 -2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4521 -0.9700 -3.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8655 -3.3255 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 -3.5778 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3194 -1.9365 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 -1.0715 2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 -2.7823 3.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9529 -1.8323 2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 -4.5342 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -4.9675 0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2232 -2.5084 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8611 -3.6168 -2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 -4.0421 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1728 -4.9870 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 -0.5931 -4.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7291 -2.3361 -4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0811 -1.6623 -4.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6806 -1.8584 -0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 -2.6778 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9307 0.3390 0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2092 -1.2677 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8161 0.1861 2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 -2.1748 4.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1341 -1.8152 5.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 -3.4822 4.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1706 1.1852 1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6976 2.9788 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7706 4.4716 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3536 3.4940 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 -0.0432 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0841 1.2913 -1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 5.5152 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 5.1150 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8541 4.6637 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 6 8 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 10 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 2 0 27 29 1 0 29 34 1 0 34 35 1 0 35 36 1 0 35 37 1 1 37 38 1 0 38 39 1 0 38 40 2 0 35 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 0 41 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 47 2 1 0 2 1 2 3 29 30 1 6 30 31 1 0 31 32 1 0 31 33 2 0 2 3 1 0 19 14 1 0 46 29 1 0 7 58 1 0 7 59 1 0 7 60 1 0 6 57 1 0 8 61 1 0 8 62 1 0 8 63 1 0 5 55 1 0 5 56 1 0 3 54 1 1 9 64 1 0 9 65 1 0 10 66 1 6 15 67 1 0 16 68 1 0 17 69 1 0 19 70 1 0 21 71 1 0 21 72 1 0 21 73 1 0 22 74 1 0 22 75 1 0 22 76 1 0 23 77 1 0 24 78 1 0 25 79 1 6 26 80 1 0 26 81 1 0 26 82 1 0 34 86 1 0 34 87 1 0 36 88 1 0 36 89 1 0 36 90 1 0 39 91 1 0 39 92 1 0 39 93 1 0 41 94 1 1 44 95 1 0 44 96 1 0 44 97 1 0 46 98 1 1 47 99 1 6 50100 1 0 50101 1 0 50102 1 0 1 52 1 0 1 53 1 0 32 83 1 0 32 84 1 0 32 85 1 0 M END