RDKit 3D 90 95 0 0 0 0 0 0 0 0999 V2000 2.3078 3.5352 -0.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2928 3.0252 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 3.7958 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5012 3.2223 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7653 3.8772 0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7276 3.1784 1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9443 3.7354 1.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2115 5.0253 1.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4307 5.5852 1.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2907 5.7503 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0656 5.1543 0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1794 1.7401 0.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 0.9579 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2406 -0.4393 0.6408 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0798 -1.1160 0.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -2.4337 0.9258 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2948 -3.1890 0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -3.9440 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.5756 -0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 -2.3396 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1719 -1.4810 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -0.2847 0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 0.0672 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5991 1.2239 -0.2041 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4605 2.2337 0.7597 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4460 2.1228 1.7138 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5689 2.8752 1.5907 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5719 2.1700 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6928 2.9951 0.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3363 4.2926 1.1599 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8907 5.2279 2.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8635 4.6090 1.0263 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6524 5.9031 0.6239 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2957 3.5574 0.1045 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9125 3.7857 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1595 -0.8044 -1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4493 -1.9537 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3656 -4.4437 -1.7599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 -5.5908 -2.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 -6.4313 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 -7.6436 -3.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 -8.4822 -4.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9057 -8.0848 -2.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 -7.2608 -2.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -7.7249 -1.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6413 -6.0243 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0894 -5.2030 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 -5.5011 -0.5826 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 -2.8530 1.1700 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6434 -4.1132 1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 -2.5294 -0.0618 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5759 -2.7866 -1.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -1.0021 -0.0383 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5487 -0.7170 0.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 4.8217 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3504 2.1867 1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 2.1554 1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6781 3.1442 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1373 5.0631 2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5266 6.7618 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3616 5.7499 0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8956 0.8680 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 1.4495 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 -0.2372 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 -2.2888 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.7212 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 0.3109 1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 2.0189 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0436 2.9328 2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 1.9000 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8998 1.2525 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2170 2.8790 1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7960 4.4390 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8398 5.0065 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 4.4071 2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5476 6.3234 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7617 3.5951 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6553 3.2061 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9652 -0.5257 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -2.5980 -2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 -6.0752 -3.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7969 -8.3683 -5.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 -9.0332 -3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 -7.3447 -1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 -2.1622 1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 -4.5789 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2927 -2.9644 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7199 -2.0838 -1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 -0.6679 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1102 -1.5160 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 29 28 1 0 28 27 1 0 27 26 1 0 26 25 1 0 25 24 1 0 24 23 1 0 23 22 2 0 22 21 1 0 21 20 2 0 20 37 1 0 37 36 2 0 20 19 1 0 19 18 2 0 18 17 1 0 17 16 1 0 16 15 1 0 15 14 1 0 14 13 1 0 13 12 1 0 12 2 1 0 2 1 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 14 53 1 0 53 54 1 0 53 51 1 0 51 52 1 0 51 49 1 0 49 50 1 0 18 47 1 0 47 48 2 0 47 46 1 0 46 44 2 0 44 45 1 0 44 43 1 0 43 41 2 0 41 42 1 0 41 40 1 0 40 39 2 0 39 38 1 0 25 34 1 0 34 35 1 0 34 32 1 0 32 33 1 0 32 30 1 0 30 31 1 0 30 27 1 0 36 23 1 0 38 19 1 0 49 16 1 0 39 46 1 0 11 5 1 0 29 72 1 0 28 70 1 0 28 71 1 0 27 69 1 1 25 68 1 1 22 67 1 0 21 66 1 0 37 80 1 0 36 79 1 0 16 65 1 1 14 64 1 1 13 62 1 0 13 63 1 0 3 55 1 0 4 56 1 0 6 57 1 0 7 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 53 89 1 6 54 90 1 0 51 87 1 6 52 88 1 0 49 85 1 1 50 86 1 0 45 84 1 0 43 83 1 0 42 82 1 0 40 81 1 0 34 77 1 6 35 78 1 0 32 75 1 1 33 76 1 0 30 73 1 6 31 74 1 0 M END