RDKit 3D 108108 0 0 0 0 0 0 0 0999 V2000 -0.9923 1.2031 3.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 2.5528 3.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 3.2667 2.2075 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0492 4.6908 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 2.5184 0.9120 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4321 2.5709 0.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 1.7897 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 1.7984 0.4504 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 0.7461 -1.0998 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2315 1.4747 -2.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 0.5527 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2807 2.5246 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 -0.3486 -1.0378 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5391 -0.1589 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 -1.6242 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -2.6007 -0.9177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8785 -1.8900 0.5451 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5577 -1.7846 1.8966 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6228 -2.2861 2.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 -2.7274 1.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 -2.6996 3.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 -3.2364 0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 -3.6772 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2839 -4.5526 1.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 -3.0471 -0.4326 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6995 -3.7690 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -3.6268 -2.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 -3.2276 -2.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 -3.1318 0.1453 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 -4.0742 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5564 -2.3484 1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 -2.9800 2.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2699 -0.8932 1.3791 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3889 -0.3326 2.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 -0.5394 1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 1.1072 2.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9889 -0.2510 0.2315 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 0.3196 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 -0.0631 -1.6042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8744 1.6074 -1.3354 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2539 1.9223 -2.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 3.2186 -3.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 1.8981 -3.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9437 2.6959 -0.4195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 3.2612 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 3.2835 0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 4.5342 0.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 0.7598 4.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 0.5078 2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.4036 4.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 2.5310 2.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5379 3.1545 4.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 3.3863 2.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 5.4519 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 4.9274 2.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3641 4.8594 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0793 1.5362 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2719 0.2997 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2518 2.0638 -2.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7427 -0.4440 -3.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9303 0.4642 -4.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 0.8266 -4.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0843 2.2564 -3.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 2.8662 -1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8557 3.4960 -3.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5728 -0.5871 -2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2974 -0.7753 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9167 0.8661 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 -1.1733 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 -0.7562 2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 -2.0497 3.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 -3.3908 2.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 -1.8884 2.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5244 -2.3499 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 -3.7391 1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5336 -2.8215 3.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -3.5844 3.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 -1.7926 3.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 -1.9824 -0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -4.8728 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -4.1991 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 -4.0942 -3.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -2.5748 -2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0665 -2.9815 -3.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0664 -2.2850 -2.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 -3.9874 -3.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -3.5270 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 -5.0008 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8656 -4.3881 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -0.8460 2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 -0.9225 3.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2807 0.4255 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3575 -1.1938 2.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6799 -1.0439 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 1.5808 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0587 1.2206 3.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1136 1.6656 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 1.3432 -1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 1.1311 -3.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3521 3.1588 -4.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 3.5314 -2.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4097 4.0280 -3.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4012 1.8689 -2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0031 1.0159 -3.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9865 2.7729 -3.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3181 3.9681 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6713 3.7979 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9517 2.4192 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 21 20 1 0 20 18 1 0 18 19 1 0 18 17 1 0 17 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 25 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 31 33 1 0 33 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 40 44 1 0 44 45 1 0 44 46 1 0 46 47 2 0 46 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 5 3 1 0 3 4 1 0 3 2 1 0 2 1 1 0 33 34 1 0 34 35 1 0 34 36 1 0 15 17 1 0 21 76 1 0 21 77 1 0 21 78 1 0 20 74 1 0 20 75 1 0 18 70 1 1 19 71 1 0 19 72 1 0 19 73 1 0 17 69 1 1 25 79 1 6 26 80 1 0 27 81 1 0 27 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 28 86 1 0 30 87 1 0 30 88 1 0 30 89 1 0 33 90 1 1 40 98 1 6 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 43105 1 0 45106 1 0 45107 1 0 45108 1 0 5 57 1 1 9 58 1 1 10 59 1 0 11 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 12 65 1 0 14 66 1 0 14 67 1 0 14 68 1 0 3 53 1 1 4 54 1 0 4 55 1 0 4 56 1 0 2 51 1 0 2 52 1 0 1 48 1 0 1 49 1 0 1 50 1 0 34 91 1 0 35 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 36 97 1 0 M END