RDKit 3D 112113 0 0 0 0 0 0 0 0999 V2000 13.9310 2.8365 1.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8450 2.6114 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9909 1.1593 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9178 0.3113 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5637 0.7148 -0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4258 -0.1415 0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3684 -0.0620 1.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4283 -0.7811 2.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9752 -0.6650 2.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3536 -1.0964 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8077 -0.9465 1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3617 -1.4196 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8944 -1.3723 -0.1756 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7344 -1.8652 -1.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -0.0055 -0.1823 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9561 0.9436 -1.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 0.8485 -2.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 0.4209 -1.8061 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0207 -0.4405 -2.7819 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0346 0.2449 -4.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4425 -0.5223 -2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -1.0918 -1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 -1.2400 -0.7802 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8329 -0.0565 -0.8148 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7056 -2.3649 -1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1389 -2.6964 -1.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1169 -1.6139 -1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5336 -2.1462 -1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5122 -1.0681 -1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3992 0.1797 -1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4171 1.1841 -1.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8352 0.7377 -1.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2695 0.3882 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1597 1.5434 0.8588 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.9675 2.6199 0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6153 1.1337 2.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0396 0.7782 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9428 0.8606 1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2427 0.3806 1.8556 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.3187 1.4539 1.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0219 0.0619 3.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7118 0.2575 3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1046 0.0600 4.5968 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 -0.0939 -0.5609 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3094 1.8959 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5828 3.6762 1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9256 3.0971 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7131 3.1528 -0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8960 2.9927 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9954 0.7765 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8954 1.0299 -1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1703 -0.7388 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9935 0.4413 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3541 1.7968 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4830 0.6041 -1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5538 0.2067 -0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6620 -1.1832 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3340 1.0493 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4181 -0.3246 2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6514 -1.9108 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7041 -0.5909 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5713 -1.3862 3.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5696 0.3114 3.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4842 -2.2183 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 -0.6380 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 0.1405 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3749 -1.4839 2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 -0.9248 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 -2.5181 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -2.0839 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4385 -2.5255 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 0.4466 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 2.0100 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 0.6677 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 0.0381 -3.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 1.7720 -2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 1.4039 -1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -1.4465 -2.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.2970 -4.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 0.5493 -2.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 -1.1314 -3.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.0460 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 -0.3857 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 -1.5654 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 0.7447 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 -3.3101 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4658 -2.2405 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3501 -3.1181 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3525 -3.5681 -2.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -1.3235 -2.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0259 -0.7747 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6711 -2.2996 -0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7005 -3.0877 -2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2758 -0.7776 -3.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5584 -1.4498 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4057 0.6802 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4814 -0.0481 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2078 1.3614 -2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2814 2.1775 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0510 -0.1163 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4659 1.6175 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5577 -0.3980 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2271 -0.1043 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1163 1.9077 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5080 3.4601 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9858 0.2961 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4171 1.9823 2.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8495 1.2514 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5079 -0.5222 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2223 1.8964 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2858 0.8831 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3180 2.1795 2.4876 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 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 44 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 44 15 1 0 42 37 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 1 14 71 1 0 15 72 1 1 16 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 1 19 78 1 6 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 23 84 1 1 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 1 35105 1 0 36106 1 0 36107 1 0 38108 1 0 39109 1 6 40110 1 0 40111 1 0 40112 1 0 M END