RDKit 3D 86 90 0 0 0 0 0 0 0 0999 V2000 -4.7249 3.1545 -0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 2.6930 -0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3682 3.5221 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4606 4.9920 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5607 5.7880 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 7.2151 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 7.6780 0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 8.0316 -1.4221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 2.6402 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 2.9886 0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 2.4443 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 1.1565 0.5167 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 0.8935 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 -0.4135 0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 -1.5643 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -1.7448 0.7099 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 -2.9794 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -3.5510 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 -2.7785 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6232 -1.5769 -0.6384 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -1.1490 -0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4601 0.0861 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 1.3361 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 1.3858 -0.2421 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6643 -2.1061 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -2.0682 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9107 -2.9889 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3519 -2.8860 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9440 -1.7902 0.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1041 -4.0534 0.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8103 -3.1295 0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -4.3754 1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0262 -3.6067 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 -4.9993 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -6.0197 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -5.7994 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -5.1330 1.6934 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 -6.3542 -0.0518 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0545 -2.7155 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -2.9658 -0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5092 2.1368 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 2.3680 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7827 2.9920 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9419 2.3579 1.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4274 1.3207 2.3355 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8136 3.0107 2.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 3.1060 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 4.5159 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6594 4.0834 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3304 3.3539 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1896 2.4051 -1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5204 5.3220 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 5.1590 1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 5.5414 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 5.5882 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 7.7271 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 3.9619 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 -0.5109 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 -1.0270 1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -4.6167 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 -1.0408 -1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4167 0.1458 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4614 -1.0338 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1903 -2.4552 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 -4.0172 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8448 -2.5210 -1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6817 -4.8038 0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3398 -4.6925 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0766 -4.1280 1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4372 -5.1752 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 -4.9383 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 -5.2802 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 -7.0023 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 -6.1363 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9575 -6.0669 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7552 -2.0274 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 -3.8287 -1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1002 -3.1706 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 3.0435 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 1.4041 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5371 4.1055 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8322 3.0735 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3252 3.8371 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 4.8940 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 4.6046 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 5.1580 0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 40 39 1 0 39 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 38 1 0 36 37 2 0 33 17 1 0 17 18 2 0 18 19 1 0 19 31 2 0 31 32 1 0 31 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 30 1 0 28 29 2 0 25 21 2 0 21 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 13 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 46 1 0 44 45 2 0 41 47 2 0 47 48 1 0 9 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 8 1 0 6 7 2 0 3 2 2 0 2 1 1 0 15 39 1 0 16 17 1 0 20 19 1 0 2 23 1 0 47 11 1 0 40 76 1 0 40 77 1 0 40 78 1 0 34 71 1 0 34 72 1 0 35 73 1 0 35 74 1 0 38 75 1 0 18 60 1 0 32 68 1 0 32 69 1 0 32 70 1 0 26 63 1 0 26 64 1 0 27 65 1 0 27 66 1 0 30 67 1 0 20 61 1 0 22 62 1 0 10 57 1 0 14 58 1 0 16 59 1 0 42 79 1 0 42 80 1 0 43 81 1 0 43 82 1 0 46 83 1 0 48 84 1 0 48 85 1 0 48 86 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 8 56 1 0 1 49 1 0 1 50 1 0 1 51 1 0 M END