HEM Converted by convert_cif2sdf.py 2024/03/29 11:09:15 75 82 0 0 0 0 0 0 0 0999 V2000 -2.1639 0.1827 -0.5366 C 0 0 0 0 0 1.5558 3.3621 -0.3445 C 0 0 0 0 0 4.6933 -0.3285 -0.0859 C 0 0 0 0 0 0.9681 -3.5065 -0.1808 C 0 0 0 0 0 -1.4018 1.3380 -0.4151 C 0 0 0 0 0 -1.9407 2.6355 -0.3223 C 0 0 0 0 0 -0.9068 3.5166 -0.2701 C 0 0 0 0 0 0.2959 2.7837 -0.3296 C 0 0 0 0 0 -1.0262 5.0152 -0.1664 C 0 0 0 0 0 -3.4055 2.9856 -0.2885 C 0 0 0 0 0 -3.8914 3.0060 1.1624 C 0 0 0 0 0 -5.3562 3.3560 1.1972 C 0 0 0 0 0 -5.9516 3.5667 0.1675 O 0 0 0 0 0 -6.0007 3.4325 2.3723 O 0 0 0 0 0 2.7395 2.6143 -0.3780 C 0 0 0 0 0 4.0291 3.1986 -0.4953 C 0 0 0 0 0 4.9370 2.1821 -0.4240 C 0 0 0 0 0 4.1446 0.9403 -0.2616 C 0 0 0 0 0 4.3368 4.6635 -0.6665 C 0 0 0 0 0 6.4052 2.2948 -0.4940 C 0 0 0 0 0 7.0397 3.1838 0.2643 C 0 0 0 0 0 3.9225 -1.4836 0.0079 C 0 0 0 0 0 4.4549 -2.7611 0.2466 C 0 0 0 0 0 3.4060 -3.6646 0.2362 C 0 0 0 0 0 2.2173 -2.9330 -0.0306 C 0 0 0 0 0 5.9093 -3.0888 0.4714 C 0 0 0 0 0 3.5046 -5.1178 0.4618 C 0 0 0 0 0 4.0597 -5.5820 1.5761 C 0 0 0 0 0 -0.1908 -2.7591 -0.4298 C 0 0 0 0 0 -1.4943 -3.3486 -0.7655 C 0 0 0 0 0 -2.3663 -2.3205 -0.8661 C 0 0 0 0 0 -1.6029 -1.0961 -0.5904 C 0 0 0 0 0 -1.7984 -4.8116 -0.9595 C 0 0 0 0 0 -3.8328 -2.4128 -1.1959 C 0 0 0 0 0 -4.6469 -2.4435 0.0986 C 0 0 0 0 0 -6.1144 -2.5357 -0.2312 C 0 0 0 0 0 -6.4730 -2.5730 -1.3851 O 0 0 0 0 0 -7.0234 -2.5757 0.7554 O 0 0 0 0 0 -0.0292 1.4466 -0.3738 N 0 0 0 0 0 2.8567 1.2875 -0.3043 N 0 0 0 0 0 2.5564 -1.6008 -0.1158 N 0 0 0 0 0 -0.3245 -1.4328 -0.4022 N 0 0 0 0 0 1.0047 -0.2052 -0.0395 FE 0 0 0 0 0 1.6289 4.4492 -0.3276 H 0 0 0 0 0 5.7771 -0.4228 -0.0193 H 0 0 0 0 0 0.8797 -4.5891 -0.0994 H 0 0 0 0 0 -1.0467 5.3062 0.8838 H 0 0 0 0 0 -0.1719 5.4828 -0.6558 H 0 0 0 0 0 -1.9461 5.3416 -0.6520 H 0 0 0 0 0 -3.5546 3.9682 -0.7354 H 0 0 0 0 0 -3.9706 2.2409 -0.8499 H 0 0 0 0 0 -3.7413 2.0223 1.6093 H 0 0 0 0 0 -3.3263 3.7497 1.7238 H 0 0 0 0 0 3.4060 5.2305 -0.6891 H 0 0 0 0 0 4.9509 5.0063 0.1665 H 0 0 0 0 0 4.8767 4.8148 -1.6016 H 0 0 0 0 0 6.9643 1.6560 -1.1606 H 0 0 0 0 0 8.1020 3.3349 0.1439 H 0 0 0 0 0 6.4926 3.7549 1.0004 H 0 0 0 0 0 6.4994 -2.1742 0.4226 H 0 0 0 0 0 6.0292 -3.5473 1.4531 H 0 0 0 0 0 6.2480 -3.7830 -0.2971 H 0 0 0 0 0 3.1266 -5.8057 -0.2803 H 0 0 0 0 0 4.5041 -4.8974 2.2832 H 0 0 0 0 0 4.0647 -6.6436 1.7756 H 0 0 0 0 0 -0.8892 -5.3944 -0.8118 H 0 0 0 0 0 -2.5524 -5.1245 -0.2375 H 0 0 0 0 0 -2.1736 -4.9732 -1.9705 H 0 0 0 0 0 -4.1268 -1.5471 -1.7901 H 0 0 0 0 0 -4.0209 -3.3239 -1.7650 H 0 0 0 0 0 -4.3529 -3.3092 0.6928 H 0 0 0 0 0 -4.4588 -1.5324 0.6677 H 0 0 0 0 0 -6.9397 3.6607 2.3442 H 0 0 0 0 0 -7.9526 -2.6346 0.4946 H 0 0 0 0 0 -3.2475 0.2798 -0.5961 H 0 0 0 0 0 1 5 1 0 0 0 1 32 2 0 0 0 1 75 1 0 0 0 2 8 1 0 0 0 2 15 2 0 0 0 2 44 1 0 0 0 3 18 1 0 0 0 3 22 2 0 0 0 3 45 1 0 0 0 4 25 2 0 0 0 4 29 1 0 0 0 4 46 1 0 0 0 5 6 2 0 0 0 5 39 1 0 0 0 6 7 1 0 0 0 6 10 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 8 39 1 0 0 0 9 47 1 0 0 0 9 48 1 0 0 0 9 49 1 0 0 0 10 11 1 0 0 0 10 50 1 0 0 0 10 51 1 0 0 0 11 12 1 0 0 0 11 52 1 0 0 0 11 53 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0 15 16 1 0 0 0 15 40 1 0 0 0 16 17 2 0 0 0 16 19 1 0 0 0 17 18 1 0 0 0 17 20 1 0 0 0 18 40 2 0 0 0 19 54 1 0 0 0 19 55 1 0 0 0 19 56 1 0 0 0 20 21 2 0 0 0 20 57 1 0 0 0 21 58 1 0 0 0 21 59 1 0 0 0 22 23 1 0 0 0 22 41 1 0 0 0 23 24 2 0 0 0 23 26 1 0 0 0 24 25 1 0 0 0 24 27 1 0 0 0 25 41 1 0 0 0 26 60 1 0 0 0 26 61 1 0 0 0 26 62 1 0 0 0 27 28 2 0 0 0 27 63 1 0 0 0 28 64 1 0 0 0 28 65 1 0 0 0 29 30 1 0 0 0 29 42 2 0 0 0 30 31 2 0 0 0 30 33 1 0 0 0 31 32 1 0 0 0 31 34 1 0 0 0 32 42 1 0 0 0 33 66 1 0 0 0 33 67 1 0 0 0 33 68 1 0 0 0 34 35 1 0 0 0 34 69 1 0 0 0 34 70 1 0 0 0 35 36 1 0 0 0 35 71 1 0 0 0 35 72 1 0 0 0 36 37 2 0 0 0 36 38 1 0 0 0 14 73 1 0 0 0 38 74 1 0 0 0 43 39 1 0 0 0 43 40 1 0 0 0 43 41 1 0 0 0 43 42 1 0 0 0 M END $$$$