FMI Converted by convert_cif2sdf.py 2025/05/30 17:23:43 80 87 0 0 0 0 0 0 0 0999 V2000 -0.6200 0.1681 0.2804 FE 0 0 0 0 0 0.8474 0.8647 1.1576 N 0 0 0 0 0 -1.2001 1.6718 -0.6395 N 0 3 0 0 0 -2.2298 -0.4885 0.9016 N 0 3 0 0 0 0.1289 -1.4045 -0.3523 N 0 0 0 0 0 2.0259 0.1716 1.3369 C 0 0 0 0 0 2.3276 -0.9957 0.6222 C 0 0 0 0 0 1.4669 -1.7031 -0.2339 C 0 0 0 0 0 -0.5310 2.8114 -0.5947 C 0 0 0 0 0 0.5162 3.0963 0.2885 C 0 0 0 0 0 1.1392 2.2119 1.1763 C 0 0 0 0 0 -3.3830 0.1827 0.7765 C 0 0 0 0 0 -3.5332 1.2376 -0.1451 C 0 0 0 0 0 -2.5139 1.8873 -0.8557 C 0 0 0 0 0 -0.5757 -2.5875 -0.4437 C 0 0 0 0 0 -1.8027 -2.7697 0.2007 C 0 0 0 0 0 -2.5221 -1.7966 0.9343 C 0 0 0 0 0 2.7729 1.0237 2.1544 C 0 0 0 0 0 3.9621 0.6357 2.9945 C 0 0 0 0 0 2.2221 2.2920 2.0527 C 0 0 0 0 0 2.7050 3.5324 2.7588 C 0 0 0 0 0 5.2425 0.7960 2.1729 C 0 0 0 0 0 6.4317 0.4080 3.0130 C 0 0 0 0 0 7.6686 0.4695 2.4955 O 0 0 0 0 0 6.2712 0.0402 4.1531 O 0 0 0 0 0 -1.2282 3.7053 -1.5939 C 0 0 0 0 0 -1.4637 5.0970 -1.0023 C 0 0 0 0 0 -0.4206 3.8001 -2.8901 C 0 0 0 0 0 -1.1497 4.7099 -3.8800 C 0 0 0 0 0 -2.5624 2.9835 -1.8325 C 0 0 0 0 0 -3.4373 3.2520 -2.6291 O 0 0 0 0 0 -4.3051 -0.5724 1.6117 C 0 0 0 0 0 -5.5668 -0.0714 2.2660 C 0 0 0 0 0 -3.7755 -1.8491 1.6751 C 0 0 0 0 0 -4.3718 -3.0470 2.3682 C 0 0 0 0 0 -5.1741 -3.8724 1.3605 C 0 0 0 0 0 0.3225 -3.4394 -1.0892 C 0 0 0 0 0 -0.0219 -4.7226 -1.7990 C 0 0 0 0 0 1.5900 -2.8896 -0.9586 C 0 0 0 0 0 2.8693 -3.4697 -1.5029 C 0 0 0 0 0 3.1760 -2.8415 -2.8633 C 0 0 0 0 0 4.4564 -3.4209 -3.4073 C 0 0 0 0 0 5.0616 -4.2519 -2.7726 O 0 0 0 0 0 4.9246 -3.0144 -4.5986 O 0 0 0 0 0 3.3254 -1.3926 0.7412 H 0 0 0 0 0 0.8851 4.1116 0.2857 H 0 0 0 0 0 -4.5408 1.5835 -0.3230 H 0 0 0 0 0 -2.2460 -3.7521 0.1335 H 0 0 0 0 0 4.0117 1.2784 3.8738 H 0 0 0 0 0 3.8610 -0.4031 3.3100 H 0 0 0 0 0 2.1968 3.6250 3.7191 H 0 0 0 0 0 3.7801 3.4627 2.9219 H 0 0 0 0 0 2.4857 4.4082 2.1468 H 0 0 0 0 0 5.1930 0.1533 1.2936 H 0 0 0 0 0 5.3437 1.8348 1.8574 H 0 0 0 0 0 8.3991 0.2110 3.0730 H 0 0 0 0 0 -0.5062 5.5448 -0.7360 H 0 0 0 0 0 -1.9668 5.7239 -1.7389 H 0 0 0 0 0 -2.0857 5.0126 -0.1114 H 0 0 0 0 0 0.5649 4.2134 -2.6740 H 0 0 0 0 0 -0.3104 2.8062 -3.3228 H 0 0 0 0 0 -0.5746 4.7773 -4.8030 H 0 0 0 0 0 -2.1352 4.2964 -4.0951 H 0 0 0 0 0 -1.2597 5.7046 -3.4461 H 0 0 0 0 0 -6.4085 -0.2165 1.5895 H 0 0 0 0 0 -5.7414 -0.6256 3.1885 H 0 0 0 0 0 -5.4612 0.9884 2.4940 H 0 0 0 0 0 -3.5732 -3.6602 2.7858 H 0 0 0 0 0 -5.0303 -2.7121 3.1695 H 0 0 0 0 0 -5.9726 -3.2592 0.9428 H 0 0 0 0 0 -4.5164 -4.2069 0.5582 H 0 0 0 0 0 -5.6062 -4.7383 1.8612 H 0 0 0 0 0 -0.2402 -4.5119 -2.8460 H 0 0 0 0 0 0.8207 -5.4110 -1.7356 H 0 0 0 0 0 -0.8958 -5.1741 -1.3290 H 0 0 0 0 0 3.6865 -3.2580 -0.8126 H 0 0 0 0 0 2.7601 -4.5477 -1.6172 H 0 0 0 0 0 2.3600 -3.0522 -3.5543 H 0 0 0 0 0 3.2864 -1.7625 -2.7497 H 0 0 0 0 0 5.7497 -3.4151 -4.9053 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 2 11 1 0 0 0 3 9 1 0 0 0 3 14 2 0 0 0 4 12 1 0 0 0 4 17 2 0 0 0 5 8 1 0 0 0 5 15 1 0 0 0 6 7 1 0 0 0 6 18 2 0 0 0 7 8 2 0 0 0 7 45 1 0 0 0 8 39 1 0 0 0 9 10 2 0 0 0 9 26 1 0 0 0 10 11 1 0 0 0 10 46 1 0 0 0 11 20 2 0 0 0 12 13 2 0 0 0 12 32 1 0 0 0 13 14 1 0 0 0 13 47 1 0 0 0 14 30 1 0 0 0 15 16 2 0 0 0 15 37 1 0 0 0 16 17 1 0 0 0 16 48 1 0 0 0 17 34 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 19 22 1 0 0 0 19 49 1 0 0 0 19 50 1 0 0 0 20 21 1 0 0 0 21 51 1 0 0 0 21 52 1 0 0 0 21 53 1 0 0 0 22 23 1 0 0 0 22 54 1 0 0 0 22 55 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 24 56 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 26 30 1 0 0 0 27 57 1 0 0 0 27 58 1 0 0 0 27 59 1 0 0 0 28 29 1 0 0 0 28 60 1 0 0 0 28 61 1 0 0 0 29 62 1 0 0 0 29 63 1 0 0 0 29 64 1 0 0 0 30 31 2 0 0 0 32 33 1 0 0 0 32 34 2 0 0 0 33 65 1 0 0 0 33 66 1 0 0 0 33 67 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 35 68 1 0 0 0 35 69 1 0 0 0 36 70 1 0 0 0 36 71 1 0 0 0 36 72 1 0 0 0 37 38 1 0 0 0 37 39 2 0 0 0 38 73 1 0 0 0 38 74 1 0 0 0 38 75 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 40 76 1 0 0 0 40 77 1 0 0 0 41 42 1 0 0 0 41 78 1 0 0 0 41 79 1 0 0 0 42 43 2 0 0 0 42 44 1 0 0 0 44 80 1 0 0 0 M END $$$$