COO Converted by convert_cif2sdf.py 2026/01/30 11:05:38 93 95 0 0 0 0 0 0 0 0999 V2000 6.3519 4.2455 9.8408 C 0 0 0 0 0 6.3164 3.8878 8.3248 C 0 0 0 0 0 6.7384 5.0941 7.4621 C 0 0 0 0 0 4.9087 3.4055 7.8971 C 0 0 0 0 0 4.8790 3.0788 6.5116 O 0 0 0 0 0 3.4891 2.5544 5.8793 P 0 0 0 0 0 3.5198 2.2268 4.4150 O 0 0 0 0 0 3.0578 1.3302 6.8449 O 0 0 0 0 0 2.4472 3.7222 6.2859 O 0 0 0 0 0 2.3520 5.2675 5.8221 P 0 0 0 0 0 3.5692 6.0843 6.1474 O 0 0 0 0 0 2.0241 5.1608 4.2406 O 0 0 0 0 0 0.9772 5.8065 6.4832 O 0 0 0 0 0 -0.2394 5.1183 6.2483 C 0 0 0 0 0 -1.3607 5.8331 6.9822 C 0 0 0 0 0 -2.5950 5.1205 6.7951 O 0 0 0 0 0 -1.1593 5.8925 8.4863 C 0 0 0 0 0 -0.2821 6.9320 8.8643 O 0 0 0 0 0 -0.0547 7.2017 10.4390 P 0 0 0 0 0 -1.2914 7.5613 11.2097 O 0 0 0 0 0 1.1273 8.3055 10.4758 O 0 0 0 0 0 0.6849 5.8487 10.9254 O 0 0 0 0 0 -2.5758 6.0825 8.9940 C 0 0 0 0 0 -2.9555 7.4567 8.9649 O 0 0 0 0 0 -3.4092 5.3070 7.9724 C 0 0 0 0 0 -3.8699 4.0051 8.4577 N 0 0 0 0 0 -3.1735 2.8260 8.3934 C 0 0 0 0 0 -3.8471 1.8200 8.9108 N 0 0 0 0 0 -5.0326 2.3696 9.3299 C 0 0 0 0 0 -5.0669 3.7284 9.0578 C 0 0 0 0 0 -6.0634 4.5859 9.3261 N 0 0 0 0 0 -7.0889 3.9435 9.9265 C 0 0 0 0 0 -7.1975 2.6329 10.2527 N 0 0 0 0 0 -6.1521 1.8250 9.9512 C 0 0 0 0 0 -6.2031 0.4556 10.2650 N 0 0 0 0 0 5.9925 3.1038 10.6146 O 0 0 0 0 0 5.3901 5.3618 10.2437 C 0 0 0 0 0 4.2174 5.1409 10.5420 O 0 0 0 0 0 5.9908 6.6097 10.2562 N 0 0 0 0 0 5.2909 7.8165 10.6296 C 0 0 0 0 0 4.6559 8.4469 9.3976 C 0 0 0 0 0 3.9144 9.7319 9.7193 C 0 0 0 0 0 3.8409 10.1999 10.8514 O 0 0 0 0 0 3.3434 10.2893 8.5841 N 0 0 0 0 0 2.5800 11.5148 8.6120 C 0 0 0 0 0 1.0934 11.2851 8.8509 C 0 0 0 0 0 0.3325 10.2848 7.5365 S 0 0 0 0 0 -1.3416 10.2918 8.0737 C 0 0 0 0 0 -1.6794 10.3668 9.2469 O 0 0 0 0 0 -2.2954 10.1981 6.9402 C 0 0 0 0 0 -3.6145 10.1906 7.1779 C 0 0 0 0 0 -4.6431 10.0991 6.0977 C 0 0 0 0 0 7.3342 2.7522 8.0636 C 0 0 0 0 0 5.0887 3.2567 10.9295 H 0 0 0 0 0 7.3723 4.5261 10.1330 H 0 0 0 0 0 6.9756 6.6920 10.0204 H 0 0 0 0 0 4.5259 7.5747 11.3762 H 0 0 0 0 0 5.9947 8.5136 11.0987 H 0 0 0 0 0 3.9484 7.7448 8.9389 H 0 0 0 0 0 5.4270 8.6698 8.6503 H 0 0 0 0 0 3.4685 9.8151 7.6943 H 0 0 0 0 0 2.9902 12.1198 9.4273 H 0 0 0 0 0 2.7656 12.0503 7.6744 H 0 0 0 0 0 0.9265 10.7839 9.8096 H 0 0 0 0 0 0.5747 12.2487 8.8763 H 0 0 0 0 0 -1.9139 10.1352 5.9267 H 0 0 0 0 0 -3.9952 10.2526 8.1926 H 0 0 0 0 0 -5.2596 9.2070 6.2458 H 0 0 0 0 0 -4.1950 10.0415 5.1007 H 0 0 0 0 0 -5.2946 10.9770 6.1294 H 0 0 0 0 0 8.3357 3.0371 8.4043 H 0 0 0 0 0 7.4078 2.5126 6.9968 H 0 0 0 0 0 7.0522 1.8317 8.5868 H 0 0 0 0 0 6.8570 4.8137 6.4091 H 0 0 0 0 0 7.6975 5.5034 7.7999 H 0 0 0 0 0 5.9931 5.8959 7.4984 H 0 0 0 0 0 4.1587 4.1844 8.0672 H 0 0 0 0 0 4.6111 2.5127 8.4577 H 0 0 0 0 0 3.4898 0.4574 6.7269 H 0 0 0 0 0 2.0511 5.9755 3.6951 H 0 0 0 0 0 -0.4337 5.1040 5.1724 H 0 0 0 0 0 -0.1388 4.0903 6.6090 H 0 0 0 0 0 -1.4750 6.8367 6.5562 H 0 0 0 0 0 -4.3182 5.8419 7.6803 H 0 0 0 0 0 -2.1840 2.7639 7.9589 H 0 0 0 0 0 -7.9443 4.5606 10.1812 H 0 0 0 0 0 -6.2171 -0.2188 9.5238 H 0 0 0 0 0 -6.3203 0.1728 11.2189 H 0 0 0 0 0 -2.7019 5.7386 10.0250 H 0 0 0 0 0 -3.9256 7.4903 9.0367 H 0 0 0 0 0 -0.7611 4.9388 8.8538 H 0 0 0 0 0 1.3999 8.6794 11.3400 H 0 0 0 0 0 0.8553 5.7188 11.8824 H 0 0 0 0 0 1 36 1 0 0 0 1 55 1 0 0 0 1 37 1 0 0 0 1 2 1 0 0 0 2 53 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 74 1 0 0 0 3 75 1 0 0 0 3 76 1 0 0 0 4 77 1 0 0 0 4 78 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 8 79 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 12 80 1 0 0 0 13 14 1 0 0 0 14 81 1 0 0 0 14 82 1 0 0 0 14 15 1 0 0 0 15 83 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 25 1 0 0 0 17 23 1 0 0 0 17 91 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 21 92 1 0 0 0 22 93 1 0 0 0 23 25 1 0 0 0 23 89 1 0 0 0 23 24 1 0 0 0 24 90 1 0 0 0 25 84 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 26 30 1 0 0 0 27 85 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 34 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 32 86 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 87 1 0 0 0 35 88 1 0 0 0 36 54 1 0 0 0 37 38 2 0 0 0 37 39 1 0 0 0 39 56 1 0 0 0 39 40 1 0 0 0 40 57 1 0 0 0 40 58 1 0 0 0 40 41 1 0 0 0 41 59 1 0 0 0 41 60 1 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 42 44 1 0 0 0 44 61 1 0 0 0 44 45 1 0 0 0 45 62 1 0 0 0 45 63 1 0 0 0 45 46 1 0 0 0 46 64 1 0 0 0 46 65 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 2 0 0 0 48 50 1 0 0 0 50 66 1 0 0 0 50 51 2 0 0 0 51 67 1 0 0 0 51 52 1 0 0 0 52 68 1 0 0 0 52 69 1 0 0 0 52 70 1 0 0 0 53 71 1 0 0 0 53 72 1 0 0 0 53 73 1 0 0 0 M END $$$$