C3Q Converted by convert_cif2sdf.py 2026/01/30 11:05:38 89 93 0 0 0 0 0 0 0 0999 V2000 10.1169 2.4141 -0.3306 C 0 0 0 0 0 10.3300 0.9123 -0.5338 C 0 0 0 0 0 10.5292 0.2369 0.8245 C 0 0 0 0 0 9.1055 0.3126 -1.2271 C 0 0 0 0 0 8.8775 2.6398 0.5386 C 0 0 0 0 0 9.0767 1.9634 1.8970 C 0 0 0 0 0 7.6520 2.0401 -0.1547 C 0 0 0 0 0 9.2898 0.4625 1.6927 C 0 0 0 0 0 7.8662 0.5383 -0.3589 C 0 0 0 0 0 8.0654 -0.1372 0.9994 C 0 0 0 0 0 -11.2162 1.7753 -1.6197 C 0 0 0 0 0 -10.7459 0.5366 -2.0453 C 0 0 0 0 0 -10.3399 -0.4063 -1.1513 C 0 0 0 0 0 -11.2824 2.0810 -0.2774 C 0 0 0 0 0 -10.8680 1.1225 0.6732 C 0 0 0 0 0 -10.3914 -0.1348 0.2272 C 0 0 0 0 0 -9.9792 -1.0895 1.1727 C 0 0 0 0 0 -10.0433 -0.7944 2.5004 C 0 0 0 0 0 -10.5124 0.4428 2.9370 C 0 0 0 0 0 -10.9204 1.3919 2.0498 C 0 0 0 0 0 -11.7540 3.3243 0.1390 N 0 0 0 0 0 -10.9248 4.4096 -0.4024 C 0 0 0 0 0 -13.1638 3.5029 -0.2333 C 0 0 0 0 0 4.1957 -0.4265 -0.8669 C 0 0 0 0 0 2.9843 -0.3471 -0.2827 N 0 0 0 0 0 1.8115 -0.9209 -0.9458 C 0 0 0 0 0 0.5722 -0.6963 -0.0775 C 0 0 0 0 0 -0.6533 -1.2960 -0.7708 C 0 0 0 0 0 -1.8927 -1.0704 0.0974 C 0 0 0 0 0 -3.1171 -1.6701 -0.5959 C 0 0 0 0 0 -4.3565 -1.4445 0.2724 C 0 0 0 0 0 -5.5809 -2.0452 -0.4209 C 0 0 0 0 0 -6.8203 -1.8195 0.4473 C 0 0 0 0 0 -7.9930 -2.3934 -0.2158 N 0 0 0 0 0 -9.0000 -3.3611 1.8192 O 0 0 0 0 0 -9.3831 -2.6606 0.6429 S 0 0 0 0 0 -10.3375 -3.1604 -0.2827 O 0 0 0 0 0 4.3151 -0.9746 -1.9424 O 0 0 0 0 0 10.9892 2.8417 0.1637 H 0 0 0 0 0 9.9744 2.8951 -1.2979 H 0 0 0 0 0 11.2132 0.7519 -1.1528 H 0 0 0 0 0 10.6816 -0.8321 0.6795 H 0 0 0 0 0 11.4015 0.6644 1.3178 H 0 0 0 0 0 8.9630 0.7946 -2.1945 H 0 0 0 0 0 9.2579 -0.7564 -1.3721 H 0 0 0 0 0 8.7251 3.7088 0.6837 H 0 0 0 0 0 9.9491 2.3909 2.3903 H 0 0 0 0 0 8.1935 2.1238 2.5150 H 0 0 0 0 0 6.7698 2.2006 0.4643 H 0 0 0 0 0 7.5105 2.5210 -1.1230 H 0 0 0 0 0 9.4323 -0.0194 2.6601 H 0 0 0 0 0 8.2178 -1.2072 0.8544 H 0 0 0 0 0 7.1821 0.0233 1.6184 H 0 0 0 0 0 -11.5277 2.5072 -2.3499 H 0 0 0 0 0 -10.7028 0.3192 -3.1025 H 0 0 0 0 0 -9.9784 -1.3622 -1.5001 H 0 0 0 0 0 -9.7258 -1.5294 3.2246 H 0 0 0 0 0 -10.5532 0.6523 3.9965 H 0 0 0 0 0 -11.2809 2.3460 2.4026 H 0 0 0 0 0 -10.9459 4.3742 -1.4917 H 0 0 0 0 0 -11.3156 5.3683 -0.0623 H 0 0 0 0 0 -9.8985 4.2909 -0.0534 H 0 0 0 0 0 -13.7657 2.7256 0.2376 H 0 0 0 0 0 -13.5072 4.4819 0.1033 H 0 0 0 0 0 -13.2658 3.4351 -1.3161 H 0 0 0 0 0 2.8878 0.0913 0.5776 H 0 0 0 0 0 1.6690 -0.4400 -1.9141 H 0 0 0 0 0 1.9629 -1.9910 -1.0917 H 0 0 0 0 0 0.7137 -1.1773 0.8898 H 0 0 0 0 0 0.4197 0.3737 0.0675 H 0 0 0 0 0 -0.7948 -0.8141 -1.7392 H 0 0 0 0 0 -0.5009 -2.3651 -0.9168 H 0 0 0 0 0 -1.7501 -1.5524 1.0648 H 0 0 0 0 0 -2.0441 -0.0004 0.2424 H 0 0 0 0 0 -3.2586 -1.1891 -1.5632 H 0 0 0 0 0 -2.9647 -2.7401 -0.7409 H 0 0 0 0 0 -4.2140 -1.9264 1.2397 H 0 0 0 0 0 -4.5089 -0.3755 0.4174 H 0 0 0 0 0 -5.7234 -1.5632 -1.3883 H 0 0 0 0 0 -5.4285 -3.1142 -0.5659 H 0 0 0 0 0 -6.6788 -2.3005 1.4156 H 0 0 0 0 0 -6.9727 -0.7495 0.5933 H 0 0 0 0 0 -7.9558 -2.6176 -1.1595 H 0 0 0 0 0 5.4023 0.1642 -0.1840 C 0 0 0 0 0 6.6417 -0.0615 -1.0522 C 0 0 0 0 0 5.2499 1.2332 -0.0380 H 0 0 0 0 0 5.5438 -0.3178 0.7834 H 0 0 0 0 0 6.4992 0.4195 -2.0195 H 0 0 0 0 0 6.7931 -1.1315 -1.1972 H 0 0 0 0 0 1 2 1 0 0 0 1 5 1 0 0 0 1 39 1 0 0 0 1 40 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 41 1 0 0 0 3 8 1 0 0 0 3 42 1 0 0 0 3 43 1 0 0 0 4 9 1 0 0 0 4 44 1 0 0 0 4 45 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 46 1 0 0 0 6 8 1 0 0 0 6 47 1 0 0 0 6 48 1 0 0 0 7 9 1 0 0 0 7 49 1 0 0 0 7 50 1 0 0 0 8 10 1 0 0 0 8 51 1 0 0 0 9 10 1 0 0 0 10 52 1 0 0 0 10 53 1 0 0 0 11 12 2 0 0 0 11 14 1 0 0 0 11 54 1 0 0 0 12 13 1 0 0 0 12 55 1 0 0 0 13 16 2 0 0 0 13 56 1 0 0 0 14 15 2 0 0 0 14 21 1 0 0 0 15 16 1 0 0 0 15 20 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 17 36 1 0 0 0 18 19 1 0 0 0 18 57 1 0 0 0 19 20 2 0 0 0 19 58 1 0 0 0 20 59 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 22 60 1 0 0 0 22 61 1 0 0 0 22 62 1 0 0 0 23 63 1 0 0 0 23 64 1 0 0 0 23 65 1 0 0 0 24 25 1 0 0 0 24 38 2 0 0 0 25 26 1 0 0 0 25 66 1 0 0 0 26 27 1 0 0 0 26 67 1 0 0 0 26 68 1 0 0 0 27 28 1 0 0 0 27 69 1 0 0 0 27 70 1 0 0 0 28 29 1 0 0 0 28 71 1 0 0 0 28 72 1 0 0 0 29 30 1 0 0 0 29 73 1 0 0 0 29 74 1 0 0 0 30 31 1 0 0 0 30 75 1 0 0 0 30 76 1 0 0 0 31 32 1 0 0 0 31 77 1 0 0 0 31 78 1 0 0 0 32 33 1 0 0 0 32 79 1 0 0 0 32 80 1 0 0 0 33 34 1 0 0 0 33 81 1 0 0 0 33 82 1 0 0 0 34 36 1 0 0 0 34 83 1 0 0 0 35 36 2 0 0 0 36 37 2 0 0 0 84 85 1 0 0 0 9 85 1 0 0 0 24 84 1 0 0 0 84 86 1 0 0 0 84 87 1 0 0 0 85 88 1 0 0 0 85 89 1 0 0 0 M END $$$$