JAS Converted by convert_cif2sdf.py 2026/01/30 11:05:38 125128 0 0 0 0 0 0 0 0999 V2000 13.4303 6.1393 3.4974 O 0 0 0 0 0 13.6162 6.2711 2.0940 C 0 0 0 0 0 14.7787 7.1084 1.7983 N 0 0 0 0 0 15.8517 6.4689 1.0420 C 0 0 0 0 0 14.8653 8.3953 2.2202 C 0 0 0 0 0 13.9883 9.1311 2.9152 C 0 0 0 0 0 14.1762 10.5632 3.3404 C 0 0 0 0 0 14.0591 10.7262 4.8636 C 0 0 0 0 0 12.7455 10.3541 5.2859 O 0 0 0 0 0 11.7574 11.1503 4.6522 C 0 0 0 0 0 15.0879 9.8604 5.6196 C 0 0 0 0 0 16.5412 10.1584 5.2484 C 0 0 0 0 0 14.8794 10.0405 7.1246 C 0 0 0 0 0 15.0260 11.1319 7.6746 O 0 0 0 0 0 14.4957 8.7960 7.9133 C 0 0 0 0 0 13.1338 8.2281 7.5078 C 0 0 0 0 0 12.7381 6.9150 8.2294 C 0 0 0 0 0 13.8307 5.8693 7.9623 C 0 0 0 0 0 11.3315 6.4020 7.8270 C 0 0 0 0 0 10.3333 7.3776 8.1192 O 0 0 0 0 0 10.3015 7.6860 9.5043 C 0 0 0 0 0 11.2399 6.0469 6.3371 C 0 0 0 0 0 9.8401 5.5769 5.9481 C 0 0 0 0 0 8.9193 6.6587 6.2268 O 0 0 0 0 0 8.6631 7.5545 5.2315 C 0 0 0 0 0 9.1867 7.5763 4.1255 O 0 0 0 0 0 7.6057 8.5352 5.6865 C 0 0 0 0 0 6.4069 8.5242 4.7350 C 0 0 0 0 0 5.7823 7.2465 4.8478 O 0 0 0 0 0 5.3962 9.6223 5.1042 C 0 0 0 0 0 4.1403 9.6310 4.2151 C 0 0 0 0 0 4.5214 9.8957 2.8660 O 0 0 0 0 0 3.1518 10.7025 4.6897 C 0 0 0 0 0 9.3771 4.3385 6.7566 C 0 0 0 0 0 10.2434 3.1084 6.4706 C 0 0 0 0 0 7.8754 4.0215 6.5553 C 0 0 0 0 0 7.4817 3.6252 5.1272 C 0 0 0 0 0 5.9882 3.6076 4.9723 C 0 0 0 0 0 5.2693 2.5243 4.6445 C 0 0 0 0 0 3.8568 2.6105 4.4857 C 0 0 0 0 0 3.0931 1.5040 4.1441 O 0 0 0 0 0 1.8128 1.9583 4.0621 C 0 0 0 0 0 3.1061 3.6991 4.6204 N 0 0 0 0 0 1.8254 3.2956 4.3495 C 0 0 0 0 0 0.7295 4.1489 4.3641 C 0 0 0 0 0 0.8258 5.4294 4.6784 N 0 0 0 0 0 -0.5518 3.7590 4.0462 O 0 0 0 0 0 -1.2957 4.8925 4.1709 C 0 0 0 0 0 -0.4543 5.9054 4.5555 C 0 0 0 0 0 -0.8194 7.2264 4.7893 C 0 0 0 0 0 0.0317 8.1413 5.2201 N 0 0 0 0 0 -2.0901 7.7114 4.5933 O 0 0 0 0 0 -2.0085 9.0272 4.9259 C 0 0 0 0 0 -0.7157 9.2944 5.3079 C 0 0 0 0 0 -0.1200 10.5801 5.7669 C 0 0 0 0 0 0.7262 10.3953 6.9008 O 0 0 0 0 0 0.0094 9.8462 7.9957 C 0 0 0 0 0 0.6000 11.3524 4.6415 C 0 0 0 0 0 1.0251 12.7494 5.0958 C 0 0 0 0 0 1.7763 10.5691 4.0412 C 0 0 0 0 0 1.5915 9.8418 3.0627 O 0 0 0 0 0 13.7411 5.2693 1.6652 H 0 0 0 0 0 12.7043 6.7013 1.6628 H 0 0 0 0 0 15.4351 5.7460 0.3366 H 0 0 0 0 0 16.5330 5.9472 1.7199 H 0 0 0 0 0 16.4187 7.2184 0.4828 H 0 0 0 0 0 15.8025 8.8467 1.9115 H 0 0 0 0 0 13.0469 8.6643 3.1973 H 0 0 0 0 0 15.1486 10.9339 2.9993 H 0 0 0 0 0 13.4095 11.1594 2.8325 H 0 0 0 0 0 14.2013 11.7779 5.1354 H 0 0 0 0 0 11.0972 11.5828 5.4083 H 0 0 0 0 0 11.1797 10.5328 3.9594 H 0 0 0 0 0 12.2493 11.9532 4.0975 H 0 0 0 0 0 14.9049 8.8007 5.4013 H 0 0 0 0 0 16.8085 11.2032 5.4400 H 0 0 0 0 0 17.2222 9.5372 5.8403 H 0 0 0 0 0 16.7304 9.9458 4.1930 H 0 0 0 0 0 15.2772 8.0386 7.8129 H 0 0 0 0 0 14.4706 9.0890 8.9692 H 0 0 0 0 0 12.3676 8.9937 7.6834 H 0 0 0 0 0 13.1390 8.0513 6.4238 H 0 0 0 0 0 12.7321 7.1113 9.3095 H 0 0 0 0 0 13.8904 5.6102 6.9004 H 0 0 0 0 0 14.8117 6.2478 8.2694 H 0 0 0 0 0 13.6523 4.9506 8.5294 H 0 0 0 0 0 11.0824 5.5036 8.3999 H 0 0 0 0 0 9.9107 6.8296 10.0605 H 0 0 0 0 0 9.6678 8.5608 9.6696 H 0 0 0 0 0 11.3167 7.9046 9.8439 H 0 0 0 0 0 11.4774 6.9183 5.7182 H 0 0 0 0 0 11.9538 5.2524 6.0952 H 0 0 0 0 0 9.8298 5.3406 4.8775 H 0 0 0 0 0 7.2830 8.2706 6.7001 H 0 0 0 0 0 8.0730 9.5248 5.7330 H 0 0 0 0 0 6.7451 8.6456 3.7000 H 0 0 0 0 0 5.8986 10.5953 5.0386 H 0 0 0 0 0 5.0809 9.4773 6.1449 H 0 0 0 0 0 3.6535 8.6507 4.2350 H 0 0 0 0 0 5.3231 9.3768 2.7000 H 0 0 0 0 0 3.5339 11.6997 4.4439 H 0 0 0 0 0 3.0304 10.6278 5.7728 H 0 0 0 0 0 9.4850 4.5780 7.8241 H 0 0 0 0 0 11.0737 3.3685 5.8081 H 0 0 0 0 0 10.6572 2.7053 7.3998 H 0 0 0 0 0 9.6507 2.3241 5.9889 H 0 0 0 0 0 7.2833 4.8878 6.8786 H 0 0 0 0 0 7.5938 3.2066 7.2362 H 0 0 0 0 0 7.9104 2.6478 4.8776 H 0 0 0 0 0 7.8758 4.3440 4.4023 H 0 0 0 0 0 5.4922 4.5633 5.1260 H 0 0 0 0 0 5.7503 1.5655 4.4830 H 0 0 0 0 0 1.0612 1.2292 3.7963 H 0 0 0 0 0 -2.3507 4.7994 3.9577 H 0 0 0 0 0 -2.9172 9.6038 4.8392 H 0 0 0 0 0 -0.9435 11.2128 6.1249 H 0 0 0 0 0 0.3583 10.3007 8.9256 H 0 0 0 0 0 0.1609 8.7641 8.0267 H 0 0 0 0 0 -1.0548 10.0590 7.8666 H 0 0 0 0 0 -0.1078 11.4970 3.8131 H 0 0 0 0 0 1.8092 13.1450 4.4434 H 0 0 0 0 0 0.1749 13.4375 5.0685 H 0 0 0 0 0 1.4120 12.7197 6.1196 H 0 0 0 0 0 12.6516 5.5723 3.6302 H 0 0 0 0 0 5.7675 7.0307 5.7936 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 62 1 0 0 0 2 63 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 64 1 0 0 0 4 65 1 0 0 0 4 66 1 0 0 0 5 6 2 0 0 0 5 67 1 0 0 0 6 7 1 0 0 0 6 68 1 0 0 0 7 8 1 0 0 0 7 69 1 0 0 0 7 70 1 0 0 0 8 9 1 0 0 0 8 11 1 0 0 0 8 71 1 0 0 0 9 10 1 0 0 0 10 72 1 0 0 0 10 73 1 0 0 0 10 74 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 75 1 0 0 0 12 76 1 0 0 0 12 77 1 0 0 0 12 78 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 15 79 1 0 0 0 15 80 1 0 0 0 16 17 1 0 0 0 16 81 1 0 0 0 16 82 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 83 1 0 0 0 18 84 1 0 0 0 18 85 1 0 0 0 18 86 1 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 19 87 1 0 0 0 20 21 1 0 0 0 21 88 1 0 0 0 21 89 1 0 0 0 21 90 1 0 0 0 22 23 1 0 0 0 22 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0 0 59122 1 0 0 0 59123 1 0 0 0 60 61 2 0 0 0 124 1 1 0 0 0 125 29 1 0 0 0 M END $$$$