CRK Converted by convert_cif2sdf.py 2026/01/30 11:05:38 39 40 0 0 0 0 0 0 0 0999 V2000 0.4174 0.0518 -0.2475 C 0 0 0 0 0 -1.7149 -0.4845 -0.4580 C 0 0 0 0 0 0.0094 -3.2023 0.2396 C 0 0 0 0 0 1.8801 -0.0725 -0.2520 C 0 0 0 0 0 -1.5612 0.9183 -0.0327 C 0 0 0 0 0 -0.0875 -2.3239 -0.9807 C 0 0 0 0 0 2.7368 1.1103 0.1201 C 0 0 0 0 0 -2.5777 1.8280 0.2205 C 0 0 0 0 0 -4.2683 0.1608 0.8105 C 0 0 0 0 0 -4.9324 2.2006 -0.3289 C 0 0 0 0 0 6.9309 1.4868 0.3250 C 0 0 0 0 0 -5.5702 -0.2492 0.8205 C 0 0 0 0 0 -6.2311 1.7786 -0.3120 C 0 0 0 0 0 4.2137 0.7168 0.0347 C 0 0 0 0 0 -3.9281 1.3957 0.2340 C 0 0 0 0 0 -6.5605 0.5540 0.2617 C 0 0 0 0 0 -0.2358 1.1408 0.0629 N 0 0 0 0 0 -0.4568 -0.9652 -0.5756 N 0 0 0 0 0 2.3983 -1.1261 -0.5551 O 0 0 0 0 0 -2.7552 -1.0839 -0.6607 O 0 0 0 0 0 -0.2079 -2.7417 1.3347 O 0 0 0 0 0 -7.8523 0.1403 0.2747 O 0 5 0 0 0 5.2451 2.1398 0.4826 S 0 0 0 0 0 0.8768 -2.3018 -1.4899 H 0 0 0 0 0 -0.8454 -2.7213 -1.6551 H 0 0 0 0 0 2.5407 1.9323 -0.5684 H 0 0 0 0 0 2.5026 1.4228 1.1374 H 0 0 0 0 0 -2.3409 2.8652 0.4062 H 0 0 0 0 0 -3.5014 -0.4608 1.2481 H 0 0 0 0 0 -4.6784 3.1517 -0.7738 H 0 0 0 0 0 7.0966 1.1547 -0.6999 H 0 0 0 0 0 7.6473 2.2691 0.5743 H 0 0 0 0 0 7.0595 0.6452 1.0049 H 0 0 0 0 0 -5.8322 -1.1985 1.2635 H 0 0 0 0 0 -7.0039 2.3969 -0.7438 H 0 0 0 0 0 4.4098 -0.1062 0.7221 H 0 0 0 0 0 4.4479 0.4033 -0.9827 H 0 0 0 0 0 0.3382 -4.4981 0.1096 O 0 0 0 0 0 0.3872 -5.0219 0.9212 H 0 0 0 0 0 1 4 1 0 0 0 1 17 2 0 0 0 1 18 1 0 0 0 2 5 1 0 0 0 2 18 1 0 0 0 2 20 2 0 0 0 3 6 1 0 0 0 3 21 2 0 0 0 4 7 1 0 0 0 4 19 2 0 0 0 5 8 2 0 0 0 5 17 1 0 0 0 6 18 1 0 0 0 6 24 1 0 0 0 6 25 1 0 0 0 7 14 1 0 0 0 7 26 1 0 0 0 7 27 1 0 0 0 8 15 1 0 0 0 8 28 1 0 0 0 9 12 2 0 0 0 9 15 1 0 0 0 9 29 1 0 0 0 10 13 1 0 0 0 10 15 2 0 0 0 10 30 1 0 0 0 11 23 1 0 0 0 11 31 1 0 0 0 11 32 1 0 0 0 11 33 1 0 0 0 12 16 1 0 0 0 12 34 1 0 0 0 13 16 2 0 0 0 13 35 1 0 0 0 14 23 1 0 0 0 14 36 1 0 0 0 14 37 1 0 0 0 16 22 1 0 0 0 3 38 1 0 0 0 38 39 1 0 0 0 M END $$$$