J1M Converted by convert_cif2sdf.py 2024/03/29 11:09:15 59 61 0 0 0 0 0 0 0 0999 V2000 -2.2830 0.6465 -0.5791 C 0 0 0 0 0 -4.4266 1.5616 -1.1543 C 0 0 0 0 0 -5.0470 0.5639 -0.4122 C 0 0 0 0 0 -6.4020 0.5200 -0.3355 O 0 0 0 0 0 -6.9734 -0.5321 0.4438 C 0 0 0 0 0 -8.4766 -0.4206 0.4138 C 0 0 0 0 0 -10.5761 -0.9674 -0.5981 C 0 0 0 0 0 -11.2323 -0.2151 0.3582 C 0 0 0 0 0 -9.1317 0.3361 1.3667 C 0 0 0 0 0 -4.2833 -0.3891 0.2505 C 0 0 0 0 0 -2.9084 -0.3544 0.1646 C 0 0 0 0 0 6.1123 -0.2395 1.5497 C 0 0 0 0 0 7.9867 -1.0021 2.8279 O 0 0 0 0 0 5.8649 1.8141 0.1817 C 0 0 0 0 0 5.5275 0.3254 0.2813 C 0 0 0 0 0 4.0080 0.1465 0.2960 C 0 0 0 0 0 3.4005 0.8406 -0.9238 C 0 0 0 0 0 1.2666 1.7866 -0.2154 C 0 0 0 0 0 -0.0800 1.7665 -0.1215 C 0 0 0 0 0 -0.8060 0.6866 -0.6741 C 0 0 0 0 0 -0.1107 -0.3341 -1.3061 C 0 0 0 0 0 1.2868 -0.2636 -1.3761 C 0 0 0 0 0 -3.0525 1.6053 -1.2390 C 0 0 0 0 0 -9.1977 -1.0702 -0.5703 C 0 0 0 0 0 -10.5100 0.4389 1.3389 C 0 0 0 0 0 5.5914 -2.2312 -0.9019 C 0 0 0 0 0 1.9393 0.7847 -0.8410 N 0 0 0 0 0 7.4373 -0.4723 1.6356 N 0 0 0 0 0 1.9145 -1.1544 -1.9293 O 0 0 0 0 0 5.3918 -0.4835 2.4939 O 0 0 0 0 0 5.6460 -0.0165 -2.3313 O 0 0 0 0 0 7.6392 -0.5743 -1.0162 O 0 0 0 0 0 6.2244 -0.5498 -1.1475 S 0 0 0 0 0 -5.0231 2.3008 -1.6688 H 0 0 0 0 0 -6.6731 -1.4953 0.0314 H 0 0 0 0 0 -6.6238 -0.4530 1.4734 H 0 0 0 0 0 -11.1406 -1.4776 -1.3643 H 0 0 0 0 0 -12.3100 -0.1371 0.3389 H 0 0 0 0 0 -8.5681 0.8463 2.1329 H 0 0 0 0 0 -4.7686 -1.1640 0.8262 H 0 0 0 0 0 -2.3170 -1.1016 0.6720 H 0 0 0 0 0 8.9444 -1.1344 2.7953 H 0 0 0 0 0 6.9475 1.9410 0.1701 H 0 0 0 0 0 5.4423 2.2219 -0.7361 H 0 0 0 0 0 5.4466 2.3401 1.0395 H 0 0 0 0 0 3.7664 -0.9159 0.2675 H 0 0 0 0 0 3.6001 0.5877 1.2060 H 0 0 0 0 0 3.7237 1.8814 -0.9485 H 0 0 0 0 0 3.7322 0.3360 -1.8314 H 0 0 0 0 0 1.8180 2.6137 0.2079 H 0 0 0 0 0 -0.6002 2.5721 0.3752 H 0 0 0 0 0 -0.6392 -1.1716 -1.7369 H 0 0 0 0 0 -2.5702 2.3814 -1.8155 H 0 0 0 0 0 -8.6855 -1.6573 -1.3170 H 0 0 0 0 0 -11.0232 1.0293 2.0840 H 0 0 0 0 0 5.9436 -2.8739 -1.7090 H 0 0 0 0 0 5.9484 -2.6186 0.0528 H 0 0 0 0 0 4.5015 -2.2133 -0.9011 H 0 0 0 0 0 8.0139 -0.2764 0.8813 H 0 0 0 0 0 13 28 1 0 0 0 28 12 1 0 0 0 30 12 2 0 0 0 12 15 1 0 0 0 31 33 2 0 0 0 32 33 2 0 0 0 17 27 1 0 0 0 17 16 1 0 0 0 33 15 1 0 0 0 33 26 1 0 0 0 15 16 1 0 0 0 15 14 1 0 0 0 27 18 1 0 0 0 27 22 1 0 0 0 18 19 2 0 0 0 29 22 2 0 0 0 22 21 1 0 0 0 19 20 1 0 0 0 21 20 2 0 0 0 20 1 1 0 0 0 23 1 2 0 0 0 23 2 1 0 0 0 1 11 1 0 0 0 2 3 2 0 0 0 11 10 2 0 0 0 3 10 1 0 0 0 3 4 1 0 0 0 5 4 1 0 0 0 5 6 1 0 0 0 9 6 2 0 0 0 9 25 1 0 0 0 6 24 1 0 0 0 25 8 2 0 0 0 24 7 2 0 0 0 8 7 1 0 0 0 2 34 1 0 0 0 5 35 1 0 0 0 5 36 1 0 0 0 7 37 1 0 0 0 8 38 1 0 0 0 9 39 1 0 0 0 10 40 1 0 0 0 11 41 1 0 0 0 13 42 1 0 0 0 14 43 1 0 0 0 14 44 1 0 0 0 14 45 1 0 0 0 16 46 1 0 0 0 16 47 1 0 0 0 17 48 1 0 0 0 17 49 1 0 0 0 18 50 1 0 0 0 19 51 1 0 0 0 21 52 1 0 0 0 23 53 1 0 0 0 24 54 1 0 0 0 25 55 1 0 0 0 26 56 1 0 0 0 26 57 1 0 0 0 26 58 1 0 0 0 28 59 1 0 0 0 M END $$$$