JWA Converted by convert_cif2sdf.py 2024/03/29 11:09:15 52 54 0 0 0 0 0 0 0 0999 V2000 0.2890 1.3337 0.2690 C 0 0 0 0 0 1.5390 0.8082 -0.0518 C 0 0 0 0 0 1.7200 0.1441 -1.2621 C 0 0 0 0 0 0.6616 0.0098 -2.1384 C 0 0 0 0 0 -0.5767 0.5333 -1.8153 C 0 0 0 0 0 -0.7625 1.1942 -0.6136 C 0 0 0 0 0 2.6740 0.9565 0.8936 C 0 0 0 0 0 -2.3459 1.8517 -0.2065 S 0 0 0 0 0 -2.2349 2.3807 1.1072 O 0 0 0 0 0 -2.7578 2.6263 -1.3245 O 0 0 0 0 0 -1.7287 0.3839 -2.7756 C 0 0 0 0 0 -3.3959 0.5745 -0.1104 N 0 0 0 0 0 -3.2393 -0.4247 0.9496 C 0 0 0 0 0 -4.6178 -0.9446 1.3920 C 0 0 0 0 0 -4.6275 -2.4612 1.1110 C 0 0 0 0 0 -3.1298 -2.8564 1.1066 C 0 0 0 0 0 -2.4584 -1.6430 0.4167 C 0 0 0 0 0 3.3485 -0.0249 1.5642 C 0 0 0 0 0 4.2890 0.5939 2.2899 O 0 0 0 0 0 4.2578 1.7930 2.1367 N 0 0 0 0 0 3.3206 2.1532 1.3116 C 0 0 0 0 0 2.9891 3.5580 0.8778 C 0 0 0 0 0 3.0855 -1.5077 1.4994 C 0 0 0 0 0 3.8860 -2.0998 0.4245 N 0 0 0 0 0 3.8131 -3.4227 0.1808 C 0 0 0 0 0 3.0849 -4.1238 0.8507 O 0 0 0 0 0 4.6364 -4.0320 -0.9246 C 0 0 0 0 0 0.1426 1.8458 1.2079 H 0 0 0 0 0 2.6869 -0.2653 -1.5161 H 0 0 0 0 0 0.8013 -0.5052 -3.0770 H 0 0 0 0 0 -2.3302 -0.4791 -2.4898 H 0 0 0 0 0 -2.3454 1.2827 -2.7458 H 0 0 0 0 0 -1.3443 0.2405 -3.7846 H 0 0 0 0 0 -4.1148 0.4887 -0.7547 H 0 0 0 0 0 -2.7154 0.0126 1.7995 H 0 0 0 0 0 -4.7624 -0.7608 2.4566 H 0 0 0 0 0 -5.4044 -0.4544 0.8178 H 0 0 0 0 0 -5.1596 -2.9924 1.9012 H 0 0 0 0 0 -5.0811 -2.6680 0.1417 H 0 0 0 0 0 -2.7586 -2.9753 2.1253 H 0 0 0 0 0 -2.9719 -3.7686 0.5310 H 0 0 0 0 0 -2.5601 -1.7171 -0.6668 H 0 0 0 0 0 -1.4076 -1.5771 0.6980 H 0 0 0 0 0 2.2474 3.9818 1.5545 H 0 0 0 0 0 3.8920 4.1684 0.9006 H 0 0 0 0 0 2.5885 3.5409 -0.1355 H 0 0 0 0 0 3.3580 -1.9667 2.4504 H 0 0 0 0 0 2.0274 -1.6810 1.3027 H 0 0 0 0 0 4.4691 -1.5390 -0.1103 H 0 0 0 0 0 5.2237 -3.2527 -1.4116 H 0 0 0 0 0 5.3066 -4.7841 -0.5069 H 0 0 0 0 0 3.9761 -4.4984 -1.6556 H 0 0 0 0 0 26 25 2 0 0 0 27 25 1 0 0 0 25 24 1 0 0 0 24 23 1 0 0 0 23 18 1 0 0 0 19 18 1 0 0 0 19 20 1 0 0 0 18 7 2 0 0 0 20 21 2 0 0 0 7 21 1 0 0 0 7 2 1 0 0 0 21 22 1 0 0 0 2 3 2 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 17 16 1 0 0 0 17 13 1 0 0 0 1 6 2 0 0 0 16 15 1 0 0 0 4 5 2 0 0 0 13 14 1 0 0 0 13 12 1 0 0 0 14 15 1 0 0 0 6 5 1 0 0 0 6 8 1 0 0 0 5 11 1 0 0 0 12 8 1 0 0 0 10 8 2 0 0 0 8 9 2 0 0 0 1 28 1 0 0 0 3 29 1 0 0 0 4 30 1 0 0 0 11 31 1 0 0 0 11 32 1 0 0 0 11 33 1 0 0 0 12 34 1 0 0 0 13 35 1 0 0 0 14 36 1 0 0 0 14 37 1 0 0 0 15 38 1 0 0 0 15 39 1 0 0 0 16 40 1 0 0 0 16 41 1 0 0 0 17 42 1 0 0 0 17 43 1 0 0 0 22 44 1 0 0 0 22 45 1 0 0 0 22 46 1 0 0 0 23 47 1 0 0 0 23 48 1 0 0 0 24 49 1 0 0 0 27 50 1 0 0 0 27 51 1 0 0 0 27 52 1 0 0 0 M END $$$$