JT5 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 43 0 0 0 0 0 0 0 0999 V2000 -2.0536 -1.9063 -0.3630 C 0 0 0 0 0 -3.0903 -1.1187 0.3967 C 0 0 0 0 0 -3.1440 1.1356 -0.7663 C 0 0 0 0 0 -2.1700 -3.2437 -0.4720 N 0 0 0 0 0 -1.1967 -3.9840 -1.1866 O 0 0 0 0 0 -1.1177 -1.3349 -0.8814 O 0 0 0 0 0 -2.7394 0.3038 0.3698 N 0 0 0 0 0 -1.8872 0.9706 1.6228 S 0 0 0 0 0 -4.5701 1.6429 -0.5455 C 0 0 0 0 0 -4.5970 2.5114 0.5886 O 0 0 0 0 0 -2.1205 0.1416 2.7527 O 0 0 0 0 0 -0.1759 0.8102 1.2325 C 0 0 0 0 0 -2.1729 2.3619 1.6070 O 0 0 0 0 0 0.4682 1.8131 0.5302 C 0 0 0 0 0 1.8083 1.6927 0.2223 C 0 0 0 0 0 2.5122 0.5578 0.6202 C 0 0 0 0 0 1.8591 -0.4492 1.3269 C 0 0 0 0 0 0.5202 -0.3153 1.6345 C 0 0 0 0 0 3.9520 0.4201 0.2867 C 0 0 0 0 0 4.6050 1.4274 -0.4209 C 0 0 0 0 0 5.9439 1.2944 -0.7283 C 0 0 0 0 0 6.6366 0.1634 -0.3361 C 0 0 0 0 0 5.9934 -0.8405 0.3659 C 0 0 0 0 0 4.6559 -0.7139 0.6849 C 0 0 0 0 0 -2.9208 -3.7002 -0.0614 H 0 0 0 0 0 -4.0659 -1.2608 -0.0661 H 0 0 0 0 0 -3.1243 -1.4649 1.4295 H 0 0 0 0 0 -2.4661 1.9859 -0.8537 H 0 0 0 0 0 -3.1052 0.5459 -1.6819 H 0 0 0 0 0 -4.9029 2.1869 -1.4293 H 0 0 0 0 0 -5.2331 0.7954 -0.3705 H 0 0 0 0 0 -5.4727 2.8711 0.7882 H 0 0 0 0 0 -0.0794 2.6914 0.2226 H 0 0 0 0 0 2.3097 2.4762 -0.3267 H 0 0 0 0 0 2.3999 -1.3304 1.6381 H 0 0 0 0 0 0.0128 -1.0952 2.1826 H 0 0 0 0 0 4.0645 2.3113 -0.7273 H 0 0 0 0 0 6.4513 2.0743 -1.2764 H 0 0 0 0 0 7.6845 0.0628 -0.5790 H 0 0 0 0 0 6.5388 -1.7215 0.6687 H 0 0 0 0 0 4.1544 -1.4981 1.2326 H 0 0 0 0 0 -1.3654 -4.9357 -1.2097 H 0 0 0 0 0 39 22 1 0 0 0 38 21 1 0 0 0 22 21 2 0 0 0 22 23 1 0 0 0 21 20 1 0 0 0 40 23 1 0 0 0 23 24 2 0 0 0 20 37 1 0 0 0 20 19 2 0 0 0 24 19 1 0 0 0 24 41 1 0 0 0 19 16 1 0 0 0 35 17 1 0 0 0 16 17 2 0 0 0 16 15 1 0 0 0 34 15 1 0 0 0 17 18 1 0 0 0 15 14 2 0 0 0 18 36 1 0 0 0 18 12 2 0 0 0 14 12 1 0 0 0 14 33 1 0 0 0 5 4 1 0 0 0 6 1 2 0 0 0 12 8 1 0 0 0 4 1 1 0 0 0 4 25 1 0 0 0 1 2 1 0 0 0 27 2 1 0 0 0 30 9 1 0 0 0 2 7 1 0 0 0 2 26 1 0 0 0 8 13 2 0 0 0 8 7 1 0 0 0 8 11 2 0 0 0 31 9 1 0 0 0 7 3 1 0 0 0 9 3 1 0 0 0 9 10 1 0 0 0 32 10 1 0 0 0 3 28 1 0 0 0 3 29 1 0 0 0 5 42 1 0 0 0 M END $$$$