C8S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 53 57 0 0 0 0 0 0 0 0999 V2000 -2.0868 -0.4993 1.5406 C 0 0 0 0 0 -3.2755 -0.6236 0.5867 C 0 0 0 0 0 -0.9165 0.1666 0.8138 C 0 0 0 0 0 -2.8745 -1.4739 -0.6204 C 0 0 0 0 0 -0.5155 -0.6837 -0.3933 C 0 0 0 0 0 -1.7042 -0.8080 -1.3472 C 0 0 0 0 0 -1.3370 1.5594 0.3392 C 0 0 0 0 0 -0.0651 1.2232 2.8526 N 0 0 0 0 0 -2.5268 1.4351 -0.6147 C 0 0 0 0 0 -3.6960 0.7682 0.1121 C 0 0 0 0 0 -2.1257 0.5848 -1.8218 C 0 0 0 0 0 0.2732 0.2909 1.7688 C 0 0 0 0 0 -4.3681 -1.2459 1.2654 O 0 0 0 0 0 1.4700 0.8103 1.0147 C 0 0 0 0 0 3.7933 0.3555 0.1131 C 0 0 0 0 0 2.5031 -0.0110 0.7419 N 0 0 0 0 0 4.0866 -0.8456 -0.8208 C 0 0 0 0 0 2.5808 -1.4604 1.0089 C 0 0 0 0 0 3.5856 -2.0531 0.0032 C 0 0 0 0 0 2.1041 -2.4214 -0.0827 C 0 0 0 0 0 1.5041 1.9677 0.6528 O 0 0 0 0 0 -2.9196 2.7354 -1.0582 O 0 0 0 0 0 3.6509 1.6465 -0.6968 C 0 0 0 0 0 3.5389 2.7888 0.2197 N 0 0 0 0 0 -2.3724 0.1064 2.4012 H 0 0 0 0 0 -1.7867 -1.4915 1.8792 H 0 0 0 0 0 -2.5744 -2.4662 -0.2828 H 0 0 0 0 0 -3.7213 -1.5624 -1.3006 H 0 0 0 0 0 0.3188 -0.2087 -0.9112 H 0 0 0 0 0 -0.2154 -1.6759 -0.0547 H 0 0 0 0 0 -1.4187 -1.4137 -2.2068 H 0 0 0 0 0 -1.6226 2.1651 1.1988 H 0 0 0 0 0 -0.5037 2.0334 -0.1787 H 0 0 0 0 0 -0.2837 2.1380 2.4880 H 0 0 0 0 0 -0.8242 0.8655 3.4128 H 0 0 0 0 0 -4.5439 0.6808 -0.5681 H 0 0 0 0 0 -3.9826 1.3749 0.9717 H 0 0 0 0 0 -1.2914 1.0588 -2.3397 H 0 0 0 0 0 -2.9726 0.4964 -2.5020 H 0 0 0 0 0 0.5050 -0.6872 2.1887 H 0 0 0 0 0 -5.1589 -1.3576 0.7193 H 0 0 0 0 0 4.5750 0.4585 0.8646 H 0 0 0 0 0 3.5284 -0.7553 -1.7529 H 0 0 0 0 0 5.1557 -0.9291 -1.0168 H 0 0 0 0 0 2.5695 -1.7787 2.0511 H 0 0 0 0 0 4.3200 -2.8019 0.3001 H 0 0 0 0 0 1.8176 -3.4274 0.2238 H 0 0 0 0 0 1.5279 -2.0003 -0.9075 H 0 0 0 0 0 -3.6706 2.7326 -1.6682 H 0 0 0 0 0 4.5274 1.7753 -1.3319 H 0 0 0 0 0 2.7571 1.5901 -1.3172 H 0 0 0 0 0 4.3931 2.9213 0.7396 H 0 0 0 0 0 3.2854 3.6288 -0.2788 H 0 0 0 0 0 8 12 1 0 0 0 4 6 1 0 0 0 4 2 1 0 0 0 13 2 1 0 0 0 5 6 1 0 0 0 5 3 1 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 6 11 1 0 0 0 12 3 1 0 0 0 12 14 1 0 0 0 2 10 1 0 0 0 21 14 2 0 0 0 3 7 1 0 0 0 14 16 1 0 0 0 11 9 1 0 0 0 10 9 1 0 0 0 7 9 1 0 0 0 16 15 1 0 0 0 16 18 1 0 0 0 9 22 1 0 0 0 15 17 1 0 0 0 15 23 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 24 23 1 0 0 0 17 19 1 0 0 0 19 20 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 4 27 1 0 0 0 4 28 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 6 31 1 0 0 0 7 32 1 0 0 0 7 33 1 0 0 0 8 34 1 0 0 0 8 35 1 0 0 0 10 36 1 0 0 0 10 37 1 0 0 0 11 38 1 0 0 0 11 39 1 0 0 0 12 40 1 0 0 0 13 41 1 0 0 0 15 42 1 0 0 0 17 43 1 0 0 0 17 44 1 0 0 0 18 45 1 0 0 0 19 46 1 0 0 0 20 47 1 0 0 0 20 48 1 0 0 0 22 49 1 0 0 0 23 50 1 0 0 0 23 51 1 0 0 0 24 52 1 0 0 0 24 53 1 0 0 0 M END $$$$