FDR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 24 26 0 0 0 0 0 0 0 0999 V2000 -4.5790 0.1535 0.0352 C 0 0 0 0 0 -0.8083 -2.6512 -0.0966 O 0 0 0 0 0 3.4599 -0.6035 0.2898 C 0 0 0 0 0 3.1010 0.8359 -0.1284 C 0 0 0 0 0 2.1987 -1.3762 -0.1436 C 0 0 0 0 0 -2.3099 0.9970 -0.0031 N 0 0 0 0 0 -2.5922 -1.3102 -0.0334 N 0 0 0 0 0 0.2990 2.0985 -0.0455 S 0 0 0 0 0 -3.0864 -0.0458 -0.0030 C 0 0 0 0 0 1.5758 0.8839 -0.0936 C 0 0 0 0 0 1.0716 -0.3449 -0.1020 C 0 0 0 0 0 -1.2603 -1.5197 -0.0677 C 0 0 0 0 0 -0.9633 0.8759 -0.0371 C 0 0 0 0 0 -0.3911 -0.3850 -0.0704 C 0 0 0 0 0 -4.8029 1.2206 0.0590 H 0 0 0 0 0 -5.0284 -0.2918 -0.8521 H 0 0 0 0 0 -4.9865 -0.3222 0.9278 H 0 0 0 0 0 4.3395 -0.9586 -0.2470 H 0 0 0 0 0 3.6086 -0.6713 1.3676 H 0 0 0 0 0 3.5189 1.5520 0.5796 H 0 0 0 0 0 3.4656 1.0414 -1.1348 H 0 0 0 0 0 2.3206 -1.7647 -1.1546 H 0 0 0 0 0 1.9950 -2.1907 0.5522 H 0 0 0 0 0 -3.1998 -2.0660 -0.0315 H 0 0 0 0 0 1 9 1 0 0 0 1 15 1 0 0 0 1 16 1 0 0 0 1 17 1 0 0 0 12 2 2 0 0 0 5 3 1 0 0 0 4 3 1 0 0 0 3 18 1 0 0 0 3 19 1 0 0 0 10 4 1 0 0 0 4 20 1 0 0 0 4 21 1 0 0 0 11 5 1 0 0 0 5 22 1 0 0 0 5 23 1 0 0 0 9 6 2 0 0 0 6 13 1 0 0 0 9 7 1 0 0 0 7 12 1 0 0 0 7 24 1 0 0 0 13 8 1 0 0 0 8 10 1 0 0 0 11 10 2 0 0 0 14 11 1 0 0 0 12 14 1 0 0 0 13 14 2 0 0 0 M END $$$$