94W Converted by convert_cif2sdf.py 2024/03/29 11:09:15 20 21 0 0 0 0 0 0 0 0999 V2000 -2.0933 -0.8570 0.0010 C 0 0 0 0 0 -3.3541 -1.3665 -0.0001 O 0 0 0 0 0 -4.4327 -0.4282 0.0011 C 0 0 0 0 0 -1.0040 -1.7065 -0.0002 C 0 0 0 0 0 0.2889 -1.1875 -0.0001 C 0 0 0 0 0 0.4957 0.1949 0.0012 C 0 0 0 0 0 -0.6296 1.0450 0.0014 C 0 0 0 0 0 -1.8976 0.5206 -0.0037 C 0 0 0 0 0 1.8042 0.5285 0.0013 N 0 0 0 0 0 2.6685 -0.4258 0.0000 C 0 0 0 0 0 4.0381 -0.2493 0.0001 N 0 0 0 0 0 1.8583 -1.9859 -0.0003 S 0 0 0 0 0 -1.1540 -2.7758 -0.0015 H 0 0 0 0 0 -2.7514 1.1827 -0.0075 H 0 0 0 0 0 -4.3691 0.1965 0.8923 H 0 0 0 0 0 -4.3700 0.1989 -0.8877 H 0 0 0 0 0 -5.3809 -0.9656 0.0010 H 0 0 0 0 0 -0.4926 2.1157 0.0027 H 0 0 0 0 0 4.4118 0.6459 0.0003 H 0 0 0 0 0 4.6268 -1.0204 -0.0001 H 0 0 0 0 0 1 2 1 0 0 0 1 4 1 0 0 0 1 8 2 0 0 0 2 3 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 5 12 1 0 0 0 6 7 2 0 0 0 6 9 1 0 0 0 7 8 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 4 13 1 0 0 0 8 14 1 0 0 0 3 15 1 0 0 0 3 16 1 0 0 0 3 17 1 0 0 0 7 18 1 0 0 0 11 19 1 0 0 0 11 20 1 0 0 0 M END $$$$