99K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 28 0 0 0 0 0 0 0 0999 V2000 -3.8663 -1.8596 0.4927 O 0 5 0 0 0 -2.1751 -2.2142 -0.7172 O 0 0 0 0 0 1.1334 -0.1491 0.0435 C 0 0 0 0 0 2.6802 1.5622 -0.0393 C 0 0 0 0 0 3.7311 0.6669 -0.0100 C 0 0 0 0 0 3.4639 -0.6942 0.0440 C 0 0 0 0 0 2.1425 -1.1069 0.0763 C 0 0 0 0 0 5.1539 1.1625 -0.0359 C 0 0 0 0 0 -2.8806 -1.4450 -0.0902 N 0 3 0 0 0 -2.5405 -0.0053 -0.0368 C 0 0 0 0 0 -3.5384 0.9520 -0.0626 C 0 0 0 0 0 -3.1730 2.2913 -0.0045 C 0 0 0 0 0 -1.8363 2.6250 0.0757 C 0 0 0 0 0 -0.9062 1.6904 0.0974 N 0 0 0 0 0 -1.2132 0.4028 0.0440 C 0 0 0 0 0 -0.1988 -0.5492 0.0767 N 0 0 0 0 0 1.4308 1.1405 -0.0121 N 0 0 0 0 0 1.7499 -2.7964 0.1575 CL 0 0 0 0 0 5.8168 0.7387 1.1200 F 0 0 0 0 0 5.8062 0.6494 -1.1625 F 0 0 0 0 0 5.1594 2.5606 -0.0908 F 0 0 0 0 0 2.8837 2.6216 -0.0813 H 0 0 0 0 0 4.2680 -1.4142 0.0676 H 0 0 0 0 0 -4.5778 0.6652 -0.1255 H 0 0 0 0 0 -3.9279 3.0637 -0.0225 H 0 0 0 0 0 -1.5481 3.6655 0.1197 H 0 0 0 0 0 -0.4217 -1.4921 0.1220 H 0 0 0 0 0 12 13 2 0 0 0 12 11 1 0 0 0 13 14 1 0 0 0 11 10 2 0 0 0 14 15 2 0 0 0 10 15 1 0 0 0 10 9 1 0 0 0 15 16 1 0 0 0 17 4 2 0 0 0 17 3 1 0 0 0 2 9 2 0 0 0 4 5 1 0 0 0 9 1 1 0 0 0 16 3 1 0 0 0 20 8 1 0 0 0 3 7 2 0 0 0 19 8 1 0 0 0 5 8 1 0 0 0 5 6 2 0 0 0 8 21 1 0 0 0 7 6 1 0 0 0 7 18 1 0 0 0 4 22 1 0 0 0 6 23 1 0 0 0 11 24 1 0 0 0 12 25 1 0 0 0 13 26 1 0 0 0 16 27 1 0 0 0 M END $$$$