90G Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 28 0 0 0 0 0 0 0 0999 V2000 2.8791 1.5049 -0.0087 O 0 0 0 0 0 3.6414 0.5618 -0.0053 C 0 0 0 0 0 5.1303 0.7964 -0.0003 C 0 0 0 0 0 5.4614 2.5804 0.0001 S 0 0 0 0 0 3.1575 -0.6958 -0.0010 N 0 0 0 0 0 1.7800 -0.9131 0.0000 C 0 0 0 0 0 0.8169 0.0462 -0.0033 C 0 0 0 0 0 1.1589 -2.1215 -0.0016 N 0 0 0 0 0 -0.2238 -1.8987 0.0002 N 0 0 0 0 0 -0.4334 -0.6002 -0.0002 C 0 0 0 0 0 -1.7580 0.0687 -0.0014 C 0 0 0 0 0 -2.9252 -0.6930 0.0007 C 0 0 0 0 0 -1.8392 1.4591 0.0001 C 0 0 0 0 0 -3.0746 2.0767 -0.0001 C 0 0 0 0 0 -4.2307 1.3158 -0.0029 C 0 0 0 0 0 -5.7806 2.0972 -0.0032 CL 0 0 0 0 0 -4.1555 -0.0666 0.0005 C 0 0 0 0 0 5.5662 0.3457 0.8918 H 0 0 0 0 0 5.5723 0.3451 -0.8882 H 0 0 0 0 0 6.8045 2.6382 0.0052 H 0 0 0 0 0 3.7677 -1.4505 0.0013 H 0 0 0 0 0 0.9828 1.1137 -0.0066 H 0 0 0 0 0 1.5963 -2.9875 -0.0043 H 0 0 0 0 0 -2.8671 -1.7711 0.0031 H 0 0 0 0 0 -0.9377 2.0540 0.0020 H 0 0 0 0 0 -3.1376 3.1548 0.0006 H 0 0 0 0 0 -5.0599 -0.6564 0.0026 H 0 0 0 0 0 4 3 1 0 0 0 3 2 1 0 0 0 5 2 1 0 0 0 5 6 1 0 0 0 8 6 1 0 0 0 8 9 1 0 0 0 2 1 2 0 0 0 6 7 2 0 0 0 9 10 2 0 0 0 7 10 1 0 0 0 10 11 1 0 0 0 13 11 2 0 0 0 13 14 1 0 0 0 11 12 1 0 0 0 14 15 2 0 0 0 12 17 2 0 0 0 15 17 1 0 0 0 15 16 1 0 0 0 3 18 1 0 0 0 3 19 1 0 0 0 4 20 1 0 0 0 5 21 1 0 0 0 7 22 1 0 0 0 8 23 1 0 0 0 12 24 1 0 0 0 13 25 1 0 0 0 14 26 1 0 0 0 17 27 1 0 0 0 M END $$$$