JKV Converted by convert_cif2sdf.py 2024/03/29 11:09:15 21 22 0 0 0 0 0 0 0 0999 V2000 4.3859 -0.3245 -0.0033 C 0 0 0 0 0 2.1642 -1.2211 0.0012 C 0 0 0 0 0 -3.2571 -0.7664 0.0004 N 0 0 0 0 0 -2.0226 -0.1232 0.0001 C 0 0 0 0 0 -0.8036 -0.7272 -0.0015 C 0 0 0 0 0 0.1761 0.2837 -0.0006 C 0 0 0 0 0 -0.4362 1.4477 0.0030 N 0 0 0 0 0 -1.8177 1.2194 -0.0025 N 0 0 0 0 0 1.6455 0.0714 -0.0012 C 0 0 0 0 0 2.5089 1.1641 0.0008 C 0 0 0 0 0 3.8738 0.9625 -0.0007 C 0 0 0 0 0 6.1033 -0.5721 -0.0051 CL 0 0 0 0 0 3.5307 -1.4137 -0.0004 C 0 0 0 0 0 1.4990 -2.0716 0.0042 H 0 0 0 0 0 -3.2992 -1.7350 -0.0019 H 0 0 0 0 0 -4.0751 -0.2451 0.0018 H 0 0 0 0 0 -0.6211 -1.7914 -0.0039 H 0 0 0 0 0 -2.5075 1.9018 -0.0051 H 0 0 0 0 0 2.1105 2.1680 0.0023 H 0 0 0 0 0 4.5447 1.8086 0.0013 H 0 0 0 0 0 3.9354 -2.4151 0.0012 H 0 0 0 0 0 3 4 1 0 0 0 8 4 1 0 0 0 8 7 1 0 0 0 4 5 2 0 0 0 7 6 2 0 0 0 5 6 1 0 0 0 6 9 1 0 0 0 9 10 2 0 0 0 9 2 1 0 0 0 10 11 1 0 0 0 2 13 2 0 0 0 11 1 2 0 0 0 13 1 1 0 0 0 1 12 1 0 0 0 2 14 1 0 0 0 3 15 1 0 0 0 3 16 1 0 0 0 5 17 1 0 0 0 8 18 1 0 0 0 10 19 1 0 0 0 11 20 1 0 0 0 13 21 1 0 0 0 M END $$$$