CKA Converted by convert_cif2sdf.py 2024/03/29 11:09:15 21 22 0 0 0 0 0 0 0 0999 V2000 1.7974 1.1364 -0.0023 C 0 0 0 0 0 2.8311 0.2448 -0.0021 C 0 0 0 0 0 2.5845 -1.1232 -0.0003 C 0 0 0 0 0 1.2929 -1.6057 0.0014 C 0 0 0 0 0 0.2237 -0.7139 0.0023 C 0 0 0 0 0 -2.1335 -0.3012 0.0048 C 0 0 0 0 0 -3.5075 -0.8546 0.0005 C 0 0 0 0 0 -1.0755 -1.1646 0.0040 N 0 0 0 0 0 0.4813 0.6704 0.0055 C 0 0 0 0 0 -1.9687 1.0455 0.0020 C 0 0 0 0 0 -0.6605 1.6002 0.0054 C 0 0 0 0 0 -0.4888 2.8067 0.0084 O 0 0 0 0 0 3.9164 -2.2365 -0.0014 CL 0 0 0 0 0 -3.6784 -2.0571 0.0025 O 0 0 0 0 0 -4.5682 -0.0242 -0.0047 O 0 0 0 0 0 1.9964 2.1980 -0.0033 H 0 0 0 0 0 3.8496 0.6056 -0.0029 H 0 0 0 0 0 1.1116 -2.6704 0.0025 H 0 0 0 0 0 -2.8307 1.6949 -0.0013 H 0 0 0 0 0 -5.4445 -0.4312 -0.0070 H 0 0 0 0 0 -1.2438 -2.1199 0.0052 H 0 0 0 0 0 13 3 1 0 0 0 4 3 2 0 0 0 4 5 1 0 0 0 3 2 1 0 0 0 14 7 2 0 0 0 8 5 1 0 0 0 8 6 1 0 0 0 5 9 2 0 0 0 2 1 2 0 0 0 7 6 1 0 0 0 7 15 1 0 0 0 6 10 2 0 0 0 9 1 1 0 0 0 9 11 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 1 16 1 0 0 0 2 17 1 0 0 0 4 18 1 0 0 0 10 19 1 0 0 0 15 20 1 0 0 0 8 21 1 0 0 0 M END $$$$