J4K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 21 22 0 0 0 0 0 0 0 0999 V2000 -1.4011 1.3893 0.0012 C 0 0 0 0 0 -2.7682 1.1920 0.0012 C 0 0 0 0 0 -3.2829 -0.0923 0.0002 C 0 0 0 0 0 -2.4294 -1.1813 -0.0006 C 0 0 0 0 0 -1.0622 -0.9880 0.0004 C 0 0 0 0 0 -0.5436 0.2984 0.0003 C 0 0 0 0 0 0.8016 0.4912 0.0004 O 0 0 0 0 0 1.6238 -0.6785 -0.0005 C 0 0 0 0 0 3.0754 -0.2714 -0.0005 C 0 0 0 0 0 3.5576 0.9852 -0.0006 N 0 0 0 0 0 4.8448 0.8967 0.0005 N 0 0 0 0 0 5.1765 -0.3465 -0.0004 N 0 0 0 0 0 4.1118 -1.0734 0.0046 N 0 0 0 0 0 -5.0020 -0.3371 0.0002 CL 0 0 0 0 0 -0.9995 2.3921 -0.0018 H 0 0 0 0 0 -3.4356 2.0419 0.0021 H 0 0 0 0 0 -2.8331 -2.1832 -0.0006 H 0 0 0 0 0 -0.3959 -1.8390 0.0005 H 0 0 0 0 0 1.4124 -1.2711 0.8885 H 0 0 0 0 0 1.4124 -1.2702 -0.8905 H 0 0 0 0 0 3.0361 1.8023 -0.0006 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 14 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 13 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 1 15 1 0 0 0 2 16 1 0 0 0 4 17 1 0 0 0 5 18 1 0 0 0 8 19 1 0 0 0 8 20 1 0 0 0 10 21 1 0 0 0 M END $$$$