CWV Converted by convert_cif2sdf.py 2024/03/29 11:09:15 33 35 0 0 0 0 0 0 0 0999 V2000 -4.6340 -1.3348 0.0035 B 0 0 0 0 0 4.2774 -0.9005 0.0040 C 0 0 0 0 0 4.8331 1.3536 0.0027 C 0 0 0 0 0 3.5338 1.7568 0.0045 C 0 0 0 0 0 2.5185 0.7794 0.0001 C 0 0 0 0 0 1.1609 1.1200 0.0020 C 0 0 0 0 0 0.2110 0.1145 -0.0024 C 0 0 0 0 0 -1.2311 0.4643 -0.0016 C 0 0 0 0 0 -1.6254 1.8020 -0.0023 C 0 0 0 0 0 -2.9674 2.1293 -0.0014 C 0 0 0 0 0 -3.9259 1.1354 0.0001 C 0 0 0 0 0 -3.5435 -0.2058 0.0009 C 0 0 0 0 0 -2.1921 -0.5407 -0.0060 C 0 0 0 0 0 0.5997 -1.2345 -0.0077 C 0 0 0 0 0 1.9136 -1.5830 -0.0036 C 0 0 0 0 0 2.9000 -0.5859 -0.0002 C 0 0 0 0 0 4.6880 -2.2225 0.0027 N 0 0 0 0 0 5.1709 0.0704 0.0024 N 0 0 0 0 0 -4.2436 -2.6996 0.0102 O 0 0 0 0 0 -6.0119 -0.9901 0.0044 O 0 0 0 0 0 5.6145 2.1003 0.0023 H 0 0 0 0 0 3.2855 2.8078 0.0050 H 0 0 0 0 0 0.8582 2.1575 0.0064 H 0 0 0 0 0 -0.8807 2.5841 -0.0027 H 0 0 0 0 0 -3.2681 3.1669 -0.0020 H 0 0 0 0 0 -4.9736 1.3968 0.0010 H 0 0 0 0 0 -1.8914 -1.5783 -0.0104 H 0 0 0 0 0 -0.1565 -2.0061 -0.0113 H 0 0 0 0 0 2.1975 -2.6244 -0.0080 H 0 0 0 0 0 4.0302 -2.9347 -0.0009 H 0 0 0 0 0 5.6345 -2.4364 0.0058 H 0 0 0 0 0 -4.9845 -3.3204 0.0146 H 0 0 0 0 0 -6.1796 -0.0376 -0.0011 H 0 0 0 0 0 3 18 2 0 0 0 3 4 1 0 0 0 18 2 1 0 0 0 4 5 2 0 0 0 2 17 1 0 0 0 2 16 2 0 0 0 5 16 1 0 0 0 5 6 1 0 0 0 16 15 1 0 0 0 6 7 2 0 0 0 15 14 2 0 0 0 7 14 1 0 0 0 7 8 1 0 0 0 9 10 2 0 0 0 9 8 1 0 0 0 10 11 1 0 0 0 8 13 2 0 0 0 11 12 2 0 0 0 13 12 1 0 0 0 12 1 1 0 0 0 1 20 1 0 0 0 1 19 1 0 0 0 3 21 1 0 0 0 4 22 1 0 0 0 6 23 1 0 0 0 9 24 1 0 0 0 10 25 1 0 0 0 11 26 1 0 0 0 13 27 1 0 0 0 14 28 1 0 0 0 15 29 1 0 0 0 17 30 1 0 0 0 17 31 1 0 0 0 19 32 1 0 0 0 20 33 1 0 0 0 M END $$$$