JL1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 29 0 0 0 0 0 0 0 0999 V2000 -3.6490 2.5891 -0.0610 C 0 0 0 0 0 -4.4684 -1.0688 0.0116 C 0 0 0 0 0 2.2308 -0.0626 -1.2089 C 0 0 0 0 0 4.2343 0.7211 0.0697 C 0 0 0 0 0 2.8182 0.2093 0.0134 C 0 0 0 0 0 2.1078 0.0141 1.1843 C 0 0 0 0 0 0.8100 -0.4540 1.1369 C 0 0 0 0 0 0.2168 -0.7292 -0.0894 C 0 0 0 0 0 -1.4392 -1.3254 -0.1554 S 0 0 0 0 0 -2.3176 0.2014 -0.1130 C 0 0 0 0 0 -1.6510 1.3463 -0.1627 N 0 0 0 0 0 -2.2689 2.5100 -0.1347 C 0 0 0 0 0 -4.3970 1.4259 -0.0112 C 0 0 0 0 0 -3.7215 0.1994 -0.0382 C 0 0 0 0 0 -3.8716 -2.1263 -0.0114 O 0 0 0 0 0 -5.8148 -1.0555 0.0833 O 0 0 0 0 0 0.9331 -0.5308 -1.2643 C 0 0 0 0 0 -4.1380 3.5517 -0.0382 H 0 0 0 0 0 2.7859 0.0954 -2.1216 H 0 0 0 0 0 4.2297 1.8098 0.0338 H 0 0 0 0 0 4.7038 0.3901 0.9960 H 0 0 0 0 0 4.7949 0.3319 -0.7811 H 0 0 0 0 0 2.5699 0.2292 2.1367 H 0 0 0 0 0 0.2568 -0.6069 2.0516 H 0 0 0 0 0 -1.6871 3.4195 -0.1694 H 0 0 0 0 0 -5.4742 1.4638 0.0462 H 0 0 0 0 0 -6.2606 -1.9126 0.1137 H 0 0 0 0 0 0.4748 -0.7437 -2.2187 H 0 0 0 0 0 3 17 2 0 0 0 3 5 1 0 0 0 17 8 1 0 0 0 15 2 2 0 0 0 16 2 1 0 0 0 2 14 1 0 0 0 14 13 2 0 0 0 14 10 1 0 0 0 5 4 1 0 0 0 5 6 2 0 0 0 9 8 1 0 0 0 9 10 1 0 0 0 8 7 2 0 0 0 13 1 1 0 0 0 10 11 2 0 0 0 1 12 2 0 0 0 11 12 1 0 0 0 7 6 1 0 0 0 1 18 1 0 0 0 3 19 1 0 0 0 4 20 1 0 0 0 4 21 1 0 0 0 4 22 1 0 0 0 6 23 1 0 0 0 7 24 1 0 0 0 12 25 1 0 0 0 13 26 1 0 0 0 16 27 1 0 0 0 17 28 1 0 0 0 M END $$$$