JWS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 29 0 0 0 0 0 0 0 0999 V2000 4.1783 0.6385 -0.0496 N 0 0 0 0 0 3.7777 -0.6280 -0.0848 C 0 0 0 0 0 4.7108 -1.6455 -0.1142 N 0 0 0 0 0 2.4805 -0.9158 -0.0906 N 0 0 0 0 0 1.5818 0.0650 -0.0611 C 0 0 0 0 0 0.1359 -0.2552 -0.0675 C 0 0 0 0 0 -0.2890 -1.5870 -0.1042 C 0 0 0 0 0 0.6239 -2.5916 -0.1343 O 0 0 0 0 0 -1.6442 -1.8793 -0.1100 C 0 0 0 0 0 -2.5733 -0.8588 -0.0806 C 0 0 0 0 0 -2.1583 0.4659 -0.0440 C 0 0 0 0 0 -3.0792 1.4654 -0.0150 O 0 0 0 0 0 -0.8082 0.7710 -0.0318 C 0 0 0 0 0 1.9833 1.3325 -0.0259 N 0 0 0 0 0 3.2806 1.6193 -0.0201 C 0 0 0 0 0 3.6976 2.9340 0.0173 N 0 0 0 0 0 -4.4555 1.0799 -0.0230 C 0 0 0 0 0 5.6578 -1.4362 -0.1097 H 0 0 0 0 0 4.4189 -2.5700 -0.1405 H 0 0 0 0 0 0.8902 -2.9077 0.7411 H 0 0 0 0 0 -1.9741 -2.9072 -0.1387 H 0 0 0 0 0 -3.6280 -1.0912 -0.0854 H 0 0 0 0 0 -0.4864 1.8017 0.0020 H 0 0 0 0 0 4.6446 3.1432 0.0218 H 0 0 0 0 0 3.0426 3.6502 0.0382 H 0 0 0 0 0 -4.6680 0.5120 -0.9293 H 0 0 0 0 0 -4.6653 0.4631 0.8500 H 0 0 0 0 0 -5.0823 1.9714 0.0030 H 0 0 0 0 0 1 2 2 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 5 14 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 11 13 2 0 0 0 12 17 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 3 18 1 0 0 0 3 19 1 0 0 0 8 20 1 0 0 0 9 21 1 0 0 0 10 22 1 0 0 0 13 23 1 0 0 0 16 24 1 0 0 0 16 25 1 0 0 0 17 26 1 0 0 0 17 27 1 0 0 0 17 28 1 0 0 0 M END $$$$