JW3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0740 -2.0602 0.0263 O 0 0 0 0 0 -0.2365 -0.8556 0.0104 C 0 0 0 0 0 0.9332 0.0473 -0.0253 C 0 0 0 0 0 2.2232 -0.4799 -0.0423 C 0 0 0 0 0 3.3182 0.3774 -0.0768 C 0 0 0 0 0 4.7746 -0.2084 -0.0956 B 0 0 0 0 0 4.9748 -1.6147 -0.0769 O 0 0 0 0 0 5.8925 0.6671 -0.1309 O 0 0 0 0 0 3.1202 1.7578 -0.0953 C 0 0 0 0 0 1.8403 2.2760 -0.0794 C 0 0 0 0 0 0.7481 1.4326 -0.0501 C 0 0 0 0 0 -1.4835 -0.3442 0.0207 N 0 0 0 0 0 -2.6423 -1.2391 0.0511 C 0 0 0 0 0 -3.9088 -0.4219 0.0566 C 0 0 0 0 0 -4.5524 0.0207 1.1490 O 0 0 0 0 0 -5.6411 0.7142 0.7762 C 0 0 0 0 0 -5.7016 0.7207 -0.5670 C 0 0 0 0 0 -4.5819 -0.0068 -1.0317 C 0 0 0 0 0 2.3717 -1.5496 -0.0270 H 0 0 0 0 0 5.9047 -1.8796 -0.0906 H 0 0 0 0 0 6.7469 0.2146 -0.1404 H 0 0 0 0 0 3.9708 2.4232 -0.1219 H 0 0 0 0 0 1.6928 3.3457 -0.0937 H 0 0 0 0 0 -0.2501 1.8429 -0.0419 H 0 0 0 0 0 -2.6287 -1.8819 -0.8298 H 0 0 0 0 0 -6.3473 1.1866 1.4424 H 0 0 0 0 0 -6.4577 1.1947 -1.1752 H 0 0 0 0 0 -4.3210 -0.1995 -2.0621 H 0 0 0 0 0 -1.6131 0.6167 0.0084 H 0 0 0 0 0 -2.6030 -1.8548 0.9499 H 0 0 0 0 0 17 16 2 0 0 0 17 18 1 0 0 0 16 15 1 0 0 0 18 14 2 0 0 0 15 14 1 0 0 0 14 13 1 0 0 0 13 12 1 0 0 0 12 2 1 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 11 10 2 0 0 0 8 6 1 0 0 0 5 6 1 0 0 0 5 9 2 0 0 0 10 9 1 0 0 0 6 7 1 0 0 0 4 19 1 0 0 0 7 20 1 0 0 0 8 21 1 0 0 0 9 22 1 0 0 0 10 23 1 0 0 0 11 24 1 0 0 0 13 25 1 0 0 0 16 26 1 0 0 0 17 27 1 0 0 0 18 28 1 0 0 0 12 29 1 0 0 0 13 30 1 0 0 0 M END $$$$