5H Converted by convert_cif2sdf.py 2024/03/01 05:07:52 38 40 0 0 0 0 0 0 0 0999 V2000 -2.9154 -0.8228 0.4756 S 0 0 0 0 0 -4.2363 -0.9609 -0.0292 O 0 0 0 0 0 -2.4542 -1.3257 1.7222 O 0 0 0 0 0 -1.9230 -1.4869 -0.6723 N 0 0 0 0 0 -2.5948 0.9095 0.5097 C 0 0 0 0 0 -1.6282 1.4172 1.3575 C 0 0 0 0 0 -1.3746 2.7761 1.3819 C 0 0 0 0 0 -2.0928 3.6281 0.5646 C 0 0 0 0 0 -3.0635 3.1210 -0.2803 C 0 0 0 0 0 -3.3141 1.7623 -0.3068 C 0 0 0 0 0 1.9903 0.9723 -0.1190 C 0 0 0 0 0 3.4914 1.0016 0.0099 C 0 0 0 0 0 4.1048 0.3832 1.0840 C 0 0 0 0 0 5.4819 0.4042 1.1991 C 0 0 0 0 0 5.6326 1.6735 -0.8268 C 0 0 0 0 0 6.2460 1.0552 0.2474 C 0 0 0 0 0 8.1293 1.0920 0.4098 BR 0 0 0 0 0 -0.5325 -1.3707 -0.5482 N 0 0 0 0 0 0.1321 -2.3309 0.1212 C 0 0 0 0 0 1.5721 -0.2626 -0.9190 C 0 0 0 0 0 0.0611 -0.3221 -1.0954 C 0 0 0 0 0 4.2553 1.6462 -0.9455 C 0 0 0 0 0 1.8375 -1.8047 0.0441 S 0 0 0 0 0 -0.5081 -3.7291 0.8731 S 0 0 0 0 0 -0.5561 0.5322 -1.6946 O 0 0 0 0 0 -2.3047 -1.9568 -1.4300 H 0 0 0 0 0 -1.0667 0.7517 1.9969 H 0 0 0 0 0 -0.6164 3.1717 2.0404 H 0 0 0 0 0 -1.8961 4.6892 0.5845 H 0 0 0 0 0 -3.6251 3.7865 -0.9188 H 0 0 0 0 0 -4.0722 1.3657 -0.9661 H 0 0 0 0 0 1.5417 0.9327 0.8730 H 0 0 0 0 0 1.6525 1.8706 -0.6346 H 0 0 0 0 0 3.5082 -0.1202 1.8302 H 0 0 0 0 0 5.9610 -0.0794 2.0382 H 0 0 0 0 0 6.2280 2.1778 -1.5730 H 0 0 0 0 0 2.0847 -0.3026 -1.8801 H 0 0 0 0 0 3.7753 2.1298 -1.7836 H 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 4 18 1 0 0 0 4 26 1 0 0 0 5 6 1 0 0 0 5 10 2 0 0 0 6 7 2 0 0 0 6 27 1 0 0 0 7 8 1 0 0 0 7 28 1 0 0 0 8 9 2 0 0 0 8 29 1 0 0 0 9 10 1 0 0 0 9 30 1 0 0 0 10 31 1 0 0 0 11 12 1 0 0 0 11 20 1 0 0 0 11 32 1 0 0 0 11 33 1 0 0 0 12 13 1 0 0 0 12 22 2 0 0 0 13 14 2 0 0 0 13 34 1 0 0 0 14 16 1 0 0 0 14 35 1 0 0 0 15 16 2 0 0 0 15 22 1 0 0 0 15 36 1 0 0 0 16 17 1 0 0 0 18 19 1 0 0 0 18 21 1 0 0 0 19 23 1 0 0 0 19 24 2 0 0 0 20 21 1 0 0 0 20 23 1 0 0 0 20 37 1 0 0 0 21 25 2 0 0 0 22 38 1 0 0 0 M END $$$$