CLS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 44 0 0 0 0 0 0 0 0999 V2000 0.4351 1.1892 -0.6155 S 0 0 0 0 0 2.2115 0.9219 -0.5169 C 0 0 0 0 0 2.5710 -0.4100 0.0517 C 0 0 0 0 0 3.9417 -0.5212 0.6664 C 0 0 0 0 0 4.6643 0.7230 0.4685 O 0 0 0 0 0 5.9474 0.8216 0.8476 C 0 0 0 0 0 6.5293 -0.1498 1.2699 O 0 0 0 0 0 6.6643 2.1443 0.7456 C 0 0 0 0 0 1.8256 -1.5067 0.0830 C 0 0 0 0 0 2.3610 -2.7568 0.6515 C 0 0 0 0 0 3.5669 -2.7604 1.2541 O 0 0 0 0 0 1.7160 -3.7841 0.5773 O 0 0 0 0 0 0.5225 -1.4640 -0.4312 N 0 0 0 0 0 -0.0596 -0.4175 -1.3140 C 0 0 0 0 0 -1.4466 -0.9085 -0.9391 C 0 0 0 0 0 -0.6588 -2.0624 -0.3647 C 0 0 0 0 0 -0.9931 -3.1612 0.0246 O 0 0 0 0 0 -2.1305 -0.0845 0.0605 N 0 0 0 0 0 -3.4752 0.0041 0.0550 C 0 0 0 0 0 -4.1190 -0.5996 -0.7768 O 0 0 0 0 0 -4.1790 0.8510 1.0823 C 0 0 0 0 0 -5.6677 0.7786 0.8597 C 0 0 0 0 0 -6.5668 -0.0943 1.3751 C 0 0 0 0 0 -7.8992 0.0327 1.0300 C 0 0 0 0 0 -8.2653 1.0209 0.1775 C 0 0 0 0 0 -6.7039 1.8174 -0.1574 S 0 0 0 0 0 2.6521 1.7064 0.0978 H 0 0 0 0 0 2.6323 0.9843 -1.5197 H 0 0 0 0 0 4.4878 -1.3372 0.1948 H 0 0 0 0 0 3.8458 -0.7177 1.7341 H 0 0 0 0 0 7.6599 2.0516 1.1787 H 0 0 0 0 0 6.7477 2.4321 -0.3010 H 0 0 0 0 0 6.1014 2.9041 1.2881 H 0 0 0 0 0 3.9502 -3.5928 1.5622 H 0 0 0 0 0 0.1857 -0.5273 -2.3711 H 0 0 0 0 0 -2.0769 -1.1715 -1.7881 H 0 0 0 0 0 -1.6155 0.3978 0.7250 H 0 0 0 0 0 -3.9427 0.4827 2.0804 H 0 0 0 0 0 -3.8472 1.8849 0.9889 H 0 0 0 0 0 -6.2479 -0.8740 2.0510 H 0 0 0 0 0 -8.6366 -0.6471 1.4294 H 0 0 0 0 0 -9.2482 1.2643 -0.1982 H 0 0 0 0 0 1 2 1 0 0 0 1 14 1 0 0 0 2 3 1 0 0 0 2 27 1 0 0 0 2 28 1 0 0 0 3 4 1 0 0 0 3 9 2 0 0 0 4 5 1 0 0 0 4 29 1 0 0 0 4 30 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 8 31 1 0 0 0 8 32 1 0 0 0 8 33 1 0 0 0 9 10 1 0 0 0 9 13 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 11 34 1 0 0 0 13 14 1 0 0 0 13 16 1 0 0 0 14 15 1 0 0 0 14 35 1 0 0 0 15 16 1 0 0 0 15 18 1 0 0 0 15 36 1 0 0 0 16 17 2 0 0 0 18 19 1 0 0 0 18 37 1 0 0 0 19 20 2 0 0 0 19 21 1 0 0 0 21 22 1 0 0 0 21 38 1 0 0 0 21 39 1 0 0 0 22 23 2 0 0 0 22 26 1 0 0 0 23 24 1 0 0 0 23 40 1 0 0 0 24 25 2 0 0 0 24 41 1 0 0 0 25 26 1 0 0 0 25 42 1 0 0 0 M END $$$$