HCA Converted by convert_cif2sdf.py 2024/03/29 11:09:15 24 23 0 0 0 0 0 0 0 0999 V2000 3.1730 0.2322 0.0253 C 0 0 0 0 0 1.8647 0.6390 0.6554 C 0 0 0 0 0 0.7069 0.0355 -0.1414 C 0 0 0 0 0 -0.6206 0.4481 0.4971 C 0 0 0 0 0 -1.7792 -0.1534 -0.2989 C 0 0 0 0 0 -3.0867 0.2517 0.3295 C 0 0 0 0 0 0.8212 -1.4657 -0.1358 C 0 0 0 0 0 3.1774 -0.4672 -0.9582 O 0 0 0 0 0 4.3319 0.6474 0.5593 O 0 0 0 0 0 -3.0911 0.9518 1.3142 O 0 0 0 0 0 -4.2455 -0.1628 -0.2033 O 0 0 0 0 0 0.9330 -2.0669 -1.1771 O 0 0 0 0 0 0.7980 -2.1366 1.0258 O 0 0 0 0 0 0.7552 0.5128 -1.4867 O 0 0 0 0 0 1.7826 1.7256 0.6510 H 0 0 0 0 0 1.8276 0.2747 1.6824 H 0 0 0 0 0 -0.7026 1.5353 0.4939 H 0 0 0 0 0 -0.6577 0.0848 1.5244 H 0 0 0 0 0 -1.6961 -1.2401 -0.2946 H 0 0 0 0 0 -1.7412 0.2096 -1.3254 H 0 0 0 0 0 5.1712 0.3868 0.1560 H 0 0 0 0 0 -5.0848 0.0974 0.2010 H 0 0 0 0 0 0.8719 -3.1012 1.0299 H 0 0 0 0 0 0.6790 1.4753 -1.4457 H 0 0 0 0 0 1 2 1 0 0 0 1 8 2 0 0 0 1 9 1 0 0 0 2 3 1 0 0 0 2 15 1 0 0 0 2 16 1 0 0 0 3 4 1 0 0 0 3 7 1 0 0 0 3 14 1 0 0 0 4 5 1 0 0 0 4 17 1 0 0 0 4 18 1 0 0 0 5 6 1 0 0 0 5 19 1 0 0 0 5 20 1 0 0 0 6 10 2 0 0 0 6 11 1 0 0 0 7 12 2 0 0 0 7 13 1 0 0 0 9 21 1 0 0 0 11 22 1 0 0 0 13 23 1 0 0 0 14 24 1 0 0 0 M END $$$$