CE4 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 43 0 0 0 0 0 0 0 0999 V2000 -5.1103 -0.1244 -1.4685 C 0 0 0 0 0 -4.1300 0.1861 -0.6256 C 0 0 0 0 0 -4.3739 1.1641 0.5063 C 0 0 0 0 0 -1.5716 1.0270 0.7721 C 0 0 0 0 0 -0.2240 1.7144 0.5434 C 0 0 0 0 0 2.0112 0.9439 -0.0466 C 0 0 0 0 0 3.0726 -0.0904 -0.0439 C 0 0 0 0 0 5.8480 1.6247 -1.5585 C 0 0 0 0 0 2.8079 -1.4198 0.5473 C 0 0 0 0 0 3.7029 -2.4259 0.4912 C 0 0 0 0 0 1.5516 -2.9065 1.6570 C 0 0 0 0 0 -0.0001 2.7496 1.6158 C 0 0 0 0 0 -2.8016 -0.4197 -0.7782 C 0 0 0 0 0 -2.6934 -1.5755 -1.7083 C 0 0 0 0 0 0.8476 0.7167 0.5960 N 0 0 0 0 0 4.2387 0.1713 -0.5630 N 0 0 0 0 0 0.4479 -3.3891 2.3412 N 0 0 0 0 0 1.6698 -1.7081 1.1791 N 0 0 0 0 0 -1.7315 -0.0507 -0.1912 N 0 0 0 0 0 2.1896 1.9956 -0.6275 O 0 0 0 0 0 4.5354 1.4809 -1.0125 O 0 0 0 0 0 0.9571 2.6633 2.3482 O 0 0 0 0 0 -0.8631 3.7675 1.7565 O 0 0 0 0 0 -3.6930 -2.0499 -2.2059 O 0 0 0 0 0 -1.4857 -2.0959 -1.9967 O 0 0 0 0 0 -2.9090 2.2461 0.5877 S 0 0 0 0 0 3.0108 -3.8275 1.3051 S 0 0 0 0 0 -4.8959 -0.6938 -2.3604 H 0 0 0 0 0 -6.1221 0.1904 -1.2596 H 0 0 0 0 0 -5.2651 1.7572 0.3013 H 0 0 0 0 0 -4.4934 0.6243 1.4460 H 0 0 0 0 0 -1.6006 0.6158 1.7811 H 0 0 0 0 0 -0.2232 2.1977 -0.4332 H 0 0 0 0 0 5.9607 0.9571 -2.4128 H 0 0 0 0 0 5.9970 2.6550 -1.8799 H 0 0 0 0 0 6.5871 1.3706 -0.7990 H 0 0 0 0 0 4.6774 -2.3816 0.0277 H 0 0 0 0 0 0.7211 -0.1066 1.0932 H 0 0 0 0 0 -0.3175 -2.8134 2.4949 H 0 0 0 0 0 0.4407 -4.3030 2.6665 H 0 0 0 0 0 -0.6779 4.4065 2.4590 H 0 0 0 0 0 -1.4659 -2.8470 -2.6062 H 0 0 0 0 0 17 11 1 0 0 0 11 18 2 0 0 0 11 27 1 0 0 0 18 9 1 0 0 0 8 21 1 0 0 0 16 21 1 0 0 0 16 7 2 0 0 0 9 7 1 0 0 0 9 10 2 0 0 0 27 10 1 0 0 0 7 6 1 0 0 0 20 6 2 0 0 0 6 15 1 0 0 0 15 5 1 0 0 0 26 3 1 0 0 0 26 4 1 0 0 0 3 2 1 0 0 0 5 4 1 0 0 0 5 12 1 0 0 0 2 1 2 0 0 0 2 13 1 0 0 0 4 19 1 0 0 0 22 12 2 0 0 0 12 23 1 0 0 0 19 13 2 0 0 0 13 14 1 0 0 0 24 14 2 0 0 0 14 25 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 3 30 1 0 0 0 3 31 1 0 0 0 4 32 1 0 0 0 5 33 1 0 0 0 8 34 1 0 0 0 8 35 1 0 0 0 8 36 1 0 0 0 10 37 1 0 0 0 15 38 1 0 0 0 17 39 1 0 0 0 17 40 1 0 0 0 23 41 1 0 0 0 25 42 1 0 0 0 M END $$$$