0KS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 40 41 0 0 0 0 0 0 0 0999 V2000 -1.6673 -0.0524 0.2168 C 0 0 0 0 0 -0.5297 -0.8051 -0.0102 C 0 0 0 0 0 -1.5622 1.2948 0.5103 C 0 0 0 0 0 0.7168 -0.2137 0.0628 C 0 0 0 0 0 -0.3191 1.8921 0.5835 C 0 0 0 0 0 0.8262 1.1375 0.3636 C 0 0 0 0 0 2.0851 1.7380 0.4372 N 0 0 0 0 0 3.1561 1.2732 1.6112 S 0 0 0 0 0 3.9747 2.4037 1.8777 O 0 0 0 0 0 2.3944 0.6133 2.6115 O 0 0 0 0 0 4.2106 0.0530 0.9018 C 0 0 0 0 0 5.3204 0.4370 0.1728 C 0 0 0 0 0 3.9307 -1.2894 1.0784 C 0 0 0 0 0 4.7604 -2.2471 0.5271 C 0 0 0 0 0 6.1475 -0.5208 -0.3838 C 0 0 0 0 0 5.8702 -1.8631 -0.2019 C 0 0 0 0 0 2.4576 2.7794 -0.5242 C 0 0 0 0 0 -3.0260 -0.6997 0.1363 C 0 0 0 0 0 -3.7268 -0.5833 1.4917 C 0 0 0 0 0 -3.8638 0.0029 -0.9334 C 0 0 0 0 0 -3.8735 0.7662 1.8267 F 0 0 0 0 0 -4.9876 -1.1849 1.4177 F 0 0 0 0 0 -2.9606 -1.2259 2.4696 F 0 0 0 0 0 -5.0763 -0.6771 -1.0969 F 0 0 0 0 0 -4.1177 1.3199 -0.5358 F 0 0 0 0 0 -3.1654 0.0073 -2.1446 F 0 0 0 0 0 -2.8758 -2.0793 -0.2051 O 0 0 0 0 0 -0.6157 -1.8557 -0.2441 H 0 0 0 0 0 -2.4528 1.8805 0.6822 H 0 0 0 0 0 1.6049 -0.8026 -0.1139 H 0 0 0 0 0 -0.2379 2.9444 0.8124 H 0 0 0 0 0 5.5425 1.4854 0.0387 H 0 0 0 0 0 3.0633 -1.5896 1.6480 H 0 0 0 0 0 4.5439 -3.2958 0.6696 H 0 0 0 0 0 7.0139 -0.2207 -0.9534 H 0 0 0 0 0 6.5192 -2.6112 -0.6321 H 0 0 0 0 0 2.1701 3.7551 -0.1322 H 0 0 0 0 0 3.5352 2.7558 -0.6860 H 0 0 0 0 0 1.9443 2.6025 -1.4691 H 0 0 0 0 0 -2.4379 -2.2293 -1.0549 H 0 0 0 0 0 14 16 2 0 0 0 14 13 1 0 0 0 16 15 1 0 0 0 13 11 2 0 0 0 15 12 2 0 0 0 11 12 1 0 0 0 11 8 1 0 0 0 17 7 1 0 0 0 9 8 2 0 0 0 5 3 2 0 0 0 5 6 1 0 0 0 22 19 1 0 0 0 3 1 1 0 0 0 8 7 1 0 0 0 8 10 2 0 0 0 7 6 1 0 0 0 6 4 2 0 0 0 27 18 1 0 0 0 19 21 1 0 0 0 19 18 1 0 0 0 19 23 1 0 0 0 1 18 1 0 0 0 1 2 2 0 0 0 18 20 1 0 0 0 4 2 1 0 0 0 20 26 1 0 0 0 20 24 1 0 0 0 20 25 1 0 0 0 2 28 1 0 0 0 3 29 1 0 0 0 4 30 1 0 0 0 5 31 1 0 0 0 12 32 1 0 0 0 13 33 1 0 0 0 14 34 1 0 0 0 15 35 1 0 0 0 16 36 1 0 0 0 17 37 1 0 0 0 17 38 1 0 0 0 17 39 1 0 0 0 27 40 1 0 0 0 M END $$$$