JYI Converted by convert_cif2sdf.py 2024/03/29 11:09:15 53 56 0 0 0 0 0 0 0 0999 V2000 2.0119 -3.0998 1.1171 C 0 0 0 0 0 1.8162 -4.4439 0.8748 C 0 0 0 0 0 1.4885 -4.8802 -0.3963 C 0 0 0 0 0 1.3554 -3.9723 -1.4321 C 0 0 0 0 0 1.5484 -2.6250 -1.2009 C 0 0 0 0 0 1.8730 -2.1793 0.0791 C 0 0 0 0 0 2.0813 -0.7338 0.3337 C 0 0 0 0 0 0.9547 0.2228 0.1981 C 0 0 0 0 0 -0.3606 -0.2210 0.2257 C 0 0 0 0 0 3.2868 -0.2770 0.6926 C 0 0 0 0 0 3.5066 1.1846 0.9681 C 0 0 0 0 0 2.6683 2.0440 0.0251 C 0 0 0 0 0 3.2181 1.9237 -1.3972 C 0 0 0 0 0 2.7378 3.5060 0.4731 C 0 0 0 0 0 1.2348 1.5823 0.0425 C 0 0 0 0 0 0.2030 2.4907 -0.0864 C 0 0 0 0 0 -1.1081 2.0585 -0.0708 C 0 0 0 0 0 -1.4010 0.7023 0.0967 C 0 0 0 0 0 -2.8009 0.2455 0.1251 C 0 0 0 0 0 -3.8004 1.1347 0.0005 C 0 0 0 0 0 -5.2002 0.6789 0.0279 C 0 0 0 0 0 -5.4894 -0.6807 0.1834 C 0 0 0 0 0 -6.7868 -1.1061 0.2090 C 0 0 0 0 0 -7.8315 -0.1855 0.0800 C 0 0 0 0 0 -9.2311 -0.6493 0.1084 C 0 0 0 0 0 -10.2378 0.2376 -0.0152 O 0 0 0 0 0 -9.4762 -1.8325 0.2429 O 0 0 0 0 0 -7.5492 1.1759 -0.0746 C 0 0 0 0 0 -6.2421 1.6074 -0.0952 C 0 0 0 0 0 -5.8863 3.2960 -0.2808 CL 0 0 0 0 0 2.2683 -2.7610 2.1096 H 0 0 0 0 0 1.9196 -5.1576 1.6792 H 0 0 0 0 0 1.3365 -5.9328 -0.5814 H 0 0 0 0 0 1.0993 -4.3181 -2.4226 H 0 0 0 0 0 1.4445 -1.9173 -2.0103 H 0 0 0 0 0 -0.5770 -1.2724 0.3454 H 0 0 0 0 0 4.1125 -0.9670 0.7872 H 0 0 0 0 0 3.2258 1.4022 1.9986 H 0 0 0 0 0 4.5615 1.4225 0.8270 H 0 0 0 0 0 3.1733 0.8830 -1.7170 H 0 0 0 0 0 2.6204 2.5368 -2.0715 H 0 0 0 0 0 4.2524 2.2657 -1.4160 H 0 0 0 0 0 3.7737 3.8439 0.4483 H 0 0 0 0 0 2.1392 4.1202 -0.1992 H 0 0 0 0 0 2.3502 3.5940 1.4882 H 0 0 0 0 0 0.4224 3.5418 -0.1990 H 0 0 0 0 0 -1.9113 2.7744 -0.1706 H 0 0 0 0 0 -3.0252 -0.8042 0.2447 H 0 0 0 0 0 -3.5771 2.1845 -0.1192 H 0 0 0 0 0 -4.6860 -1.3947 0.2832 H 0 0 0 0 0 -7.0062 -2.1573 0.3286 H 0 0 0 0 0 -11.1384 -0.1142 0.0092 H 0 0 0 0 0 -8.3548 1.8870 -0.1734 H 0 0 0 0 0 14 12 1 0 0 0 13 12 1 0 0 0 12 11 1 0 0 0 12 15 1 0 0 0 11 10 1 0 0 0 10 7 2 0 0 0 15 16 2 0 0 0 15 8 1 0 0 0 16 17 1 0 0 0 7 8 1 0 0 0 7 6 1 0 0 0 8 9 2 0 0 0 17 18 2 0 0 0 6 1 2 0 0 0 6 5 1 0 0 0 1 2 1 0 0 0 9 18 1 0 0 0 18 19 1 0 0 0 5 4 2 0 0 0 2 3 2 0 0 0 19 20 2 0 0 0 4 3 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 21 29 1 0 0 0 22 23 1 0 0 0 30 29 1 0 0 0 29 28 2 0 0 0 23 24 2 0 0 0 28 24 1 0 0 0 24 25 1 0 0 0 25 27 2 0 0 0 25 26 1 0 0 0 1 31 1 0 0 0 2 32 1 0 0 0 3 33 1 0 0 0 4 34 1 0 0 0 5 35 1 0 0 0 9 36 1 0 0 0 10 37 1 0 0 0 11 38 1 0 0 0 11 39 1 0 0 0 13 40 1 0 0 0 13 41 1 0 0 0 13 42 1 0 0 0 14 43 1 0 0 0 14 44 1 0 0 0 14 45 1 0 0 0 16 46 1 0 0 0 17 47 1 0 0 0 19 48 1 0 0 0 20 49 1 0 0 0 22 50 1 0 0 0 23 51 1 0 0 0 26 52 1 0 0 0 28 53 1 0 0 0 M END $$$$