JJD Converted by convert_cif2sdf.py 2024/03/29 11:09:15 51 53 0 0 0 0 0 0 0 0999 V2000 1.6321 -0.5847 1.0286 C 0 0 0 0 0 1.0047 0.7275 1.2617 N 0 0 0 0 0 -0.2542 0.9240 0.8218 C 0 0 0 0 0 -0.9454 -0.0296 0.1863 N 0 0 0 0 0 -0.4530 -1.2750 -0.0765 C 0 0 0 0 0 0.8006 -1.6239 0.3044 C 0 0 0 0 0 2.8936 -0.3621 0.2351 C 0 0 0 0 0 4.1229 -0.6561 0.7989 C 0 0 0 0 0 5.2816 -0.4544 0.0776 C 0 0 0 0 0 5.2121 0.0458 -1.2242 C 0 0 0 0 0 3.9678 0.3390 -1.7867 C 0 0 0 0 0 2.8175 0.1282 -1.0564 C 0 0 0 0 0 6.4104 0.2580 -1.9784 C 0 0 0 0 0 7.3619 0.4252 -2.5774 N 0 0 0 0 0 1.3114 -2.9051 0.0356 C 0 0 0 0 0 0.6696 -3.6849 -0.6398 O 0 0 0 0 0 2.6542 -3.3119 0.5861 C 0 0 0 0 0 -2.2490 0.2663 -0.2328 C 0 0 0 0 0 -3.3361 -0.2425 0.4636 C 0 0 0 0 0 -4.6201 0.0516 0.0484 C 0 0 0 0 0 -4.8228 0.8538 -1.0607 C 0 0 0 0 0 -3.7416 1.3631 -1.7554 C 0 0 0 0 0 -2.4552 1.0765 -1.3424 C 0 0 0 0 0 -5.8011 -0.5009 0.8027 C 0 0 0 0 0 -6.1717 0.3955 1.8102 F 0 0 0 0 0 -6.8740 -0.6831 -0.0767 F 0 0 0 0 0 -5.4548 -1.7291 1.3763 F 0 0 0 0 0 -1.3156 -2.2772 -0.7994 C 0 0 0 0 0 -0.7787 2.0041 1.0102 O 0 0 0 0 0 1.7323 1.7934 1.9544 C 0 0 0 0 0 2.3722 2.7065 0.9406 C 0 0 0 0 0 3.1913 3.6892 1.3452 O 0 0 0 0 0 2.1472 2.5537 -0.2366 O 0 0 0 0 0 1.9165 -0.9976 1.9966 H 0 0 0 0 0 4.1751 -1.0425 1.8051 H 0 0 0 0 0 6.2406 -0.6833 0.5184 H 0 0 0 0 0 3.9075 0.7270 -2.7929 H 0 0 0 0 0 1.8542 0.3512 -1.4925 H 0 0 0 0 0 3.0314 -2.5266 1.2410 H 0 0 0 0 0 2.5490 -4.2374 1.1519 H 0 0 0 0 0 3.3519 -3.4658 -0.2367 H 0 0 0 0 0 -3.1784 -0.8698 1.3282 H 0 0 0 0 0 -5.8273 1.0817 -1.3834 H 0 0 0 0 0 -3.9023 1.9884 -2.6210 H 0 0 0 0 0 -1.6114 1.4776 -1.8827 H 0 0 0 0 0 -2.2959 -1.8412 -0.9900 H 0 0 0 0 0 -0.8454 -2.5444 -1.7457 H 0 0 0 0 0 -1.4271 -3.1697 -0.1846 H 0 0 0 0 0 1.0385 2.3643 2.5718 H 0 0 0 0 0 2.5041 1.3546 2.5868 H 0 0 0 0 0 3.5776 4.2494 0.6582 H 0 0 0 0 0 7 1 1 0 0 0 1 6 1 0 0 0 1 2 1 0 0 0 1 34 1 0 0 0 30 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 29 2 0 0 0 5 4 1 0 0 0 4 18 1 0 0 0 6 5 2 0 0 0 5 28 1 0 0 0 15 6 1 0 0 0 8 7 2 0 0 0 7 12 1 0 0 0 9 8 1 0 0 0 8 35 1 0 0 0 9 10 2 0 0 0 9 36 1 0 0 0 13 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 11 37 1 0 0 0 12 38 1 0 0 0 14 13 3 0 0 0 17 15 1 0 0 0 15 16 2 0 0 0 17 39 1 0 0 0 17 40 1 0 0 0 17 41 1 0 0 0 19 18 2 0 0 0 18 23 1 0 0 0 19 20 1 0 0 0 19 42 1 0 0 0 24 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 21 43 1 0 0 0 23 22 2 0 0 0 22 44 1 0 0 0 23 45 1 0 0 0 26 24 1 0 0 0 27 24 1 0 0 0 24 25 1 0 0 0 28 46 1 0 0 0 28 47 1 0 0 0 28 48 1 0 0 0 31 30 1 0 0 0 30 49 1 0 0 0 30 50 1 0 0 0 33 31 2 0 0 0 31 32 1 0 0 0 32 51 1 0 0 0 M END $$$$