CTU Converted by convert_cif2sdf.py 2024/03/29 11:09:15 60 66 0 0 0 0 0 0 0 0999 V2000 0.6663 -4.8650 1.1862 O 0 0 0 0 0 0.0039 -3.8569 1.3417 C 0 0 0 0 0 -1.1857 -3.5696 0.7614 N 0 0 0 0 0 0.3047 -2.8101 2.1270 O 0 0 0 0 0 -0.5549 -1.9613 2.0675 N 0 0 0 0 0 -1.5189 -2.3146 1.2613 C 0 0 0 0 0 -2.7224 -1.5407 0.9471 C 0 0 0 0 0 -4.0772 -2.0545 1.3598 C 0 0 0 0 0 -2.6165 -0.3593 0.2839 C 0 0 0 0 0 -3.8167 0.4774 0.0911 C 0 0 0 0 0 -4.9353 0.0116 -0.5941 C 0 0 0 0 0 -6.0359 0.8357 -0.7242 C 0 0 0 0 0 -6.0206 2.1089 -0.1752 C 0 0 0 0 0 -7.1059 2.9041 -0.3010 F 0 0 0 0 0 -4.9055 2.5752 0.5017 C 0 0 0 0 0 -3.7907 1.7580 0.6285 C 0 0 0 0 0 -2.6737 2.2045 1.2354 O 0 0 0 0 0 -1.5326 2.5363 0.4856 C 0 0 0 0 0 -0.8210 1.3651 -0.1385 C 0 0 0 0 0 0.4405 1.6495 -0.6608 C 0 0 0 0 0 -1.2990 0.0722 -0.2291 C 0 0 0 0 0 -0.5194 -0.9200 -0.8453 C 0 0 0 0 0 0.7212 -0.6208 -1.3594 C 0 0 0 0 0 1.2031 0.6734 -1.2627 C 0 0 0 0 0 2.5626 1.0164 -1.8162 C 0 0 0 0 0 3.6047 0.8170 -0.7472 C 0 0 0 0 0 4.0261 1.7410 0.1449 C 0 0 0 0 0 3.5293 3.1610 0.2401 C 0 0 0 0 0 4.2744 4.1077 1.1836 C 0 0 0 0 0 2.8819 3.5952 1.5571 C 0 0 0 0 0 4.2988 -0.3351 -0.4927 N 0 0 0 0 0 4.2777 -1.5714 -1.0708 C 0 0 0 0 0 5.0822 -2.5557 -0.6174 C 0 0 0 0 0 5.9546 -2.3197 0.4586 C 0 0 0 0 0 5.9854 -1.0910 1.0431 C 0 0 0 0 0 7.0583 -0.7797 2.3732 CL 0 0 0 0 0 5.1385 -0.0735 0.5574 C 0 0 0 0 0 4.9564 1.1866 0.9254 N 0 0 0 0 0 -1.6910 -4.1144 0.1376 H 0 0 0 0 0 -4.3197 -1.6823 2.3551 H 0 0 0 0 0 -4.8285 -1.7080 0.6500 H 0 0 0 0 0 -4.0641 -3.1444 1.3722 H 0 0 0 0 0 -4.9418 -0.9819 -1.0194 H 0 0 0 0 0 -6.9093 0.4872 -1.2555 H 0 0 0 0 0 -4.9041 3.5673 0.9269 H 0 0 0 0 0 -1.8334 3.2189 -0.3092 H 0 0 0 0 0 -0.8307 3.0594 1.1353 H 0 0 0 0 0 0.8269 2.6553 -0.5918 H 0 0 0 0 0 -0.8970 -1.9293 -0.9165 H 0 0 0 0 0 1.3148 -1.3886 -1.8318 H 0 0 0 0 0 2.7832 0.3681 -2.6648 H 0 0 0 0 0 2.5707 2.0558 -2.1431 H 0 0 0 0 0 3.1271 3.5808 -0.6807 H 0 0 0 0 0 5.1234 3.7041 1.7346 H 0 0 0 0 0 4.3623 5.1519 0.8819 H 0 0 0 0 0 2.0538 4.3012 1.5018 H 0 0 0 0 0 2.8150 2.8542 2.3534 H 0 0 0 0 0 3.6103 -1.7648 -1.8976 H 0 0 0 0 0 5.0543 -3.5300 -1.0835 H 0 0 0 0 0 6.5971 -3.1091 0.8195 H 0 0 0 0 0 29 28 1 0 0 0 29 30 1 0 0 0 28 30 1 0 0 0 28 27 1 0 0 0 1 2 2 0 0 0 27 38 1 0 0 0 27 26 2 0 0 0 38 37 2 0 0 0 25 26 1 0 0 0 25 24 1 0 0 0 26 31 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 20 24 2 0 0 0 20 19 1 0 0 0 3 6 1 0 0 0 18 19 1 0 0 0 18 17 1 0 0 0 24 23 1 0 0 0 37 31 1 0 0 0 37 35 1 0 0 0 19 21 2 0 0 0 31 32 1 0 0 0 4 5 1 0 0 0 36 35 1 0 0 0 17 16 1 0 0 0 23 22 2 0 0 0 35 34 2 0 0 0 6 5 2 0 0 0 6 7 1 0 0 0 21 22 1 0 0 0 21 9 1 0 0 0 32 33 2 0 0 0 7 9 2 0 0 0 7 8 1 0 0 0 34 33 1 0 0 0 9 10 1 0 0 0 16 10 2 0 0 0 16 15 1 0 0 0 10 11 1 0 0 0 15 13 2 0 0 0 11 12 2 0 0 0 13 12 1 0 0 0 13 14 1 0 0 0 3 39 1 0 0 0 8 40 1 0 0 0 8 41 1 0 0 0 8 42 1 0 0 0 11 43 1 0 0 0 12 44 1 0 0 0 15 45 1 0 0 0 18 46 1 0 0 0 18 47 1 0 0 0 20 48 1 0 0 0 22 49 1 0 0 0 23 50 1 0 0 0 25 51 1 0 0 0 25 52 1 0 0 0 28 53 1 0 0 0 29 54 1 0 0 0 29 55 1 0 0 0 30 56 1 0 0 0 30 57 1 0 0 0 32 58 1 0 0 0 33 59 1 0 0 0 34 60 1 0 0 0 M END $$$$