9J5 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 54 57 0 0 0 0 0 0 0 0999 V2000 2.7278 -3.3719 1.9319 C 0 0 0 0 0 1.7413 -2.5222 1.2885 O 0 0 0 0 0 1.2449 -2.9457 0.1157 C 0 0 0 0 0 1.6878 -3.9430 -0.4033 O 0 0 0 0 0 0.1339 -2.1781 -0.5535 C 0 0 0 0 0 -1.1080 -3.0665 -0.6598 C 0 0 0 0 0 -1.6257 -3.3884 0.7441 C 0 0 0 0 0 0.5786 -1.7539 -1.9546 C 0 0 0 0 0 1.7777 -0.9150 -1.8622 N 0 0 0 0 0 -0.5052 -0.9356 -2.6085 C 0 0 0 0 0 -1.1476 -1.2053 -3.7086 N 0 0 0 0 0 -1.9704 -0.2516 -3.9742 N 0 0 0 0 0 -1.9009 0.6682 -3.0475 C 0 0 0 0 0 -2.6876 1.9521 -2.9963 C 0 0 0 0 0 -0.9840 0.2438 -2.1381 N 0 0 0 0 0 -0.6211 0.8572 -0.9389 C 0 0 0 0 0 -1.6004 1.5341 -0.2219 C 0 0 0 0 0 -1.2970 2.1294 0.9907 C 0 0 0 0 0 -2.2594 2.7909 1.6834 O 0 0 0 0 0 -1.8744 3.3810 2.9267 C 0 0 0 0 0 -0.0042 2.0490 1.4971 C 0 0 0 0 0 0.9750 1.3939 0.7914 C 0 0 0 0 0 0.6862 0.7998 -0.4486 C 0 0 0 0 0 1.7907 0.1840 -1.1892 C 0 0 0 0 0 3.0796 0.9130 -1.1605 C 0 0 0 0 0 4.2796 0.2216 -1.3257 C 0 0 0 0 0 5.4766 0.9056 -1.2984 C 0 0 0 0 0 5.4890 2.2776 -1.1074 C 0 0 0 0 0 6.9993 3.1321 -1.0749 CL 0 0 0 0 0 4.3007 2.9695 -0.9434 C 0 0 0 0 0 3.0977 2.2951 -0.9731 C 0 0 0 0 0 2.2680 -4.3205 2.2056 H 0 0 0 0 0 3.5545 -3.5539 1.2435 H 0 0 0 0 0 3.1043 -2.8780 2.8272 H 0 0 0 0 0 -0.1027 -1.2935 0.0370 H 0 0 0 0 0 -1.8818 -2.5432 -1.2213 H 0 0 0 0 0 -0.8492 -3.9929 -1.1721 H 0 0 0 0 0 -0.8519 -3.9117 1.3056 H 0 0 0 0 0 -1.8844 -2.4619 1.2564 H 0 0 0 0 0 -2.5105 -4.0215 0.6679 H 0 0 0 0 0 0.7908 -2.6366 -2.5574 H 0 0 0 0 0 -3.6205 1.7862 -2.4568 H 0 0 0 0 0 -2.1029 2.7167 -2.4842 H 0 0 0 0 0 -2.9101 2.2833 -4.0105 H 0 0 0 0 0 -2.6045 1.5952 -0.6133 H 0 0 0 0 0 -1.5089 2.6048 3.5998 H 0 0 0 0 0 -1.0848 4.1120 2.7524 H 0 0 0 0 0 -2.7346 3.8766 3.3757 H 0 0 0 0 0 0.2310 2.5034 2.4487 H 0 0 0 0 0 1.9756 1.3362 1.1921 H 0 0 0 0 0 4.2707 -0.8478 -1.4750 H 0 0 0 0 0 6.4064 0.3716 -1.4267 H 0 0 0 0 0 4.3159 4.0393 -0.7952 H 0 0 0 0 0 2.1711 2.8372 -0.8494 H 0 0 0 0 0 14 13 1 0 0 0 7 6 1 0 0 0 19 20 1 0 0 0 19 18 1 0 0 0 12 13 2 0 0 0 12 11 1 0 0 0 13 15 1 0 0 0 17 18 2 0 0 0 17 16 1 0 0 0 6 5 1 0 0 0 11 10 2 0 0 0 18 21 1 0 0 0 15 10 1 0 0 0 15 16 1 0 0 0 10 8 1 0 0 0 16 23 2 0 0 0 21 22 2 0 0 0 5 8 1 0 0 0 5 3 1 0 0 0 8 9 1 0 0 0 23 22 1 0 0 0 23 24 1 0 0 0 3 2 1 0 0 0 3 4 2 0 0 0 2 1 1 0 0 0 9 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 31 1 0 0 0 26 27 1 0 0 0 31 30 2 0 0 0 27 28 2 0 0 0 30 28 1 0 0 0 28 29 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 1 34 1 0 0 0 5 35 1 0 0 0 6 36 1 0 0 0 6 37 1 0 0 0 7 38 1 0 0 0 7 39 1 0 0 0 7 40 1 0 0 0 8 41 1 0 0 0 14 42 1 0 0 0 14 43 1 0 0 0 14 44 1 0 0 0 17 45 1 0 0 0 20 46 1 0 0 0 20 47 1 0 0 0 20 48 1 0 0 0 21 49 1 0 0 0 22 50 1 0 0 0 26 51 1 0 0 0 27 52 1 0 0 0 30 53 1 0 0 0 31 54 1 0 0 0 M END $$$$