972 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 44 46 0 0 0 0 0 0 0 0999 V2000 -4.2778 -0.5815 0.0381 C 0 0 0 0 0 -4.4275 0.5906 -0.7154 C 0 0 0 0 0 -5.9953 1.0439 -1.3076 CL 0 0 0 0 0 -3.3354 1.3841 -0.9903 C 0 0 0 0 0 -2.0790 1.0244 -0.5190 C 0 0 0 0 0 -1.9166 -0.1507 0.2393 C 0 0 0 0 0 -3.0249 -0.9516 0.5153 C 0 0 0 0 0 -5.4557 -1.4257 0.3276 C 0 0 0 0 0 -6.5170 -0.9021 0.9389 N 0 0 0 0 0 -5.4551 -2.7118 -0.0237 N 0 3 0 0 0 -0.8265 1.5923 -0.6219 N 0 0 0 0 0 -0.6001 -0.2456 0.5534 N 0 0 0 0 0 0.0456 0.7794 0.0535 C 0 0 0 0 0 1.4964 1.0180 0.1926 C 0 0 0 0 0 1.9769 2.3116 0.4131 C 0 0 0 0 0 3.3317 2.5314 0.5412 C 0 0 0 0 0 4.2221 1.4747 0.4538 C 0 0 0 0 0 3.7607 0.1869 0.2354 C 0 0 0 0 0 2.3970 -0.0477 0.0973 C 0 0 0 0 0 1.9409 -1.3092 -0.1173 O 0 5 0 0 0 4.6405 -0.8462 0.1503 O 0 0 0 0 0 5.9463 -0.2912 0.3243 C 0 0 0 0 0 6.9896 -1.4067 0.2395 C 0 0 0 0 0 6.9871 -2.0009 -1.1708 C 0 0 0 0 0 8.3743 -0.8345 0.5486 C 0 0 0 0 0 -3.4568 2.2857 -1.5716 H 0 0 0 0 0 -2.9106 -1.8551 1.0964 H 0 0 0 0 0 -6.5169 0.0330 1.1947 H 0 0 0 0 0 -7.2892 -1.4565 1.1287 H 0 0 0 0 0 -6.1954 -3.2836 0.2323 H 0 0 0 0 0 -4.7150 -3.0749 -0.5345 H 0 0 0 0 0 -0.6030 2.4142 -1.0864 H 0 0 0 0 0 1.2857 3.1385 0.4825 H 0 0 0 0 0 3.7000 3.5316 0.7126 H 0 0 0 0 0 5.2818 1.6562 0.5570 H 0 0 0 0 0 6.0094 0.1913 1.3003 H 0 0 0 0 0 6.1361 0.4437 -0.4578 H 0 0 0 0 0 6.7493 -2.1862 0.9626 H 0 0 0 0 0 7.7308 -2.7960 -1.2311 H 0 0 0 0 0 6.0006 -2.4085 -1.3909 H 0 0 0 0 0 7.2284 -1.2224 -1.8938 H 0 0 0 0 0 8.6156 -0.0551 -0.1745 H 0 0 0 0 0 8.3769 -0.4111 1.5531 H 0 0 0 0 0 9.1180 -1.6297 0.4882 H 0 0 0 0 0 1 2 2 0 0 0 1 7 1 0 0 0 1 8 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 2 0 0 0 4 26 1 0 0 0 5 6 1 0 0 0 5 11 1 0 0 0 6 7 2 0 0 0 6 12 1 0 0 0 7 27 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 28 1 0 0 0 9 29 1 0 0 0 10 30 1 0 0 0 10 31 1 0 0 0 11 13 1 0 0 0 11 32 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 14 19 1 0 0 0 15 16 1 0 0 0 15 33 1 0 0 0 16 17 2 0 0 0 16 34 1 0 0 0 17 18 1 0 0 0 17 35 1 0 0 0 18 19 2 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 36 1 0 0 0 22 37 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 23 38 1 0 0 0 24 39 1 0 0 0 24 40 1 0 0 0 24 41 1 0 0 0 25 42 1 0 0 0 25 43 1 0 0 0 25 44 1 0 0 0 M END $$$$