91O Converted by convert_cif2sdf.py 2024/03/29 11:09:15 41 42 0 0 0 0 0 0 0 0999 V2000 -5.2696 1.0939 0.0002 C 0 0 0 0 0 -3.8856 1.1070 0.0158 C 0 0 0 0 0 3.1490 -1.2590 -0.0228 C 0 0 0 0 0 4.5259 -1.2359 -0.0053 C 0 0 0 0 0 7.1895 1.2808 0.0261 C 0 0 0 0 0 -1.1176 1.1163 0.0350 C 0 0 0 0 0 0.9543 -0.0815 -0.0544 C 0 0 0 0 0 0.2303 1.1317 -0.0674 C 0 0 0 0 0 2.4322 -0.0608 -0.0358 C 0 0 0 0 0 -5.2001 3.4674 0.0029 C 0 0 0 0 0 3.1152 1.1578 -0.0293 C 0 0 0 0 0 -5.9525 -0.1326 -0.0023 C 0 0 0 0 0 -7.4234 -0.1594 -0.0188 C 0 0 0 0 0 -5.2287 -1.3309 0.0107 C 0 0 0 0 0 -3.8628 -1.3058 0.0262 C 0 0 0 0 0 -3.1808 -0.0893 0.0228 C 0 0 0 0 0 4.4921 1.1739 -0.0107 C 0 0 0 0 0 5.2020 -0.0214 0.0013 C 0 0 0 0 0 -1.7888 -0.0751 0.0373 N 0 0 0 0 0 -8.0757 -1.3387 -0.0205 O 0 0 0 0 0 -8.0493 0.8825 -0.0302 O 0 0 0 0 0 0.3602 -1.1455 -0.0596 O 0 0 0 0 0 6.5589 -0.0014 0.0198 O 0 0 0 0 0 -5.9632 2.2593 -0.0067 O 0 0 0 0 0 -2.9720 -2.7960 0.0425 CL 0 0 0 0 0 -3.3538 2.0476 0.0205 H 0 0 0 0 0 2.6252 -2.2035 -0.0326 H 0 0 0 0 0 5.0810 -2.1623 0.0046 H 0 0 0 0 0 8.2723 1.1529 0.0414 H 0 0 0 0 0 6.9016 1.8310 -0.8702 H 0 0 0 0 0 6.8761 1.8356 0.9098 H 0 0 0 0 0 -1.6637 2.0441 0.1131 H 0 0 0 0 0 0.7541 2.0718 -0.1577 H 0 0 0 0 0 -4.5811 3.5004 0.8996 H 0 0 0 0 0 -4.5626 3.5018 -0.8805 H 0 0 0 0 0 -5.8748 4.3240 -0.0047 H 0 0 0 0 0 2.5631 2.0872 -0.0392 H 0 0 0 0 0 -5.7505 -2.2763 0.0139 H 0 0 0 0 0 5.0199 2.1154 -0.0060 H 0 0 0 0 0 -9.0429 -1.3051 -0.0314 H 0 0 0 0 0 -1.2953 -0.9099 0.0498 H 0 0 0 0 0 21 13 2 0 0 0 25 15 1 0 0 0 14 15 2 0 0 0 14 12 1 0 0 0 13 12 1 0 0 0 13 20 1 0 0 0 15 16 1 0 0 0 12 1 2 0 0 0 16 19 1 0 0 0 16 2 2 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 19 6 1 0 0 0 22 7 2 0 0 0 10 24 1 0 0 0 7 9 1 0 0 0 7 8 1 0 0 0 6 8 2 0 0 0 3 9 2 0 0 0 3 4 1 0 0 0 9 11 1 0 0 0 4 18 2 0 0 0 11 17 2 0 0 0 18 17 1 0 0 0 18 23 1 0 0 0 23 5 1 0 0 0 2 26 1 0 0 0 3 27 1 0 0 0 4 28 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 5 31 1 0 0 0 6 32 1 0 0 0 8 33 1 0 0 0 10 34 1 0 0 0 10 35 1 0 0 0 10 36 1 0 0 0 11 37 1 0 0 0 14 38 1 0 0 0 17 39 1 0 0 0 20 40 1 0 0 0 19 41 1 0 0 0 M END $$$$