J1J Converted by convert_cif2sdf.py 2024/03/29 11:09:15 65 67 0 0 0 0 0 0 0 0999 V2000 -4.0710 -0.1351 0.4629 C 0 0 0 0 0 -4.1240 -1.1767 1.0876 O 0 0 0 0 0 -5.2992 0.6496 0.2307 C 0 0 0 0 0 -5.2382 1.8507 -0.4891 C 0 0 0 0 0 -6.3642 2.5870 -0.7121 C 0 0 0 0 0 -7.5941 2.1513 -0.2241 C 0 0 0 0 0 -7.6702 0.9466 0.4997 C 0 0 0 0 0 -6.5189 0.1933 0.7220 C 0 0 0 0 0 -8.9775 0.5031 1.0064 C 0 0 0 0 0 -10.0698 1.2834 0.7520 C 0 0 0 0 0 -9.9302 2.4748 0.0238 C 0 0 0 0 0 -10.9181 3.1565 -0.1921 O 0 0 0 0 0 -8.7392 2.8862 -0.4431 N 0 0 0 0 0 -9.0956 -0.6481 1.7070 O 0 0 0 0 0 -2.8889 0.3060 -0.0119 N 0 0 0 0 0 -0.4735 0.4471 0.1708 C 0 0 0 0 0 -0.6256 1.6316 -0.0424 O 0 0 0 0 0 -1.5337 -1.5471 -0.8542 C 0 0 0 0 0 -2.6650 -2.5332 -0.7229 C 0 0 0 0 0 -3.8468 -2.3243 -1.4077 C 0 0 0 0 0 -2.5176 -3.6511 0.0771 C 0 0 0 0 0 -4.8850 -3.2304 -1.2875 C 0 0 0 0 0 -3.5557 -4.5562 0.1985 C 0 0 0 0 0 -4.7394 -4.3444 -0.4823 C 0 0 0 0 0 6.9028 1.0807 0.6966 C 0 0 0 0 0 5.6895 0.1508 0.7489 C 0 0 0 0 0 4.4151 0.9607 0.5037 C 0 0 0 0 0 3.2018 0.0308 0.5560 C 0 0 0 0 0 8.9030 0.9538 -1.1541 N 0 0 0 0 0 9.0295 0.2171 -0.0007 C 0 0 0 0 0 -1.6693 -0.4694 0.2236 C 0 0 0 0 0 10.1127 -0.6138 0.1697 N 0 0 0 0 0 1.9275 0.8408 0.3108 C 0 0 0 0 0 0.7647 -0.0500 0.3616 N 0 0 0 0 0 8.1234 0.3052 0.9321 N 0 0 0 0 0 -2.8467 1.1371 -0.5104 H 0 0 0 0 0 -4.2888 2.1971 -0.8704 H 0 0 0 0 0 -6.5726 -0.7335 1.2739 H 0 0 0 0 0 -6.3016 3.5106 -1.2671 H 0 0 0 0 0 -8.6841 3.7158 -0.9416 H 0 0 0 0 0 -11.0426 0.9817 1.1120 H 0 0 0 0 0 -9.9984 -0.8444 1.9918 H 0 0 0 0 0 -1.7221 -0.9415 1.2047 H 0 0 0 0 0 0.8869 -0.9963 0.5315 H 0 0 0 0 0 -0.5827 -2.0657 -0.7323 H 0 0 0 0 0 -1.5693 -1.0815 -1.8396 H 0 0 0 0 0 -3.9605 -1.4543 -2.0369 H 0 0 0 0 0 -1.5915 -3.8165 0.6085 H 0 0 0 0 0 -5.8091 -3.0660 -1.8218 H 0 0 0 0 0 -3.4402 -5.4291 0.8235 H 0 0 0 0 0 -5.5509 -5.0519 -0.3886 H 0 0 0 0 0 6.9566 1.5528 -0.2845 H 0 0 0 0 0 6.8070 1.8490 1.4637 H 0 0 0 0 0 5.7862 -0.6165 -0.0181 H 0 0 0 0 0 5.6367 -0.3213 1.7301 H 0 0 0 0 0 4.3184 1.7280 1.2707 H 0 0 0 0 0 4.4689 1.4328 -0.4774 H 0 0 0 0 0 3.2986 -0.7365 -0.2110 H 0 0 0 0 0 3.1480 -0.4412 1.5372 H 0 0 0 0 0 1.8307 1.6081 1.0778 H 0 0 0 0 0 1.9803 1.3129 -0.6703 H 0 0 0 0 0 9.4940 0.7849 -1.9049 H 0 0 0 0 0 8.2227 1.6422 -1.2177 H 0 0 0 0 0 10.7868 -0.6798 -0.5252 H 0 0 0 0 0 10.2020 -1.1331 0.9829 H 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 15 1 0 0 0 3 4 1 0 0 0 3 8 2 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 9 10 2 0 0 0 9 14 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 15 31 1 0 0 0 16 17 2 0 0 0 16 31 1 0 0 0 16 34 1 0 0 0 18 19 1 0 0 0 18 31 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 22 2 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 23 24 2 0 0 0 25 26 1 0 0 0 25 35 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 33 1 0 0 0 29 30 1 0 0 0 30 32 1 0 0 0 30 35 2 0 0 0 33 34 1 0 0 0 15 36 1 0 0 0 4 37 1 0 0 0 8 38 1 0 0 0 5 39 1 0 0 0 13 40 1 0 0 0 10 41 1 0 0 0 14 42 1 0 0 0 31 43 1 0 0 0 34 44 1 0 0 0 18 45 1 0 0 0 18 46 1 0 0 0 20 47 1 0 0 0 21 48 1 0 0 0 22 49 1 0 0 0 23 50 1 0 0 0 24 51 1 0 0 0 25 52 1 0 0 0 25 53 1 0 0 0 26 54 1 0 0 0 26 55 1 0 0 0 27 56 1 0 0 0 27 57 1 0 0 0 28 58 1 0 0 0 28 59 1 0 0 0 33 60 1 0 0 0 33 61 1 0 0 0 29 62 1 0 0 0 29 63 1 0 0 0 32 64 1 0 0 0 32 65 1 0 0 0 M END $$$$