B3CXD5 -OEChem-04022108283D 31 32 0 0 0 0 0 0 0999 V2000 -5.7142 -0.6041 0.0815 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4122 -2.0058 -0.9403 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3671 -1.8675 1.2294 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 2.2439 -0.1687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3011 0.1549 -0.0379 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4564 -1.5444 0.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 0.5292 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3825 -0.0725 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0387 -0.4465 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 0.3485 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 1.8771 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 1.0050 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 1.2762 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 2.2509 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 1.0326 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8464 -0.9646 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 -1.1144 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 -0.9091 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 0.4040 0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 -1.5933 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 -1.4994 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 -0.8442 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6934 2.6981 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 1.5872 -0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0084 3.3009 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 2.0543 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 -1.5251 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 0.9473 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 -2.6137 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5556 -2.4969 -0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2595 -1.0494 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 18 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 19 1 0 0 0 0 15 26 1 0 0 0 0 16 20 2 0 0 0 0 16 27 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 M END $$$$