B85XES -OEChem-04022109563D 31 32 0 0 0 0 0 0 0999 V2000 -4.8726 -2.1373 -0.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7084 -2.8313 0.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8211 0.8772 0.0403 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 0.5228 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 1.5255 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 1.2802 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 -0.0798 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2073 -0.4913 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7727 0.0229 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 0.0921 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 2.2287 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 1.7107 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2299 0.4570 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 1.8171 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8113 -0.9079 1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8008 -0.8386 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3253 -1.3386 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5306 -1.9092 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 2.1492 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 2.2019 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 -0.8254 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 0.3491 2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3607 0.4726 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 3.2920 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 2.8011 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2805 0.1808 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7159 2.5559 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 -1.2977 2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2008 -1.1745 -2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1338 -2.0634 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0799 -3.0961 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 31 1 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 13 2 0 0 0 0 8 18 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 16 2 0 0 0 0 10 23 1 0 0 0 0 11 14 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$