B3R2DQ -OEChem-04022107023D 36 36 0 1 0 0 0 0 0999 V2000 -2.7318 -0.9202 -1.5894 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7593 1.8730 -0.9202 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 2.4167 1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4422 -3.0108 1.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 -0.5465 0.3485 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.6509 -1.2210 -0.3480 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5958 -0.2330 -1.0651 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0896 0.8800 -0.1392 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9200 1.5503 0.5792 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0003 0.5222 1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4827 -0.0668 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 -2.1473 0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -0.0393 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 0.4394 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2959 0.5034 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 -1.9018 -1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 0.2125 -1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8322 0.5048 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 2.1864 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 0.0730 2.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8424 1.0417 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 0.9111 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -0.7555 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -2.7628 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9105 -1.5981 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -1.0427 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 0.6254 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -1.6116 -2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 2.2189 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6944 2.8423 2.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 -0.2364 -1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 1.4339 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9235 -3.5968 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2807 1.1996 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 0.8455 -0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 -0.4817 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 28 1 0 0 0 0 2 8 1 0 0 0 0 2 29 1 0 0 0 0 3 9 1 0 0 0 0 3 30 1 0 0 0 0 4 12 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 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 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 M END $$$$