BQCP72 -OEChem-04022107273D 35 36 0 0 0 0 0 0 0999 V2000 -5.3113 -0.9866 1.2853 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 1.2297 1.7177 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7376 -0.9030 1.4311 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3769 0.4884 -0.1129 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5508 -2.2063 -0.8651 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 1.9492 -0.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 1.9535 0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 -0.3173 -0.6022 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 -0.0843 -1.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 0.0003 -1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.0129 -1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 0.9649 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -0.8854 -1.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 0.1579 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -0.8316 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 1.0436 0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.8066 -0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1235 -0.0649 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1909 -2.1937 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3741 0.2412 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 -2.4162 1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 1.3291 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4524 3.3511 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2903 -0.4595 -2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2266 0.9249 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 1.6590 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -1.6426 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 0.6771 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1914 1.8011 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5753 -1.5015 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 -2.9945 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7467 -3.3497 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3262 3.5403 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5262 3.9053 0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 3.6761 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 11 2 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 21 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$