BB8P1W -OEChem-04022112583D 38 40 0 0 0 0 0 0 0999 V2000 -3.7627 -2.4097 1.4526 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 1.9365 0.2762 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0993 0.1010 0.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 -0.9525 -0.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9811 0.2589 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 0.7268 -0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9051 1.3165 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 2.0896 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 2.0405 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3574 -1.0790 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3983 -1.2106 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 -1.0522 -1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3238 -0.7791 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 0.5344 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2131 -1.8499 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 0.7346 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -0.3135 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 -1.6196 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8974 1.5274 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 0.2085 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8285 0.8303 -0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7131 0.0364 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 0.9331 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2766 2.0286 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7455 2.8833 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2299 2.2821 -1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 1.5139 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 3.0456 -0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -0.5334 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4609 -2.2269 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8296 -1.6329 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3018 -0.3330 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 -2.0472 -1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 1.3711 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8978 -2.8713 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2012 -2.4425 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 1.8587 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 2.0160 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 M END $$$$