BQBO89 -OEChem-04022101443D 37 39 0 0 0 0 0 0 0999 V2000 1.1107 1.0898 -1.9660 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 0.0000 -2.7287 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 2.2624 -2.6686 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -1.4371 1.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -3.6624 -0.7006 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 -3.6304 -0.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 1.5666 -0.7487 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2102 0.4149 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0565 1.2036 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0972 0.5820 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 -0.9670 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -0.8100 0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 -1.5783 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 2.5957 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9433 1.3707 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 3.3638 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7658 2.7525 1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6185 0.5943 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5722 -3.0232 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 -0.5883 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 0.8336 1.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -1.5316 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -0.1095 2.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -1.2922 2.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -1.5744 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 3.1431 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 0.9462 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 2.5282 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 4.4388 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4233 3.3509 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4785 -0.7874 -1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 1.7508 1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 -0.8513 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 -2.4493 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 0.0767 3.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 -2.0259 2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 -4.6343 -0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 4 12 1 0 0 0 0 4 33 1 0 0 0 0 5 19 1 0 0 0 0 5 37 1 0 0 0 0 6 19 2 0 0 0 0 7 18 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$