BB8P1W -OEChem-04022100152D 38 40 0 0 0 0 0 0 0999 V2000 4.4487 -1.1012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5911 0.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5911 -1.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 0.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.5449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 1.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 2.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 2.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 0.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 0.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4453 0.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6482 0.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 -1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -2.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6356 -1.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6356 -0.1865 0.0000 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 $$$$