BS3DW8 -OEChem-04012113022D 43 45 0 0 0 0 0 0 0999 V2000 8.3673 1.0896 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.9324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 2.7844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -1.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -2.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 1.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 -3.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6565 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -1.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 -2.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 2.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 -0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 -3.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1747 -0.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 -3.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -1.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2632 -2.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6168 2.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 3.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 17 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 15 2 0 0 0 0 11 28 1 0 0 0 0 12 16 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$