B1WCL8 -OEChem-04012112532D 48 50 0 0 0 0 0 0 0999 V2000 6.8671 0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 2.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3684 1.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4114 -0.9324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0112 2.7844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4114 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 -1.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9950 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7005 -2.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0112 -3.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3684 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7005 1.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9897 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3469 -1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6575 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1082 -1.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7015 -2.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6150 -0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5971 -3.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1758 -0.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1823 -3.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7609 -1.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2642 -2.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6179 2.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5971 3.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 18 2 0 0 0 0 3 24 2 0 0 0 0 4 28 1 0 0 0 0 4 48 1 0 0 0 0 5 28 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 24 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 34 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 25 1 0 0 0 0 21 39 1 0 0 0 0 22 26 2 0 0 0 0 22 40 1 0 0 0 0 23 28 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$