B57HBV -OEChem-04012112142D 42 45 0 0 0 0 0 0 0999 V2000 8.4365 0.6080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6314 3.7262 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 -0.1878 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5325 3.1049 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 -3.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 -1.9035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.4911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1046 2.1829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -2.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0933 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2996 1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -2.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8376 2.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2501 0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7881 2.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9944 1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 1.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 1.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 -0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -2.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 -3.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5837 1.2659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6168 -3.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 6 23 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 18 2 0 0 0 0 9 17 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 19 2 0 0 0 0 15 32 1 0 0 0 0 16 23 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 20 24 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 28 41 1 0 0 0 0 M END $$$$