B3QUS1 -OEChem-04012112352D 29 30 0 0 0 0 0 0 0999 V2000 3.9030 1.4310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6096 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -1.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 2.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 0.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 1.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -0.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6025 -2.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$