B5BU4M -OEChem-04012117372D 38 40 0 1 0 0 0 0 0999 V2000 5.5301 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -2.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -3.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3961 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7622 2.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7622 1.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 1.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 -0.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 0.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 3.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4522 3.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 2.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2252 0.7813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0722 0.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2991 1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -0.6486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 -2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -1.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 32 1 0 0 0 0 8 3 1 1 0 0 0 3 33 1 0 0 0 0 4 15 1 0 0 0 0 4 20 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$