BOBT51 -OEChem-04022102132D 40 42 0 0 0 0 0 0 0999 V2000 3.2601 5.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 5.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1027 -2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -1.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8815 -3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 -3.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 -1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -2.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 -5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -2.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -5.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 -3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 2.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 2.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 -5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 4.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 23 2 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 16 2 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 15 21 2 0 0 0 0 15 33 1 0 0 0 0 16 21 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 40 1 0 0 0 0 M END $$$$