BGDQ31 -OEChem-04012113463D 28 27 0 0 0 0 0 0 0999 V2000 -4.4752 1.5524 1.2715 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1371 0.1179 0.0256 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 0.5218 -1.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2131 -1.0907 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8019 -0.5752 0.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 1.3298 -0.4352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.7631 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 0.0253 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 0.0947 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5936 -0.7975 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -0.6785 0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6932 0.1682 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0551 0.0950 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 -1.6515 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0394 -1.1144 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 0.3670 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 0.9267 0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 0.4335 -1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 0.9965 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -1.6674 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -1.1817 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5194 -1.5533 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4717 -1.0138 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7709 1.0554 -1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1657 -0.8752 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 -0.6044 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 0.9620 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 0.3979 -0.9742 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 10 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 M END $$$$