BA8T2M -OEChem-04022101302D 45 48 0 1 0 0 0 0 0999 V2000 5.2628 0.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5361 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 5.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 2.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 3.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -1.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -0.0955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6448 0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9538 -0.0955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4538 1.4434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5416 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7218 4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3414 0.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 1.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5662 0.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 1.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9843 -1.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -1.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -2.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 2.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9005 -1.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 4.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 4.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1848 4.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 3.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 37 1 0 0 0 0 3 18 2 0 0 0 0 4 21 2 0 0 0 0 5 7 1 0 0 0 0 11 5 1 1 0 0 0 5 16 1 0 0 0 0 14 6 1 6 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 2 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 8 38 1 0 0 0 0 9 19 1 0 0 0 0 10 22 1 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 6 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 17 36 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 22 24 2 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$