B4GM0A -OEChem-04022105282D 44 45 0 0 0 0 0 0 0999 V2000 4.5981 3.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 6.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 8 25 2 0 0 0 0 9 25 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 25 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$