B2VGP3 -OEChem-04012116262D 44 46 0 0 0 0 0 0 0999 V2000 4.5981 5.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 5.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 6.6550 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 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 5 12 1 0 0 0 0 5 23 2 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 21 2 0 0 0 0 9 22 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 11 23 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 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$