B78IVK -OEChem-04012113522D 38 40 0 0 0 0 0 0 0999 V2000 4.5981 4.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3450 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 2.8660 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6550 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 2.0000 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1550 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 3.1951 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 30 1 0 0 0 0 5 16 2 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 23 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 25 3 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 22 2 0 0 0 0 19 32 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$