BB42OT -OEChem-04012113572D 32 32 0 1 0 0 0 0 0999 V2000 3.7320 0.4400 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.7320 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 28 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 17 2 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 17 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$