BTU97O -OEChem-04012119012D 32 32 0 1 0 0 0 0 0999 V2000 5.4641 -0.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 30 1 0 0 0 0 2 10 2 0 0 0 0 3 17 1 0 0 0 0 3 32 1 0 0 0 0 4 17 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 26 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 16 1 0 0 0 0 15 29 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$