BC1J9V -OEChem-04022107272D 57 59 0 1 0 0 0 0 0999 V2000 5.1350 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 -1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 -1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 -2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 15 2 1 6 0 0 0 2 17 1 0 0 0 0 11 3 1 6 0 0 0 3 40 1 0 0 0 0 12 4 1 6 0 0 0 4 41 1 0 0 0 0 13 5 1 1 0 0 0 5 42 1 0 0 0 0 6 16 1 0 0 0 0 6 43 1 0 0 0 0 7 29 2 0 0 0 0 8 32 1 0 0 0 0 8 57 1 0 0 0 0 9 32 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 1 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 2 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END $$$$