BO2DW9 -OEChem-04022101162D 57 58 0 1 0 0 0 0 0999 V2000 7.1962 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.0950 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 6.3301 1.0950 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 4.5981 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5950 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 5.4641 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -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 4.5981 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4050 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 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.6776 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 5.7932 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -3.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 18 1 0 0 0 0 3 47 1 0 0 0 0 4 22 1 0 0 0 0 4 31 1 0 0 0 0 5 23 1 0 0 0 0 5 32 1 0 0 0 0 6 24 1 0 0 0 0 6 33 1 0 0 0 0 7 18 2 0 0 0 0 8 30 1 0 0 0 0 8 57 1 0 0 0 0 9 30 2 0 0 0 0 12 10 1 6 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M END $$$$