B7CKG1 -OEChem-04012118502D 45 47 0 0 0 0 0 0 0999 V2000 8.9282 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -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 4.5981 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9050 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 5.4641 -0.5950 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 9.7942 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5950 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 4.5981 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7150 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 10.6603 2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 3 27 1 0 0 0 0 3 45 1 0 0 0 0 4 27 2 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 34 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$