BKB79F -OEChem-04022105012D 38 40 0 0 0 0 0 0 0999 V2000 5.5443 1.0053 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 2.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4379 1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 0.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 3.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 0.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 3.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7479 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 3.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 38 1 0 0 0 0 4 21 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 6 19 2 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M END $$$$