BA6QT9 -OEChem-04012115132D 46 49 0 0 0 0 0 0 0999 V2000 7.1962 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 2.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 -0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 -2.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 -1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 -2.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9084 2.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5117 3.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 -1.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7116 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5478 -2.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2149 -1.7298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1330 -2.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 27 1 0 0 0 0 2 46 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$