B7EMW3 -OEChem-04012120022D 43 46 0 0 0 0 0 0 0999 V2000 5.2730 -1.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 0.7701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 2.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2778 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1799 2.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -0.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -0.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 0.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8393 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7052 0.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2754 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7180 2.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 -2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 -0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 -2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 15 2 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 16 2 0 0 0 0 11 13 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 13 19 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$