BB5MR4 -OEChem-04022109412D 43 45 0 1 0 0 0 0 0999 V2000 2.6200 0.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 0.9224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7983 -0.3824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -3.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -0.0776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1200 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -1.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7983 1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1089 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0874 2.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4411 2.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3981 3.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 3.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 4.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 1.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -1.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3846 -1.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -0.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -1.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3846 1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -2.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -1.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 0.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -2.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -3.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -3.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5015 1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 2.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0048 3.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3377 4.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 4.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 36 1 0 0 0 0 2 13 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 11 2 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 1 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 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 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$