BNL54I -OEChem-04022107462D 46 49 0 1 0 0 0 0 0999 V2000 2.8602 -0.0396 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -2.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6462 2.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.0153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.0055 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9942 0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9781 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7702 0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7783 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8762 2.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6501 3.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -2.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -3.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -2.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 0.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3927 -1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 0.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 1.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 -1.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 -0.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 0.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 1.8398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3035 0.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8738 2.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 -2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2701 3.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6524 3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0301 3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -2.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -2.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 13 2 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 19 2 0 0 0 0 15 18 2 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$