BP89EX -OEChem-04022105122D 51 54 0 1 0 0 0 0 0999 V2000 3.4782 0.0396 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 1.2294 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.1017 -2.5727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.0341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.5341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1697 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5018 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7910 -1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4589 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -1.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 2.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0802 -2.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5838 0.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7620 0.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1688 0.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 0.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9549 -0.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 -2.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8414 -1.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 -0.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 -1.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7919 -2.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 1.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 2.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3964 3.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 3.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6876 -3.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9523 -3.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 -2.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2080 -2.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 2.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 2.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -0.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 3 40 1 0 0 0 0 4 19 1 0 0 0 0 4 21 2 0 0 0 0 5 21 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 16 41 1 0 0 0 0 17 20 2 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$