MMs02527879 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -1.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 -2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5101 -2.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7651 -3.8825 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.2550 -1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0100 -2.5630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5100 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2550 -1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7550 -1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5100 -2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7651 -3.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5201 -5.1436 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.0100 -2.5397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9999 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2549 -1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1319 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5603 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5661 -1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1413 -2.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 1.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 0.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 1.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5959 1.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6141 -3.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4141 -3.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6509 -0.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3509 -0.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6691 -4.8949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6140 -3.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7566 1.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5283 0.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5396 -2.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 M END