MMs01406259 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 54 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 0.7593 -1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -1.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -2.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -3.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0373 -5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5372 -5.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 -3.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5186 -2.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -1.2613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5185 -2.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 1.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9811 2.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2404 1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9810 2.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4810 2.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2403 1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4997 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2590 -1.2182 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.2216 3.9994 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9172 4.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5260 3.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9623 5.3038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4622 5.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2029 6.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2215 4.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -0.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3653 -1.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 -2.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -3.8895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4448 -6.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 -6.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4778 -3.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6517 -0.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 0.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6997 1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3736 3.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4403 1.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1071 -0.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3548 6.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6622 5.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2464 6.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7954 7.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1594 7.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1867 3.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8290 2.9861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2564 4.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 40 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 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END