MMs01475596 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 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 0.7549 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7648 -3.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -3.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0098 -2.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 -1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -5.1848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -5.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8294 -6.8019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -7.5568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4147 -6.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 -4.2174 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9799 -4.5237 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1390 -4.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 -5.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9794 -3.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5104 -1.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4477 -3.7115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4472 -2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9783 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9778 -0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4461 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9151 -1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9156 -2.8993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4456 0.7626 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 1.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1902 -2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -4.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 -2.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -0.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -6.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8239 -7.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5887 -5.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8229 -4.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8036 -0.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6026 1.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0898 -2.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END