MMs03696786 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 0.7406 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0187 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 3.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 3.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9812 2.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2406 1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 2.6304 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 5.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0374 5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5374 5.1852 0.0000 N 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 -1.5187 2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 1.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7593 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5186 2.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 3.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9835 2.2432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8811 3.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1296 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7549 0.1501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4232 -0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7276 0.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0212 -0.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0104 -1.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7060 -2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4124 -1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 0.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5925 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 -0.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 2.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8481 0.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 5.2263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 6.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9187 2.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 0.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3854 4.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7362 1.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0647 0.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0453 -2.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6973 -3.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3688 -2.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END