MMs01678546 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 56 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 0.7439 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -1.3096 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6439 -0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -2.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 -3.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9755 -5.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4755 -5.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2316 -3.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4877 -2.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2438 -1.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4877 -2.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8873 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3117 0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3046 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8759 -1.2600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 -1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5293 1.5727 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4053 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6534 2.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7470 2.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5972 3.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1144 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4305 2.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3857 -1.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 -2.4853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0364 -0.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 1.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9636 0.5908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0316 -3.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 -6.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0706 -6.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4316 -3.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 -0.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 0.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7139 1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8041 -2.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4815 -2.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2239 -0.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7912 4.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4774 5.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4032 3.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6212 0.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2084 1.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6077 2.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5735 2.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0650 3.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 2.2303 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 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END