MMs02579339 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 -0.7412 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 -2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 -1.2735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 1.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2410 1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2409 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4821 2.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9821 2.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7409 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4997 0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4820 2.6897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9820 2.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7408 1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2408 1.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9819 2.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2231 4.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7232 4.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9644 5.2979 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 -3.8817 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 1.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5753 -3.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 1.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3658 -2.3087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 -1.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1303 -0.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4069 -0.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1068 -0.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 3.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3751 3.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 3.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1479 0.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8478 0.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1819 2.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8161 5.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 M END