MMs01458588 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 0.7543 -1.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 -1.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2543 -1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5086 -2.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0086 -2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2629 -3.8896 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7543 -1.2766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7456 1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7456 1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2456 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 0.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9913 2.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2370 3.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9827 5.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4826 5.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2370 3.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4913 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7370 3.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4826 5.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7283 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2283 6.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 0.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 -0.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 1.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0965 1.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 -3.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3577 -2.3138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 -1.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1289 -0.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0370 3.9305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3792 6.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0947 1.6057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4044 4.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3993 6.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8546 6.9617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5160 7.7286 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 33 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 34 1 0 0 0 0 13 35 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 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END