MMs03945774 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.2925 -0.7612 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2533 -1.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 -0.7836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 -2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 -3.0223 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5329 -3.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 -2.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 -4.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2089 1.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4885 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4755 -2.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7680 -3.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0735 -2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7939 -0.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5144 2.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1124 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2820 3.6618 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3972 4.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7519 3.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 2.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 -1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 0.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 0.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2782 -3.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3592 -4.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 -5.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7591 -4.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 -2.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7577 -4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1075 -2.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1308 -0.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2494 5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6829 2.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4774 1.5495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7167 0.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 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 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 22 1 M END