MMs02497878 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 59 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 -1.5000 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2531 1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2469 1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9939 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4939 2.6087 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8939 1.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4939 2.6158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7408 3.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2408 3.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4877 5.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 5.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 6.5076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 7.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7347 6.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4877 5.2138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4816 7.8119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7531 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5061 2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.0142 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4000 -1.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2530 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0061 2.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5061 2.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7469 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 -2.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 -1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -1.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1086 3.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 3.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 0.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 0.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 3.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 3.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1203 0.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4581 0.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8755 0.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 2.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 7.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 8.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 -1.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6264 1.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9642 2.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0419 0.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3797 0.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2592 3.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2469 -1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8445 -2.3591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8616 4.9155 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 M END