MMs01324662 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 -0.7573 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 2.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 1.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2051 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 -2.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2717 -3.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7717 -3.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5144 -2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0144 -2.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7717 -3.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7571 -1.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2571 -1.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2425 1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 0.0756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2425 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4852 2.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2280 3.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7279 3.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4852 2.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7425 1.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4997 0.0924 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17.9852 2.6988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.4706 5.2885 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 -5.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 3.9097 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9572 1.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 3.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1058 -1.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3368 2.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 -2.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 -4.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3513 -0.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0553 -2.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3870 -1.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1056 -0.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2853 2.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6221 5.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9348 -6.1966 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 33 48 1 0 0 0 0 M END