MMs02743654 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 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 -0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2431 -1.3110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4862 -2.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0138 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7431 -1.3189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 0.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 -2.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 -1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9861 -2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 -2.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2430 -1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 -1.3507 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7350 -2.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7509 0.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2430 -1.3587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 -0.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2429 -1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7429 -1.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4998 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7567 1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2567 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9997 -0.0955 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9861 -2.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -3.9567 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4292 -3.9567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7366 -4.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 -5.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7120 -6.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8320 -5.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2979 1.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 0.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 -3.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2716 -3.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 -1.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -2.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 -3.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3806 -3.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0806 -3.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 0.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 1.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 0.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2145 1.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6374 -2.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3374 -2.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3622 2.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6622 2.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9094 -1.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9012 -3.4379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7398 -3.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -3.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2777 -5.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 -6.6648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0015 -7.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5995 -7.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END