MMs02450761 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 52 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 0.0069 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 -2.2559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2495 -2.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 -1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 -2.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1892 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4848 -2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4779 -3.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7873 -1.5357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0829 -2.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0829 -1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0760 -3.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3716 -4.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3853 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 -0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6809 -2.3035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9834 -1.5595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.9834 -2.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9902 -0.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2927 0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2996 2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0040 2.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2790 -2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5814 -1.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 -3.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 -2.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9046 -1.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 -3.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 -0.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9648 -0.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7928 -0.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8952 -3.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6604 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3661 -5.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6754 -3.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8075 -0.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5850 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6980 -0.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4754 0.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3183 -4.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6020 2.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2721 -3.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 -3.7559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 -4.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3086 -4.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6075 4.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 50 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 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 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 47 50 1 0 0 0 0 48 53 1 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 M END