MMs00970113 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 0.7478 -1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -2.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 -3.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7433 -3.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -2.5955 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -1.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2522 1.2901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0522 1.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5044 2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2567 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7567 3.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5044 2.5852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0044 2.5827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0070 4.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 1.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5044 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3882 3.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8140 3.3262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7860 4.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8114 1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3840 1.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 0.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 1.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -0.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 -2.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -4.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 -4.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 1.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5839 1.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 3.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1297 4.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 5.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5503 5.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8850 4.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5418 0.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8791 0.8751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0193 4.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7810 1.1192 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 34 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 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 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 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 M END