MMs01845446 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 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7481 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7519 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0089 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9978 -1.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2519 1.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7519 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7481 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2481 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7519 1.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7481 -1.3180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2481 -1.3202 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.4481 -1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 -0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9961 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2442 -3.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4961 -2.6226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2442 -3.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7442 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6277 -2.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0536 -3.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0513 -4.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6241 -5.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0018 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 -2.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 -2.3447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 2.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 2.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1249 1.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 2.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 2.4666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8802 1.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 1.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 -1.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5379 -2.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1198 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4547 -2.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1465 -2.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0383 -0.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6015 1.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9616 0.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0977 -1.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1159 -4.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4508 -5.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2585 -1.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0254 -2.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0211 -5.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 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 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 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 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 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 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 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 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 M END