MMs01688657 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 55 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 1.3003 -0.7479 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2610 -1.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 -0.7436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 -2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -2.9957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5638 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 -2.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 -4.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0085 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9483 -1.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 2.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7893 3.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0896 2.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3948 -1.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6901 0.7692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6876 2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9854 3.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2857 2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9830 4.5213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2882 0.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9928 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 1.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 0.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 -1.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8252 0.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3679 0.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 -2.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3131 -3.3706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 -4.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 -5.6957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 -4.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4513 2.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7873 4.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1278 2.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7962 -1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5062 2.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2754 3.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0212 5.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9428 5.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0296 -0.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8899 -0.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3264 1.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6865 1.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7928 -1.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9948 -2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1928 -1.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END