MMs03130885 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 62 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 1.2957 -0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 -2.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0114 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6373 0.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 -0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 -2.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 -0.7784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5311 -1.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4853 -2.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 1.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 -0.7898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6879 -0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9968 1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7011 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3988 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2991 2.1874 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.3057 3.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5949 1.4317 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6046 1.4886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 2.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 3.7443 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2762 3.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 4.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0197 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0263 5.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 6.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 6.7556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3087 7.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5718 6.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 -1.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 -2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 -3.4557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -2.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 1.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 -2.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -3.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6853 -2.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0846 -1.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6827 -2.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0269 -0.6614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7063 3.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3622 2.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6465 2.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 3.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6596 5.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 5.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 3.9045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 7.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6136 5.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 4.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 8.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 8.2556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 8.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 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 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END