MMs00485461 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 64 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 1.2955 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 -0.7682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8936 0.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2031 1.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4916 -0.7803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0364 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7941 -1.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 2.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1107 3.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4132 4.4514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4202 5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7227 6.6953 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.7592 6.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7283 7.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0897 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0827 -2.2924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3782 -3.0485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3389 -3.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6807 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9762 -3.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2788 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9692 -4.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3712 -4.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -5.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 1.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0364 0.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 -1.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 -1.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 -2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 -3.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 -2.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 0.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 0.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -1.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6184 1.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3960 2.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5088 1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2864 2.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9280 3.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7055 4.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4496 3.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0406 -2.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9137 -1.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4563 -1.3889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0155 -3.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8739 -3.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3208 -1.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6836 -1.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7692 -4.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9636 -5.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1692 -4.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1247 6.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1303 7.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0827 6.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0686 -5.2924 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8866 -2.2682 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2866 -2.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -3.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 -2.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 62 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 48 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 M CHG 1 17 1 M CHG 1 61 -1 M CHG 1 62 1 M END