MMs00030158 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 54 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 0.7427 -1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7281 -3.9013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3281 -4.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -3.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 -2.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -2.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 -2.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 -5.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -5.1961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 -5.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 -3.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 -6.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7865 -6.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5438 -7.7688 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1438 -8.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8011 -9.0720 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2011 -10.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3011 -9.0805 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1011 -9.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 -7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5585 -10.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -10.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5584 -10.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9643 -11.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0438 -7.7603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7864 -6.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0291 -5.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2864 -6.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0291 -5.1454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.5291 -5.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2718 -3.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5145 -2.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 0.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 -2.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 -1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 -0.1117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 -1.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9382 -3.3642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5649 -6.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3806 -5.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 -7.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6289 -8.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6496 -8.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0847 -7.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4163 -6.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3273 -6.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6590 -5.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7717 -3.8253 0.0000 O 0 5 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 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 35 2 0 0 0 0 34 54 1 0 0 0 0 M CHG 1 54 -1 M END