MMs03106531 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 52 0 0 0 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 1.2931 -0.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6099 1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9148 2.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2079 1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4891 -0.8014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 1.4383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1108 2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4038 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 -0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 -0.8219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6850 -0.8425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2830 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0018 1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7088 2.1574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3068 2.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5998 1.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9048 2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9166 3.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6236 4.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3186 3.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2216 4.3560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.6732 -2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8732 -2.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9129 -3.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4129 -3.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6082 -1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5754 2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 3.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2518 2.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8816 -1.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4796 -2.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1203 3.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5903 0.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9392 1.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6331 5.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2842 4.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7886 -3.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6952 -4.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5437 -3.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6119 -4.8307 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 30 31 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 M END