MMs01461945 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 47 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 0.0062 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0331 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 -3.7446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0185 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2836 -3.7553 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2836 -4.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 -2.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 -4.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -4.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 -5.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -3.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -4.4786 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5106 -3.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6612 -2.2308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 -1.9129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8825 -3.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8834 -4.3277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2013 -5.7936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3749 -3.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9906 -4.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4830 -4.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3597 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7440 -2.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2516 -2.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6207 -1.0759 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7141 -1.1153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 -2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 -5.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -5.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1838 -3.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6163 -5.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9753 -5.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1374 -2.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6801 -2.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3128 -6.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3441 -6.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2893 -5.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9756 -5.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5537 -3.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 -1.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 32 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 33 1 0 0 0 0 6 34 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 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 40 1 0 0 0 0 20 41 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 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 45 1 0 0 0 0 M END