MMs01454216 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 0.7433 1.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5135 2.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 3.9010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3298 2.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 5.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2702 3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7702 3.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5269 5.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7836 6.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2837 6.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 3.9087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 5.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 6.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 5.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 6.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7162 6.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 5.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 7.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8423 9.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9518 10.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2547 9.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9504 7.9976 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6218 10.0836 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 -0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 5.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2415 6.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9675 3.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3648 2.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7269 5.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 7.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6891 7.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 2.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2707 4.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6027 4.8149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 6.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 7.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6672 9.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 11.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M END