MMs01435756 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 63 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 1.2971 -0.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 1.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 -0.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4932 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4893 -2.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1883 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8913 -2.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7864 -3.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0913 -0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3962 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 2.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1030 3.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 4.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6894 -0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2874 -0.7871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2835 -2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5806 -3.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9825 -3.0337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9794 -4.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6855 -2.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3845 -3.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8855 -0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8816 -2.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1787 -3.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4797 -2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4836 -0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 1.4663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 0.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 -1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1993 1.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0136 -0.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1852 -4.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 -2.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -4.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6062 -2.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5774 1.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8095 2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6857 1.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9179 2.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2842 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5163 4.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 5.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8194 0.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3621 0.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3612 -2.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1756 -4.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5173 -2.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5243 -0.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1896 1.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0350 2.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9566 2.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 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 10 2 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 44 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 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 M END