MMs01549572 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 47 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 1.3023 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -0.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4984 -0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5051 -2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2093 -2.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8074 -2.9656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1031 -2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0965 -0.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4054 -2.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7012 -2.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0035 -2.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0101 -4.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2992 -2.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2926 -0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5883 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8906 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8973 -2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6015 -2.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1996 -2.9197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4953 -2.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7976 -2.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4887 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 0.0803 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 0.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5351 -1.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 -1.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1908 1.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -0.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -4.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 -2.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8127 -4.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6382 -3.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1808 -3.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2507 -0.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5830 1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6068 -4.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2049 -4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6714 -0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8941 0.4654 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 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 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 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 23 1 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 26 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END