MMs01662153 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 50 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 1.2969 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -0.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 -2.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 1.4778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5016 2.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0996 2.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1039 3.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3965 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6977 2.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9946 1.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2958 2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5927 1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2872 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8853 -0.7981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 -0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1907 1.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4834 -0.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 1.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -1.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 -1.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0656 -1.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -1.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 -1.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2617 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2014 -1.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9766 0.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2755 3.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7329 3.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 1.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 2.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6226 0.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1653 0.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2992 3.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6336 2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2838 -1.9907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9494 -0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8819 -1.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8804 -1.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5209 -1.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0863 0.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END