MMs01830764 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 -1.5000 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 2.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2484 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9969 2.6017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2484 1.3054 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 -1.2927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7516 -1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7516 -1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0031 -2.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 -2.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2516 -1.2855 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2497 0.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2534 -2.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7516 -1.2837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5031 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9951 -2.7368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3087 -4.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0106 -4.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8947 -3.9529 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 1.2945 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6013 -1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 -1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 3.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 -2.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8987 1.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5987 1.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6044 -3.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9044 -3.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3503 -0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4056 -4.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8866 -6.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M END