MMs01888779 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.5000 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7478 1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 -2.5955 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8837 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4227 -2.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3095 -0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 0.7642 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3462 0.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8796 1.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4136 2.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8903 1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1024 1.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4737 1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6857 2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5264 3.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1550 4.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9430 3.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7384 4.5753 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.6221 3.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8546 5.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9504 5.4590 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 18.0475 4.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 2.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 2.3457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -2.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 -1.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 -0.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7550 0.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2210 0.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6012 0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 1.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0275 5.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8459 3.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 1.6480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3915 2.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 15 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 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 27 -1 M END