MMs00527783 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 -1.1414 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8692 -2.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 -2.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 -1.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4136 -0.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1099 0.9429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 0.4410 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0216 -0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 1.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 -0.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 -2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7641 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4920 0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0784 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1777 -1.5663 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1777 -0.3663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4146 -0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6039 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0424 -1.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1020 -3.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6026 -3.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 -3.4216 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 1.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 -0.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7621 -4.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 -2.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 1.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 1.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 -1.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8939 -0.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 2.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2961 -2.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8405 -3.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4051 1.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8607 2.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6360 0.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2413 0.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7809 -4.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4225 -3.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6958 -4.2013 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 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 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 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 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END