MMs01654734 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -0.0080 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -2.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8851 -2.2707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 -1.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 -1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4831 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0971 0.7015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7307 2.4965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4738 1.1935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4642 0.0841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -2.2430 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -3.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0541 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -2.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -4.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9251 -5.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 -4.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2121 -2.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5231 -5.2153 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 -3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 -3.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8787 -3.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1601 0.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5055 1.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8221 -2.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4767 -3.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3744 3.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -5.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9315 -6.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2481 -2.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 -1.0292 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 18 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 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 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 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 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END