MMs00979705 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 0.5649 -1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6663 -4.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -5.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0224 -2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 -2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -1.0280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9151 -1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4799 -2.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8360 -0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3352 -0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8453 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0870 2.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6705 3.5943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1713 3.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6613 2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4195 1.3914 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3299 4.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4977 1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7613 0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1719 -0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3189 0.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0553 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6447 2.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7295 0.1131 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1117 0.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 1.1117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 -0.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6084 -1.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 -2.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 -0.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -1.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4423 -3.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -4.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4711 -5.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 -3.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -5.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 -6.7111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6925 -6.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3908 -0.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9617 -1.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1398 -3.3540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 -2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9773 0.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0084 -1.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3233 5.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6567 5.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3365 4.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8437 -0.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3828 -1.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9729 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4338 3.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1014 -3.1904 0.0000 N 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 55 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 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 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 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 53 1 0 0 0 0 26 54 1 0 0 0 0 M END