MMs03086375 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4866 2.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7567 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2567 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 1.2797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 1.3183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7432 1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2432 1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2566 -1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7566 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0133 -2.5517 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -10.4999 0.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2432 1.3569 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.5460 0.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9403 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9865 2.6598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 2.6212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8694 3.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 4.9978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2818 4.2545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9775 2.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1053 -1.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 3.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 3.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 -0.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7144 -1.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4406 1.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8378 2.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 -2.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3811 3.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1865 2.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 4.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7851 1.8980 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 18 19 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 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 40 1 0 0 0 0 M END