MMs01985529 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 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 -0.1753 -1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0271 -2.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3778 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 -0.0101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7676 -2.4205 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2748 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8678 -2.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1715 -0.2912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6612 -0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -1.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7439 -2.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6406 -0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0476 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5579 0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1303 -0.9925 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9550 -2.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3057 0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6201 -1.1678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5167 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9237 1.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8204 2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3101 2.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9032 1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0065 -0.1407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 0.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -1.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8869 -3.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 1.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 0.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5368 -2.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2183 -3.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7649 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0835 1.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0945 -2.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3460 3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0275 3.4016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0949 0.9215 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 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 33 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 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 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 36 1 0 0 0 0 18 37 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 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 M END