MMs00445072 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 1.3054 0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 2.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 -0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 -1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 -1.5372 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0587 -0.4247 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9145 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 -1.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5517 -0.2806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4231 -1.5016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7337 -0.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9161 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5379 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0309 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9023 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2805 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8014 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3083 -3.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 -1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 1.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 1.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8309 1.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2834 -2.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0491 0.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8408 0.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5283 1.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0967 -0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9776 -3.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2901 -3.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6727 -4.0876 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 39 -1 M END