MMs01453768 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 0.7411 -1.3041 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4589 -1.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0177 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 -3.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2234 -3.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -2.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -1.3144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2587 1.2632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6321 0.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0618 0.4872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 1.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6486 2.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1949 3.8902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2915 2.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1449 4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3644 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7306 4.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8772 3.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6577 2.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2433 2.4951 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 -0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9317 -1.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9422 -3.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -4.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 -5.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 -5.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3482 -4.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -3.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9067 -1.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 -1.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -0.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0039 4.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0228 4.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0520 4.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2472 6.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 5.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 1.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 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 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 44 1 0 0 0 0 M END