MMs01392861 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 -0.7425 -1.3033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3425 -0.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -2.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2574 1.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7573 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5148 2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0148 2.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7573 1.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2573 1.2344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.2659 2.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2487 -0.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7573 1.2258 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -13.3632 2.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 -2.5980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5149 -2.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7574 -1.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5148 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 -3.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -3.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0148 -2.5636 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 -0.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 0.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 1.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2848 -1.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6252 -0.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1321 1.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4725 2.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9208 3.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6207 3.5821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5939 -1.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8939 -1.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6515 -0.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3514 -0.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3783 -4.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 -4.9268 0.0000 H 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 4 1 0 0 0 0 2 20 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 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 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 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 42 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 1 18 -1 M END