MMs02698827 MOE2007 2D CORINA 3.40 0006 02.08.2006 35 36 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 -0.7429 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7570 1.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 -1.3359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2428 -1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0492 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9857 -2.6472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4857 -2.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2427 -1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7427 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4856 -2.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7285 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2285 -3.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4715 -5.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7144 -6.5483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 3.8848 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6057 -1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 1.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 3.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -1.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3627 2.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 -1.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1371 -2.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 -3.6831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6484 -0.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3484 -0.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 -2.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3228 -5.0092 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 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 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 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 1 0 0 0 0 21 22 3 0 0 0 0 M END