MMs01306431 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 1.3009 -0.7468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 -2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0064 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -1.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 0.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 3.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4896 2.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4933 0.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7868 3.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7831 4.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 2.2724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3849 3.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 4.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5315 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9916 7.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 7.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4644 6.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0044 4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7576 3.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7567 2.4189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0722 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8154 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7031 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2754 -1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9599 -0.0540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0186 -3.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3341 -4.9133 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5522 -3.7624 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.4851 -3.1314 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.6121 1.4989 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 0.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -2.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 -3.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 -2.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8508 2.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1858 4.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 0.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 -1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3584 5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1864 7.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8260 8.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6376 6.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7267 4.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5628 2.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 -1.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3856 -2.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 24 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 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 35 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 M END