MMs01406638 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 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 0.0005 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0388 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2983 -2.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 -3.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5976 -1.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8964 -2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1957 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4945 -2.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7938 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0926 -2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3918 -1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3923 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6916 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9904 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9899 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6906 -2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6902 -3.7536 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -14.2897 0.7456 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -2.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 -1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 -0.0074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 0.3050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4197 1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9869 1.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9724 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -2.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -3.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9003 -3.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 -2.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4397 -1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1248 -3.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6675 -3.1707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4941 -3.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0227 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5654 -0.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3209 -3.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8636 -3.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3533 0.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6919 1.9464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0290 -2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 -3.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 -4.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2715 -4.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0775 -2.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2424 -0.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 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 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 M END