MMs03473794 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.2966 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 -2.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7845 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0908 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3971 1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6889 -0.7876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9951 1.4582 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2869 -0.7959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8850 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1913 1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8946 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 1.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8995 3.6957 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.4927 2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4831 -0.8127 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5223 -1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -1.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 0.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 0.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 -1.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 -1.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 -2.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7807 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -2.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7980 1.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6850 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2831 -1.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8811 -2.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5559 2.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5300 1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 39 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 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 25 44 1 0 0 0 0 M END