MMs03916207 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 50 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 1.2966 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2918 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0084 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 0.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 -2.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 -0.7710 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4927 0.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 -2.2710 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4879 -3.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 -3.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7845 -3.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 1.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0908 -0.7794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0336 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3923 -1.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3971 1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6986 2.2122 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6889 -0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 -2.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2869 -0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 1.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6441 2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2574 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 -2.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -3.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 1.1832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5898 -1.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 -3.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7831 -4.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7806 -4.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0869 -1.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2147 1.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9903 2.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7024 3.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 1.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5126 -1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0553 -1.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8850 -0.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6029 1.4916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 2.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9261 -0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 49 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 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 20 1 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 28 49 1 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 M END