MMs01644297 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 39 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 1.2952 -0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 -0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4836 -2.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8018 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1047 2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3999 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0893 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7027 2.1901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9979 1.4334 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 0.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7545 2.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2931 0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4422 -0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9078 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6645 0.1600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.6665 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9859 2.7455 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.5109 -2.5086 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6053 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 0.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 -1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 0.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 0.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1172 -1.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -1.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7657 2.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1108 3.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4283 -0.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0832 -1.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7089 3.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5463 -1.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 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 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END