MMs01381842 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 1.5000 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4873 2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7564 1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7691 3.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4745 5.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2309 3.9081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7309 3.9154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7235 5.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7382 2.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 3.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9872 2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4872 2.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2308 3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4745 5.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9745 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2181 6.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4617 7.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7181 6.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 7.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9617 7.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7180 6.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7053 9.1556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2053 9.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9616 7.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4616 7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2052 9.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4489 10.4730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9489 10.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1925 11.7610 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7308 3.9448 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 -1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 -1.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 1.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9563 1.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 3.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 4.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1551 5.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 6.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 6.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 5.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 1.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0923 1.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3694 6.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 8.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6643 9.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1002 10.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3667 6.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0667 6.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4052 9.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 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 9 44 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 50 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 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 M END