MMs03084585 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 68 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 0.9912 -1.1258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2294 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 -1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8928 -0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 -2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3601 -3.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 -3.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 -2.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 -2.5651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 -5.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2514 -1.4978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1374 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6796 0.3516 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5282 1.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 2.9266 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5285 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4856 -3.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 -1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0478 -0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5234 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3102 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8096 1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5221 0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7353 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2359 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2007 -2.2211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4166 -3.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4478 -2.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9472 -2.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0215 0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8084 1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5964 2.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8839 4.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 -0.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8977 -2.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 -3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9007 0.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 0.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9007 -0.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1372 -4.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 -3.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 -6.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3369 -0.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 1.0965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3004 2.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 0.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7402 2.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9129 -3.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1467 -2.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9815 -1.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8300 0.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4378 2.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7867 1.9622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9399 4.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3139 5.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8279 3.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6344 -2.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5246 -3.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 -4.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 62 1 0 0 0 0 40 63 1 0 0 0 0 40 64 1 0 0 0 0 M END