MMs01185579 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 1.2968 0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2924 2.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 3.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 5.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6556 4.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 5.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 7.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 6.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 2.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 4.4836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2363 4.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9824 3.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9755 2.3781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7082 0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8259 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2511 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5586 -0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4409 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0157 -1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -2.0263 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.9838 -0.9610 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3015 0.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -0.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 -1.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -0.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0011 -1.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 -0.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 1.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 4.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 5.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 3.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 5.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 8.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9187 1.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0743 1.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7276 5.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1755 3.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0836 0.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1124 -0.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5798 2.6172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1452 1.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6869 -2.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 M END