MMs02587461 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 32 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 0.7426 -1.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0148 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 -2.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 -3.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1099 -5.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2189 -6.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -5.5356 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2187 -4.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 -2.9576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6941 -3.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1495 -4.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -2.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1696 -2.4891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8590 -1.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5847 -2.2491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2645 -3.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2618 -4.8350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7719 -3.8628 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 0.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 -5.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0867 -7.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 -1.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 -1.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -1.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6837 -1.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4370 -4.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 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 9 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 31 1 0 0 0 0 M END