MMs01993820 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 57 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 -0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 -1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -2.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 -3.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7295 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4863 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7431 -1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1008 -4.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7273 -5.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4717 -6.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4679 -5.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6169 -6.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6861 -4.1758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5371 -2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7552 -1.8079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 -2.0659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 -0.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0532 -4.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2713 -3.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6384 -4.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8565 -3.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7076 -2.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3405 -1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1223 -2.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9257 -1.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7767 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2928 -1.9091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5109 -1.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8780 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1822 -3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6731 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2904 -1.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1810 -0.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0063 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 -2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6241 -4.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 -0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3769 -5.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 -5.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7576 -5.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9502 -4.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2213 -0.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5755 -2.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4120 -3.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6521 -0.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1872 -0.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3746 -4.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2677 -4.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4655 -1.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 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 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 M END