MMs00645794 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 47 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 1.3585 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5885 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9471 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4342 -2.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6642 -1.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0227 -2.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2527 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6112 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8412 -1.2396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7126 0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9426 1.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3011 0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4297 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1997 -1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3283 -3.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8908 -1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6652 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6827 1.0617 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.1596 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0182 -1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7955 1.4154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4749 -2.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5087 1.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 0.5087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5087 -1.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 -1.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2058 -1.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 -3.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 0.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0742 1.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1256 -3.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9215 -3.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4585 -2.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6258 0.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9911 1.5182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1087 2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3696 -3.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9421 -3.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5801 -2.2707 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 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 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END