MMs01539115 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.2982 0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5998 -1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8997 -2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 -1.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 0.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4978 -2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7959 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9510 0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 0.3144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1694 -0.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1669 -2.0997 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6613 -1.1389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5416 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9300 1.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0336 -0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9139 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4139 1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2969 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8758 2.5639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6612 3.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6595 4.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4487 2.5611 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 -1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 1.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 1.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 -2.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -3.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2347 0.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8949 1.9544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 -3.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2701 -3.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 0.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1507 -2.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -1.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0166 2.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M END