MMs02456987 MOE2007 2D CORINA 3.40 0006 02.08.2006 47 49 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 1.3053 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 -0.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5925 -2.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -4.0513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 -4.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 -3.0147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 -2.5064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 0.0253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5707 -1.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 1.3904 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1030 2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 1.2210 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1525 0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2929 -0.2488 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2929 -1.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -0.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6580 -0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8789 0.0009 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2440 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4650 0.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8301 -0.3711 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8693 -0.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0510 0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9068 1.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0065 2.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 0.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 1.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9752 -5.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5617 -1.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 -3.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9785 -1.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5141 -1.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5646 -1.6099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1001 -1.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6088 1.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1444 1.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9975 -2.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 3.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 2.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4161 -0.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9742 -1.8641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0663 -2.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3929 0.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 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 3 4 1 0 0 0 0 3 11 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 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 41 45 1 0 0 0 0 44 47 1 0 0 0 0 45 46 1 0 0 0 0 M END