MMs01469883 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 40 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 1.2961 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 2.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 0.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4864 2.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0903 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0845 2.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6884 0.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9961 -1.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2864 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5883 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8845 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8787 2.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5767 3.0602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2806 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 0.0703 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 -0.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2569 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 2.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 3.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0903 2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8303 -0.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 -0.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1193 1.6813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 1.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2008 -1.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 -1.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6244 -0.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1671 -0.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5930 -1.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9156 2.9193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2391 2.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 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 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 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 M END