MMs00485055 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 42 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 0.0087 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0480 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 -2.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 -1.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 -3.7424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 -4.4848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5850 -5.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 -3.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -4.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -5.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 -6.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 -2.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5893 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 -2.2727 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8839 -1.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1873 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -2.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7854 -1.5454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.0800 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8752 -3.7727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1698 -4.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1611 -6.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2852 -4.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1422 -2.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 -2.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 -3.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 -3.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4213 -0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -0.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7053 -3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2479 -3.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6860 -1.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1157 -2.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 -3.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8325 -4.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2125 -3.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 -6.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 -7.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 13 14 1 0 0 0 0 13 32 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 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 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 41 1 0 0 0 0 42 43 1 0 0 0 0 M END