MMs01873154 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 0.7439 -1.3026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -2.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4877 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 -3.9219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7315 -3.9289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1315 -4.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4876 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9876 -2.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 -3.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2923 -3.4014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2598 -4.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2994 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -1.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5701 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6895 1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1139 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4189 -0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4754 -5.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9754 -5.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7193 -6.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -7.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 -3.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9754 -5.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -3.9006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 -2.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 -1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6266 -4.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -2.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7016 -1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4874 -4.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 0.4137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4456 2.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0095 1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5584 -1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 -8.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0582 -8.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5052 -7.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 -4.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 -6.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 -5.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 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 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END