IFLAB-ZINC02457062 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.5250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0070 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.4900 0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 0.0460 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 1.5760 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 3.4590 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 3.8870 2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 5.6890 2.8890 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 6.0820 2.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 6.3380 2.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -1.4000 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -1.9090 -2.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -1.9090 -0.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.9010 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.8860 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -0.3650 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -0.3690 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -0.2780 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.3120 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 1.9360 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 1.9880 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 3.9400 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 3.7550 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 3.5910 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 3.4060 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -1.5690 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -2.6160 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 2.0000 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 5.9860 4.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 6.9240 4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 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 18 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 29 30 1 0 0 0 0 M END