IFLAB-ZINC04033166 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.4250 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6110 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 0.1540 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -0.4590 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -1.8500 -3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -2.6210 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.0020 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.7740 -0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -4.0240 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -4.4450 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -4.8750 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -6.1540 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -6.7210 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -5.9370 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -4.4120 2.0980 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -2.5080 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -1.8760 -5.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -2.8440 -6.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 -2.7920 -7.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -3.9480 -8.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -5.1670 -7.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -5.1900 -6.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -4.0540 -5.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -3.8310 -4.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 1.8030 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.7820 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.7800 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 1.2320 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.1400 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -3.6990 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -2.4100 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -6.6670 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -7.7270 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -6.2280 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -0.8100 -5.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -1.8430 -7.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -3.9300 -8.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -6.0920 -8.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M END