IFLAB-ZINC04496673 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8220 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.5650 0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.3780 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -1.5690 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -2.2860 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -4.0030 4.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -3.7240 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -4.7200 1.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -6.0160 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -6.3100 3.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -7.0980 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -8.7220 1.9660 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -9.8420 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -11.2130 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -12.0870 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -11.6000 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -10.2360 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -9.3560 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -0.4890 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -1.8710 5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -4.4840 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -7.0110 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -6.9930 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -11.5940 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -13.1530 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -12.2860 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -9.8600 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -8.2910 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 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 10 2 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 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 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END