IFLAB-ZINC04570081 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1990 -0.7030 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -0.0140 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.3610 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0740 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 3.5750 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 3.9940 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 3.3760 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 1.9110 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 0.9470 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 1.1060 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -0.3870 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.8920 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -2.1760 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -0.0170 0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -1.1300 -1.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -2.2850 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -2.0630 -3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -0.5270 -3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -0.2220 -2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.9160 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -1.7830 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 4.0120 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 3.9290 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 3.6770 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 5.0810 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 3.6440 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 3.7390 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -0.9580 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -0.9540 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -2.3510 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -3.2000 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -2.3830 -4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -2.5850 -3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -0.0150 -4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -0.2640 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -0.4320 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 0.8170 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 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 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END