IFLAB-ZINC04570074 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 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 -1.5190 -2.3300 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -3.0240 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -2.0240 -3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -0.8650 -2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -0.1490 -2.2680 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 -0.8390 -2.0440 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -3.0080 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -3.8620 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -3.3900 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -1.6400 -4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -2.5220 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -0.1650 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -1.2510 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 0.6120 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 0.3190 -3.0680 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 23 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 24 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 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 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 31 1 0 0 0 0 13 32 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 22 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END