IFLAB-ZINC05182966 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.9980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -2.7150 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -2.2330 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -3.1040 3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -4.4740 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -4.9700 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -4.0980 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -4.3570 -0.7500 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -2.6860 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -2.1690 -2.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -2.9720 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -4.1780 -3.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -2.3870 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -3.4700 -5.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -4.0220 -6.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -3.7040 -5.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -5.1040 -7.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -5.0820 -7.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -3.9860 -6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -3.6320 -6.0420 O 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.1680 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -2.7150 4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -5.1490 4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -6.0370 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -1.7850 -4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -1.7600 -4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -6.0740 -6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -4.8670 -8.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -6.0410 -6.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -4.8340 -8.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 23 2 0 0 0 0 M END