IFLAB-ZINC04166871 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 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 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -3.9080 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -4.4570 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -5.8290 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -6.6550 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -6.1100 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -4.7390 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -8.4050 -0.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -8.9530 0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 -8.6590 0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -8.8830 -1.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -8.7200 -2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -9.5580 -3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -9.3900 -4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -10.4350 -5.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -9.8270 -6.0710 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -8.1790 -5.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -8.2100 -5.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -6.9570 -6.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -7.0530 -7.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -5.9100 -7.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -4.6690 -7.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -4.5660 -6.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -5.7030 -6.0510 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 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 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -3.8120 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -6.2560 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -6.7580 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -4.3140 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 -9.2710 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -7.6700 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -9.0530 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -10.6080 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -9.2250 -4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -11.4730 -4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -8.0210 -7.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -5.9830 -8.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -3.7760 -7.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -3.5940 -6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -5.6220 -5.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 M END