IFLAB-ZINC04569201 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.3300 2.0560 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 0.7140 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.1140 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 0.4020 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 1.7440 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 2.5720 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -0.6530 -0.1780 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 0.1600 0.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -1.8220 0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -1.1270 -1.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -0.3920 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 -1.4690 -3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -2.3860 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -2.3540 -2.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1330 -3.2270 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -2.3320 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -3.6130 -2.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -3.8600 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -2.9910 -2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -5.2050 -3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -6.1020 -3.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -5.4220 -3.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -6.7400 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -6.7170 -4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -8.0730 -4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -9.0870 -3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -10.1620 -4.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -9.7400 -5.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -8.4730 -5.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 2.7020 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 0.3110 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -1.1620 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 2.1470 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 3.6210 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 0.3630 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 0.0720 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8790 -1.0240 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 -2.0150 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.9820 -4.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -3.4000 -4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -2.1710 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -1.5260 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -4.2820 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -4.7050 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -6.9890 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -7.4880 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -6.4680 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -5.9690 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -9.0820 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -11.1340 -4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -10.3220 -6.7220 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 M END