IFLAB-ZINC04166910 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2430 -0.6500 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.1220 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.4370 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.1270 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.8250 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -4.1330 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -4.6000 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -3.2240 -0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -5.0490 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -4.6960 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -5.5870 -1.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 -5.6940 -2.6200 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 -6.6010 -2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 -5.8800 -3.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -4.1200 -2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4760 -3.8490 -2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 -2.6150 -2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -1.6450 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 -1.9190 -3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 -3.1610 -3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 -0.9840 -4.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 0.3700 -4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 0.3820 -4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 -0.4310 -3.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9130 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -0.3630 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 3.1530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -5.6410 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -4.9300 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -6.0820 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -4.8150 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -3.6630 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -6.1150 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9690 -4.6020 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0280 -2.4060 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -3.3770 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 0.9750 -5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 0.7690 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8990 -0.0220 -5.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9150 1.4030 -4.3400 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 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 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END