IFLAB-ZINC05143645 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2190 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 0.0370 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 2.1180 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.1660 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.8240 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -4.1580 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -4.8480 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -4.1080 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -2.7880 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -5.0270 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -6.2650 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 -7.3000 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -6.1850 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -6.9360 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -4.7210 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 -3.3960 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 -3.0930 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -4.1090 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1740 -5.4390 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -5.7420 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 -6.2400 -0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3720 -5.3950 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9530 -4.0770 -0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -4.8900 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -6.1050 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -4.2080 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -0.4840 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1670 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -2.6020 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 -2.0610 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -6.7730 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5110 -5.4400 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2890 -5.6790 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -3.2380 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -4.6880 0.0110 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 M END