IFLAB-ZINC04275944 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 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 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1890 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6040 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.4070 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1600 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -2.7480 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8560 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -4.2400 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -4.9960 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -6.2340 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -6.3180 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -5.0570 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -7.5610 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -8.8030 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -9.9610 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -9.8930 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -8.6630 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -7.4990 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -11.0300 -0.0200 F 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 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.4770 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.3860 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -8.8570 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -10.9220 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -8.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -6.5420 0.0070 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 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 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END