IFLAB-ZINC04505676 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1980 -0.6930 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0010 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.4050 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 2.1380 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 3.3310 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 1.3250 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -0.0200 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -0.6750 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 0.2260 -1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -1.1140 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -2.0130 -2.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -2.2470 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 -0.8940 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -2.7490 -3.5180 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -3.9090 -2.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -2.7900 -4.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7730 -1.6750 -3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 -1.6940 -3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8650 -0.7540 -3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4180 0.0290 -4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -0.4180 -5.1100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -1.7730 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 1.8490 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 1.1600 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 0.8690 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 0.7090 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -1.5550 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -0.9560 -3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 -2.7810 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.8360 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 -0.4000 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -1.0490 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 -2.3910 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.6610 -3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9860 0.8160 -5.1800 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 27 1 0 0 0 0 4 5 2 0 0 0 0 4 11 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 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 M END