IFLAB-ZINC04166890 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.9920 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.6020 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1610 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -2.6160 -4.5800 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -1.6700 -5.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -3.9100 -4.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -2.8480 -5.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -1.6950 -6.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.1530 -7.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.9660 -8.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -0.6490 -9.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 0.7880 -9.9690 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 0.8170 -8.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.1830 -7.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 1.8130 -7.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 2.8470 -8.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 3.7530 -8.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 3.6100 -6.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 2.6260 -5.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 1.7350 -6.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.5910 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.6800 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.1420 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.2380 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.7480 -5.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -1.2420 -5.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.9630 -6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.6060 -8.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -2.8850 -7.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -1.1820 -10.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 2.9350 -9.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 4.5640 -8.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 4.3160 -6.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 0.9410 -5.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 M END