IFLAB-ZINC04939459 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -0.5830 0.0570 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 0.9770 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 0.7960 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.3060 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -1.2250 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.0440 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -0.5610 0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.1980 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 1.2180 -1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -0.3780 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0220 0.7080 -0.4010 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9950 1.3540 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 -0.0620 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 -0.1370 -1.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 2.9130 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5460 3.5820 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 4.8590 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 6.5130 -4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 7.1470 -5.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 7.7810 -5.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 6.8330 -6.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 6.1670 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 0.2000 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 1.8370 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 1.5380 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -2.0950 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -1.7630 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -1.4000 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -0.9310 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -1.1060 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 2.7180 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 3.5230 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 2.8950 -3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 3.8050 -3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9580 5.6070 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 4.6160 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5910 5.9770 -3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4370 7.2630 -3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5680 7.9140 -5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 6.4040 -6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 7.3710 -6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7190 6.0870 -6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 6.9090 -3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 5.3990 -4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 -0.4360 0.5090 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8080 1.6070 -1.6260 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2500 1.0270 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 1.7040 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5280 5.4980 -4.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7740 4.7550 -4.8930 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 13 14 2 0 0 0 0 13 45 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 49 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 45 -1 M CHG 1 46 1 M CHG 1 49 1 M END