IFLAB-ZINC05258596 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.0040 1.6790 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.1730 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.4660 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.8460 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.5910 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -1.9460 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -0.5660 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -2.7370 -2.1570 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7840 -2.1760 -3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -3.9490 -2.0590 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0740 -3.9890 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.6130 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -3.9680 2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -6.1120 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -6.5620 2.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3890 -6.0280 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -8.0440 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -8.7800 3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -6.1150 4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -5.8100 5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 2.0310 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 2.0100 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 2.0840 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 0.1140 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -2.3440 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -0.0640 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -4.5090 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -6.5780 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -6.4100 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -5.2960 5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -7.0380 5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -4.8870 5.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -6.6300 5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -5.4550 7.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -8.5470 2.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -6.2680 3.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -5.4480 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -5.6570 7.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -6.4770 7.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -9.5030 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 36 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 38 1 0 0 0 0 34 38 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END