IFLAB-ZINC04134556 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.1020 1.4890 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.0410 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.5140 0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -1.8620 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -2.3890 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -3.7570 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -4.6050 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -4.0760 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.7080 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -5.9910 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -6.9140 -1.1230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -6.5690 -1.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -8.2410 -0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -6.3750 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -5.4390 -3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -5.0170 -4.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -5.5310 -5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -6.4670 -4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -6.8930 -3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -7.0170 -5.1450 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8380 -6.6450 -6.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -7.8420 -4.5390 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1300 1.8500 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 1.8790 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 1.8270 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.3790 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -0.4300 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -1.7290 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -4.1680 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -4.7350 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -2.2960 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -6.4120 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -5.0380 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -4.2850 -5.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -5.2010 -6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -7.6270 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END