IFLAB-ZINC02458722 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 0.1840 1.5390 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 0.0230 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -0.5650 1.5680 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -0.2490 1.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.0850 2.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -2.2450 1.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -2.9440 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -2.9620 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -2.4220 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -3.2080 2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -4.4780 3.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -5.0240 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -4.2780 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -6.4700 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -6.9150 3.2340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2080 1.9250 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 1.8810 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 1.9790 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -0.3390 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -0.3950 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -3.6240 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -3.5070 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -2.2440 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -1.4160 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -2.8250 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -4.7330 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -7.1340 3.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 2 0 0 0 0 M CHG 1 15 -1 M END