IFLAB-ZINC05155246 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7040 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0340 1.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7060 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0610 -1.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.5700 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.7120 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.1180 -2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.4680 0.0580 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -4.7450 1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -6.2260 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -6.8800 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -8.2430 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -8.8990 2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -8.1780 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -6.8810 2.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 0.0320 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -4.2810 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -4.3060 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -6.3370 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -8.7800 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -9.9600 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -8.6810 2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 0.1950 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.5610 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 0.9920 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END