IFLAB-ZINC04275322 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -0.6320 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -2.1050 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.8560 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -4.2120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -4.8970 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -4.1450 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -2.7580 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -5.2580 0.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -6.6280 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -6.2170 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -7.9560 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -8.9300 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -8.6430 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -10.3760 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -11.4350 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -11.1850 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -2.3510 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -4.7750 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -2.1860 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -8.1860 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -10.6030 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -11.0860 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -12.3590 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -11.9450 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -10.6710 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 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 26 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M END