IFLAB-ZINC05251544 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -0.0240 1.5310 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0010 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.5080 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -0.5090 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -1.7320 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -2.4100 -0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -2.2520 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -1.5740 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -3.4740 -0.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -4.0010 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -3.1620 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 -3.6860 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 -5.0440 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -5.8810 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 -5.3640 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2580 -7.3330 -0.3600 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3840 -7.7900 -0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -8.0720 -0.2780 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9980 1.9100 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.8930 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8780 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.3470 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -0.1280 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.1600 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -1.5980 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.0320 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -3.9880 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 -2.1020 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8410 -3.0340 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1570 -5.4510 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -6.0200 -0.6080 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 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END