PUBCHEM-ZINC04530732 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 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 0.6520 -0.5700 -1.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2560 -0.1150 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.0800 -1.1720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7590 -2.5300 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -2.6880 -2.3620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7550 -2.2740 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -2.3500 -2.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1700 -2.7320 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -0.8300 -2.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4350 -0.3780 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.3250 -1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 -0.4870 -1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 0.9320 -2.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -2.9490 -1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -4.1070 -2.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -2.3330 -1.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -2.0310 -0.4950 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4520 -1.7280 0.3240 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -0.8620 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -0.9480 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 1.2220 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 -2.7760 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.3920 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 19 20 2 0 0 0 0 M CHG 1 19 1 M CHG 1 20 -1 M END