PUBCHEM-ZINC05335953 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.1540 1.5330 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 0.0260 0.1110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8760 -0.4940 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.4270 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -1.8780 -1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -2.5400 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -3.9330 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -4.6610 -3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -3.9890 -4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -2.6040 -4.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -1.8930 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -4.7410 -5.2710 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6630 -5.9670 -5.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -4.1070 -6.2160 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7660 2.0710 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.8600 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 1.8330 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.0990 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 0.0570 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.4640 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -4.4760 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -5.7390 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 -2.0590 -5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -0.8190 -3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -0.3680 1.1090 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2910 -1.3730 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.1780 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 0.1180 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 25 1 M END