PUBCHEM-ZINC05247710 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0030 1.4580 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0720 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.5870 0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9860 -0.1600 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -2.1120 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -0.1920 1.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -0.0660 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 0.1950 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 0.3180 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 0.5510 3.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 0.1780 1.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 0.2640 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 -0.0790 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -0.2010 -0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -0.1960 0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -0.3780 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 0.3440 3.7690 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0540 0.3390 3.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 0.4720 4.8420 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0240 1.8240 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8130 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.8260 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -0.4410 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.4270 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -2.5390 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -2.4790 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -2.4060 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -0.0180 2.0660 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 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END