PUBCHEM-ZINC03785913 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0690 1.5020 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.0160 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5170 -0.3840 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -0.5300 1.2600 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7920 -0.1570 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -2.0640 1.2910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 -2.4440 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -2.6570 1.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2400 -2.2860 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -2.0850 -0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8790 -2.3330 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -2.4520 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -1.5470 -1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -1.8730 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -3.9670 1.0590 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2950 -2.4850 2.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -3.4200 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.0470 2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.6480 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 1.9580 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.8240 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.9030 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -3.4770 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -2.3350 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -0.5770 0.0440 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7780 -0.2930 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -0.2400 -0.7090 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 4 1 0 0 0 0 2 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 15 -1 M CHG 1 25 1 M END