PUBCHEM-ZINC01531053 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 0.0030 1.5180 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.0010 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -0.6000 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -2.0800 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -2.6050 -1.1340 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9920 -2.0080 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -3.6080 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 2.1020 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 3.5780 0.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2020 3.7780 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 4.1240 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 5.1680 -0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 1.9920 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 1.7350 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.2270 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.4730 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -0.3340 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.1690 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 1.5340 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 1.9510 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -2.8010 1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -2.3540 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -3.8130 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 3.5070 0.4400 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6240 4.4250 -0.7630 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0800 4.9790 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.9690 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 5.1180 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 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 5 1 M CHG 1 24 -1 M CHG 1 25 1 M END