PUBCHEM-ZINC00345696 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -2.6700 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -4.0520 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -4.5730 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.7210 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -2.3520 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -1.4440 3.4160 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6380 -1.9050 4.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -0.2380 3.2820 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2120 -4.9610 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -4.5050 -1.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -6.2950 -0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -7.1270 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -8.6010 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.2610 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -5.6420 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -4.1250 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -6.9270 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -6.9010 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -8.8270 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -9.2260 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -8.8010 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END