PUBCHEM-ZINC02047752 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 0.5460 0.1130 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 0.2080 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.6130 1.2460 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8110 -2.0500 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -1.2030 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -1.1880 3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -0.1050 4.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -0.1260 5.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -1.1590 6.1630 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6080 -2.2080 5.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -2.2630 4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -3.3490 4.2720 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4860 -3.3620 6.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 1.0810 3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 2.0540 3.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 3.4540 3.1360 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 3.1960 1.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 0.1240 1.4630 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -0.4640 2.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.9350 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.6320 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 0.5740 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 1.2500 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.1820 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -2.0480 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -2.6350 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -2.4900 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -2.2310 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.6220 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 0.7150 5.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -1.1460 7.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -4.0800 6.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -3.8470 6.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -2.9930 7.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 1.5200 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 0.7580 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.6150 2.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -1.0960 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 4.2380 4.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 4.3500 2.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -0.1790 0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 1.7150 1.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 2.1780 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 0.1850 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 4.5590 3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 5.0920 3.7040 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 18 1 0 0 0 0 3 37 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 37 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 14 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 37 38 1 0 0 0 0 39 46 1 0 0 0 0 40 45 1 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 9 1 M CHG 1 12 -1 M END