PUBCHEM-ZINC02047753 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.4460 1.2600 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 1.7280 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 1.6370 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 2.1160 -2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 2.6830 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 2.7190 -3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 2.2490 -2.6900 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0230 3.1840 -4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 4.1240 -5.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 3.6210 -6.9990 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 3.2540 -7.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 2.0850 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 3.6610 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 2.6560 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4620 2.9650 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2950 3.3690 -3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 3.6740 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 5.3270 -1.0220 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 5.3580 0.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 1.1630 -0.2570 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3190 0.1920 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 1.4080 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 1.8240 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 3.1200 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 2.3310 -5.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 3.7150 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 1.8330 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 1.2710 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8130 1.6210 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9770 2.7570 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1320 2.1070 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8950 3.7910 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6060 2.5530 -3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9240 4.2320 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 4.6280 -3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 2.8960 -3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 2.2930 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 4.8320 -7.5250 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8500 2.4370 -6.6490 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7470 3.3780 -1.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 3.4460 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 6.2690 -1.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 6.0440 -1.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 6.0300 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 7.1160 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 40 41 1 0 0 0 0 42 45 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 7 1 M CHG 1 20 -1 M CHG 1 38 -1 M CHG 1 39 -1 M END