PUBCHEM-ZINC06545593 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.4810 1.2500 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.5750 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 2.0600 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 2.3580 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 2.1400 -4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 1.6490 -4.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 1.4000 -3.0010 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1640 2.4960 -5.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 1.9450 -6.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 2.9560 -7.4120 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 3.4040 -6.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 2.8780 -3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 3.8640 -1.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6890 2.9340 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 5.0760 -0.4230 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4930 5.3310 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 4.8650 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 6.2070 -1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4110 6.2680 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 4.2330 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 5.4320 -2.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 2.2540 -0.6290 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9780 0.4790 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 0.8710 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 2.1470 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.4570 -5.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 2.0720 -5.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 3.5850 -5.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 3.5180 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 2.0240 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 4.7800 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8290 5.7300 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 3.9730 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 1.0790 -3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 2.0550 -8.4520 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2710 4.0510 -7.9590 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9590 3.7100 -1.8080 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3780 3.2290 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 4.6440 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 3.3030 -2.8720 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 22 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 26 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 22 -1 M CHG 1 35 -1 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 40 -1 M END