PUBCHEM-ZINC03870761 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 0.0220 1.6030 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.6620 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 1.8670 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 1.9160 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.8010 -3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.6160 -3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 1.5460 -2.6350 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8650 2.0300 -5.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 3.4270 -5.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 3.9290 -6.5700 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 3.2070 -7.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 2.1680 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 3.8230 -1.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8970 3.7850 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 5.2730 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 6.1010 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 5.4840 -0.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 2.9110 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 2.0200 -0.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 2.0490 -0.2630 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3090 0.8040 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 1.3950 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 2.5600 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.5550 -4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 1.4730 -5.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 1.6570 -5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 2.3540 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 1.3160 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 4.3820 -3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 2.7640 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 4.1680 -2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 5.2970 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 5.8290 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 1.4420 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 5.4430 -6.6280 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4280 3.4370 -6.0320 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7350 3.3760 -1.7880 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3060 3.1270 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 4.1420 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 7.3410 -0.7720 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5510 3.0920 0.6910 O 0 5 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 34 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 35 1 0 0 0 0 10 36 1 0 0 0 0 12 27 1 0 0 0 0 12 28 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 18 1 0 0 0 0 13 37 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 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 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 20 -1 M CHG 1 35 -1 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 40 -1 M CHG 1 41 -1 M END