PUBCHEM-ZINC06292521 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 -0.0890 1.4270 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -0.0640 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.4160 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 0.4230 0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.7710 0.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -2.3870 0.8610 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0970 -1.8300 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -2.4950 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -1.0090 3.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -0.1090 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -3.8050 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -4.3970 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -4.3400 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -5.6740 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 -5.6420 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -7.0150 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 -7.9630 -1.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 1.7910 -0.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0740 1.1480 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 3.2710 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 3.7610 -1.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 2.0220 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.7030 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.3670 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -0.6530 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -2.4170 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -3.3340 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -2.6700 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -3.8060 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -6.3320 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6210 -6.0350 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -4.9610 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -5.2580 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -7.0320 -3.9680 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5910 3.7410 0.9490 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3650 1.5980 -1.9530 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4630 1.5980 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 0.8540 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 2.5410 -2.2020 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 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 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 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END