PUBCHEM-ZINC01570297 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 0.4120 1.4770 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 0.0170 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -0.7890 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.0560 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -2.0390 -0.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -0.7990 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -0.2790 -2.8160 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -1.7970 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -1.8030 -5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -3.0160 -5.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -4.1300 -5.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -4.0950 -3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.9530 -3.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -5.6050 -2.8470 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -6.7340 -4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -7.5300 -4.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -8.4150 -5.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -8.5090 -6.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -7.7180 -5.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -6.8350 -4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -5.9940 -4.4860 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5280 -6.0830 -5.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -5.2120 -3.5580 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4940 -9.4580 -7.4280 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4510 -10.1550 -7.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -9.5410 -8.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4630 1.7580 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 1.8720 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 1.8880 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.4660 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.9360 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -0.8800 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -3.0560 -6.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -7.4570 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -9.0340 -5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -7.7930 -6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 24 1 M CHG 1 26 -1 M END