PUBCHEM-ZINC04096628 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 0.1720 1.1240 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -0.2330 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.4630 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 0.7290 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.7240 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 3.1580 -0.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7930 3.6410 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 3.7280 1.3090 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6030 3.0010 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 4.9190 0.9360 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5170 5.2420 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 4.4510 -0.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7390 5.2540 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 3.4300 -0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 3.8160 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 3.4080 -1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 2.9780 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 6.0350 0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 5.7530 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 4.2060 1.8870 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5330 -1.3670 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.2340 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -0.5550 -0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 1.6880 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 0.9270 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 4.5240 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 2.9240 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.3150 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -1.4130 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -1.8730 -2.1370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 22 23 2 0 0 0 0 22 30 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 30 -1 M END