PUBCHEM-ZINC05498848 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -0.0920 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 0.6120 -0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.4920 -2.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -0.0790 -2.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1780 0.9300 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -0.0990 -4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 0.9380 -4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 0.6240 -5.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 1.5830 -5.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 2.8330 -6.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 3.0730 -5.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 2.1350 -5.0490 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4320 3.8050 -6.7870 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9500 -1.0280 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -1.9590 -1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 -0.8430 -1.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -1.0540 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 0.1220 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -1.0850 -4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -0.3580 -5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 1.3650 -6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.0400 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 2.3290 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 -0.0990 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -1.4540 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 17 1 M CHG 1 18 -1 M END