PUBCHEM-ZINC05796627 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 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3590 -1.7590 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -2.3310 -3.7610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3600 -2.9330 -3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -2.8910 -4.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -2.0990 -5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -2.6130 -6.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -3.9180 -7.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -4.7100 -6.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -4.1970 -5.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -6.1070 -6.8990 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9190 -6.5590 -7.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -6.8040 -6.2600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1160 -0.9610 -4.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -0.5180 -3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -1.2510 -2.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 0.8930 -3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -3.7430 -2.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -4.6730 -2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -4.3660 -1.9460 O 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -1.0800 -5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -1.9950 -7.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -4.3190 -8.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -4.8170 -4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 1.3970 -4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 0.8730 -4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 1.4290 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -3.9890 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -5.6920 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END