PUBCHEM-ZINC05973785 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3420 0.0090 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 1.3180 -0.3820 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -1.2920 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.7470 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.9190 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -1.1210 -1.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8880 -0.1510 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -1.9350 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -2.9960 -1.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -1.8300 -2.2020 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.0420 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.7520 -4.3320 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.4670 -2.9820 -5.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3760 -3.5840 -5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -3.7220 -6.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -5.0940 -5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -6.2020 -6.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -7.2110 -5.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -6.7710 -4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -5.4560 -4.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -4.8760 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -1.6590 -6.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -0.6300 -5.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.9650 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 0.7930 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -1.8820 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.4730 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -2.6370 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.0790 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -3.8140 -7.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -3.1630 -6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -6.2660 -6.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -7.3620 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -1.4800 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.6240 -7.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -0.7520 -8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -2.0370 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 14 -1 M END