PUBCHEM-ZINC04982692 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -0.7060 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -0.0050 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -0.6680 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -2.1340 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -2.8330 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -2.1080 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -2.8480 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -4.2630 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 -4.9670 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -6.3750 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1250 -7.0960 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1130 -8.5080 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2920 -9.1940 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5010 -8.5100 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5260 -7.1220 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3610 -6.4120 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7720 -9.2680 0.0550 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.7550 -10.5850 0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9220 -8.6250 0.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 1.0750 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -0.1230 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -3.9130 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -2.6170 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -2.3210 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -4.7900 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 -4.4400 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 -6.9020 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 -9.0420 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2860 -10.2740 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4730 -6.6020 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 -5.3330 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END