PUBCHEM-ZINC05509290 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 1.6130 1.5070 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 0.0300 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -0.6370 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -1.9920 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.6840 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -2.0230 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.6600 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 0.0120 -2.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.6860 -3.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -0.0380 -4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -0.7150 -5.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -2.0050 -5.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -2.6920 -7.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.0010 -8.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.7020 -9.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -4.0860 -9.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -4.7770 -8.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -4.0900 -7.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -4.8440 -5.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 1.4420 -4.7500 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0050 2.0540 -3.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 2.0480 -5.7860 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6490 1.6570 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 1.9580 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 1.9730 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -0.1000 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -2.5120 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -3.7420 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.5640 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.9620 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.9210 -8.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -2.1700 -10.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -4.6290 -10.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -5.8570 -8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -5.0440 -5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -5.7870 -6.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -4.2460 -5.1730 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 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