PUBCHEM-ZINC05138070 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -1.5460 1.3250 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -0.1310 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -0.7000 2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.6680 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.0600 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -2.5850 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -3.9630 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -4.8000 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -4.2700 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -2.8840 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -2.3580 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -1.1360 0.1330 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8270 -4.4890 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 1.7090 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 1.8790 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 1.4580 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -1.9060 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -5.8780 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -4.9520 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -3.8810 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -5.4880 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -3.1910 -0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 22 2 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M CHG 1 12 -1 M END