PUBCHEM-ZINC05163034 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 1 0 0 0 0 0999 V2000 0.1420 1.2740 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.0760 -0.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -0.6240 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 0.2350 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 1.5980 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 2.1890 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 2.1860 0.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 1.1750 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -0.0190 0.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 3.6120 0.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8790 4.1340 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 4.1470 1.6540 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6940 3.3660 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 5.2510 1.2860 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8610 5.4380 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 4.8060 -0.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8720 5.6440 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 3.8620 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 4.1340 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 3.1140 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 6.4800 1.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 6.2370 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 4.7110 2.2460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5300 -1.9980 -0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 1.6720 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 1.3730 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -2.5640 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -2.3920 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0960 4.6880 -0.3650 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 21 22 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 29 -1 M END