PUBCHEM-ZINC05317825 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0670 0.9450 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.8030 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 2.9920 1.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2180 3.2120 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 3.7160 1.4050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4100 3.0550 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 4.2380 2.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 3.8800 3.4170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3870 3.0060 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 3.4520 2.3480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2570 2.6030 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 4.4810 1.8910 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0250 4.9040 4.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 6.2600 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 6.9150 5.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 5.9350 6.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 4.6760 5.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 3.4940 6.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 3.6720 7.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 4.8280 8.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 5.9940 7.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 7.1800 8.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 4.9010 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 5.4070 0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 5.6040 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -0.1430 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 1.2360 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.3740 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 1.1980 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.2750 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 0.9810 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 6.7060 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 2.7670 7.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 8.0500 7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 7.1490 9.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 4.5960 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 5.7230 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 1.4560 1.1850 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6490 1.1470 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 38 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 38 1 M END