PUBCHEM-ZINC03870827 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.1930 1.2560 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -0.4780 0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -0.5540 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 0.5940 -2.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 0.5650 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.6580 -3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.7560 -3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -1.7740 -2.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -2.7930 -4.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -2.2940 -5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.9990 -5.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -4.1660 -3.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2240 -4.2950 -2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -4.5730 -4.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5150 -4.0750 -5.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -6.0610 -5.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2470 -6.4750 -6.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -6.0370 -5.1980 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5340 -5.6360 -6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -5.0460 -4.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -7.3750 -4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.3100 -5.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -7.8280 -6.7370 P 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -9.3410 -6.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -7.2580 -6.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 -7.5180 -7.5880 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 -7.9040 -8.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -6.7990 -4.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -6.1680 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -4.4880 -4.3510 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7980 1.7270 -3.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 1.9210 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.4850 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 1.4430 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.9220 -6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -7.6220 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -8.1820 -5.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 2.5800 -3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 1.6800 -4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -7.0490 -7.7110 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3040 -6.1760 -7.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3180 -8.6240 -6.8460 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 28 29 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 M CHG 1 30 -1 M CHG 1 40 -1 M CHG 1 41 -1 M CHG 1 42 -1 M END