PUBCHEM-ZINC04544098 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 0.9940 1.9750 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 0.5430 1.3180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7990 0.0760 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.5660 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 0.4010 1.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.0370 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.5290 4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -0.7620 6.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -0.2060 7.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 0.5780 7.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -0.6580 4.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9460 -0.8000 5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 0.3890 3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -1.9640 4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -2.2020 3.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -1.6510 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -2.1790 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -1.4440 0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 2.4410 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 2.5450 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 1.9570 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -0.6040 2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 1.0210 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -1.6090 4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.0440 5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.4950 7.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -1.8470 6.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 0.2060 3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 1.3840 4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 0.3230 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -2.2040 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.7720 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 0.7720 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -0.2260 2.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -0.2000 5.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -0.5800 8.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -2.8640 3.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -3.4660 0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -3.7580 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -3.6870 3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -0.1970 9.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 0.7780 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 34 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 33 42 1 0 0 0 0 36 41 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 M END