PUBCHEM-ZINC05925860 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.1370 1.5770 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.0870 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.7210 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -2.1170 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -2.6940 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -1.8030 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.4470 -1.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -4.1740 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -4.5520 -1.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -2.8260 2.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0410 -3.4280 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -1.4370 3.3800 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.9490 -1.3320 4.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -0.2350 2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -1.3600 4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -0.1520 5.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -4.5050 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -5.0400 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -6.2150 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -6.6960 4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 -6.0030 5.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -4.8270 5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -4.3440 5.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 1.8830 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 2.0430 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.9520 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -2.1650 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -4.7300 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -4.4580 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -5.5010 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -2.2780 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -1.3260 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 0.7830 4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.2000 5.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -4.0250 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -5.3400 3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -6.7610 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 -7.6100 3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -6.3780 5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -4.2830 6.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -3.4180 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -0.0940 5.6050 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3830 0.7250 6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 -0.0180 4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -0.9260 6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -3.5810 2.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -2.9280 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 42 1 M END