PUBCHEM-ZINC00552370 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0340 0.9420 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 1.4930 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 1.8280 -2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 1.6510 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 2.0160 -2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 2.0650 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 2.3470 -2.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 1.7510 -0.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 1.4660 -0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9580 0.4410 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 2.4280 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 3.7860 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 4.6690 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 4.1930 3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 2.8350 3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 1.9520 2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 5.1380 4.2180 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8870 6.3350 4.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 4.7200 5.2780 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5900 1.6960 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 0.2860 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 0.2310 0.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1130 -0.9200 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 -1.9110 0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3890 -0.9760 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 2.2490 -3.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.1480 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 1.2850 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.2890 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 4.1580 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 5.7300 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 2.4640 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.8910 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 1.9470 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 2.4100 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 0.0350 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 -0.4280 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7370 1.0240 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 0.0020 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2160 -1.2540 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2890 -1.7170 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 1.6980 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 26 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 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 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END