PUBCHEM-ZINC05592161 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 0 0 0 0 0 0999 V2000 0.1680 1.9110 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 0.3930 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -0.2460 2.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -1.5870 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -2.2050 1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -2.3210 3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.7630 2.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -4.6230 3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -4.2020 4.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -6.0780 3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -6.5730 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -7.9320 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -8.8040 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 -8.3200 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -6.9630 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -6.4370 5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -9.2600 4.9210 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5740 -10.4440 4.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -8.8500 5.9070 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4430 -8.4580 1.1270 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1880 -7.6920 0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -9.6580 0.9230 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2010 2.2580 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 2.3910 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 2.1650 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 0.0470 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 0.1400 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -2.0030 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.0960 4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -4.0990 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -5.8930 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -9.8670 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -6.3980 6.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -7.0970 5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -5.4360 5.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END