PUBCHEM-ZINC05386569 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.7210 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -0.0870 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -0.8380 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -2.1960 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -2.4700 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7310 -1.3560 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -0.3130 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 1.1080 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 1.6390 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 1.5930 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 2.0790 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 2.6130 -3.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 2.6580 -3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 2.1760 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 3.2270 -3.7770 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8520 3.2660 -3.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 3.6560 -4.9170 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2990 3.0910 -5.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5390 3.0120 -5.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 0.9930 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -2.9200 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 -1.2810 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 1.2310 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 1.6600 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 1.1770 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3470 2.0430 -3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 2.2150 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 1.9700 -5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2990 3.5800 -5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 3.4270 -6.9080 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 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 10 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 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END