PUBCHEM-ZINC00000541 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5270 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0030 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0130 -0.3990 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.5420 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -1.2860 0.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -1.2100 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -1.7380 -1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.5000 -1.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -1.9110 1.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -1.8310 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -2.4130 3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -2.4140 4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -3.1020 4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -3.5080 3.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -3.0980 2.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 -4.2890 3.5380 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7340 -4.6480 4.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 -4.6200 2.3220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9040 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8890 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8770 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 0.2810 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -1.2070 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -0.3400 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -1.3100 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -1.9610 5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 -3.2990 5.9410 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END