PUBCHEM-ZINC05131882 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -0.5080 1.4440 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -0.0080 -0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7170 -0.2610 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.9770 -0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1810 -0.5430 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -2.1930 0.7070 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6650 -2.4010 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -1.6150 1.5490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3250 -1.9920 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -0.1820 1.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -1.9820 2.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -3.2940 3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -3.8690 4.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -5.1680 4.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -5.8920 5.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -7.0680 5.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -1.1600 3.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -1.4810 5.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 0.1260 3.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -3.1490 -0.1130 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5010 -1.3680 -1.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -2.2900 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 2.2920 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 1.9850 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 1.5900 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 1.7710 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -3.8370 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -5.6150 3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -5.3100 6.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 0.4320 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.7640 4.2670 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 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 20 -1 M END