PUBCHEM-ZINC06025568 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 2.0980 1.4120 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.0510 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.6860 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -2.0720 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -2.2280 1.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -0.9770 1.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.8210 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -0.0110 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 1.3800 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 2.0860 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 3.4840 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 4.1250 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 3.2320 -0.0690 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 5.4690 -0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 6.2000 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 7.4940 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 8.2620 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 9.6560 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 10.3690 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 9.7100 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 8.3310 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 7.6000 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 11.8450 -0.4870 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3970 12.4270 -0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 12.4770 -0.4930 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7810 1.9760 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -0.4610 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -2.8670 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 1.9050 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 3.9920 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 5.9310 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 8.0080 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 10.1730 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 10.2750 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 7.8240 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 6.2460 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 5.7890 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END