PUBCHEM-ZINC05041664 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.3080 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0020 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.7380 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -1.6750 1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -2.4470 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -2.4280 0.1510 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -3.2340 2.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -3.9990 2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 -3.7170 4.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -3.9890 5.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -3.0920 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -3.3440 3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -3.9010 6.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -4.1250 7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -4.0370 8.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -3.7260 8.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 -3.5030 7.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -3.5950 6.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -3.6320 10.4140 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8890 -3.8280 11.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.3580 10.6860 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9140 1.8600 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.8350 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -1.2880 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -0.0230 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.7400 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -5.0640 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -3.6910 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -4.3600 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -2.6720 4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -3.2820 5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -2.0560 4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.6030 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -4.3450 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -4.3670 7.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.2110 9.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -3.2600 8.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -3.4250 5.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 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 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END