PUBCHEM-ZINC05810288 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.0090 1.5080 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 0.0800 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -0.5670 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -0.7330 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -1.3720 3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.8480 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -1.6830 2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -1.0390 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -2.4760 4.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.6210 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -1.8720 -1.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -2.4300 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -3.5880 -2.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -1.5430 -3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -1.8290 -4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.2120 -5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -3.4780 -6.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -4.7780 -7.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -5.8190 -6.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -5.5650 -5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -4.2700 -4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -7.2120 -6.7840 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8890 -7.4400 -7.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -8.1300 -6.1280 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2720 -0.0090 -2.7590 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 1.6350 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 1.9510 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 2.0020 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.3640 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -1.5020 4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -2.0540 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -0.9070 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -1.8830 5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -1.0410 -5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.6670 -7.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -4.9850 -7.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -6.3820 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -4.0730 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END