PUBCHEM-ZINC05789258 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -1.4230 1.5250 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 0.2130 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.7540 0.4550 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -1.8620 -0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -0.9100 1.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 0.4870 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 1.7850 0.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3390 2.0550 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 3.3370 0.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1970 2.6480 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 4.7880 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 5.0130 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 6.4380 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 7.7890 4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 8.8580 4.0090 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0340 9.7050 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 8.8420 3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 7.8740 5.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 7.1040 5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 8.7180 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 3.1400 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 2.6540 -2.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 1.4170 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 2.3400 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 0.3860 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -0.3320 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 0.4160 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 0.2990 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 5.0940 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 5.4500 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 4.8270 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 4.2990 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 6.6170 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 7.1600 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 2.9330 -0.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9510 2.6580 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 3.7480 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 6.6430 3.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 5.8840 3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 3.4570 -0.8300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 15 1 M CHG 1 35 1 M CHG 1 40 -1 M END