PUBCHEM-ZINC05497422 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.5220 1.5080 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.0290 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.5790 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -1.9270 1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -2.8410 0.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2850 -2.9930 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -3.9460 1.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2860 -4.7640 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -2.8370 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -2.7760 3.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -4.4460 0.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -3.8990 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -5.6150 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -6.3490 1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -5.9500 0.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3950 -5.2870 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -5.8050 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -4.7710 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -4.5900 -2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -5.4350 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -6.4710 -3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -6.6590 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -7.2880 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -2.2880 -1.2790 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -0.6840 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 0.2610 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 0.1370 3.1700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7880 2.0090 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 1.6690 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 2.0050 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -4.0910 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4400 -3.7850 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -5.2890 -4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -7.1310 -3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -7.4730 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -7.4660 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -0.0620 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -0.8350 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 0.9930 2.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 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 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 2 0 0 0 0 M CHG 1 27 -1 M END