PUBCHEM-ZINC05674944 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.0080 1.4330 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -0.0220 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -0.7660 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4390 -1.8280 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -0.5460 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -1.0460 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -0.8560 3.7290 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -2.1370 3.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 0.1700 4.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -0.2340 2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.6760 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -1.8840 -1.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.0080 -2.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.6790 -3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -0.1230 -4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.8040 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -2.0380 -5.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -2.5960 -4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -1.9170 -3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -2.7660 -7.2320 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.2770 -8.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -3.8540 -7.2720 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0680 1.6770 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 1.8650 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.8420 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -1.1030 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 0.5160 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -2.0940 3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -0.4370 4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 0.8560 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -0.6480 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.9780 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 0.8420 -4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -0.3720 -6.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -3.5600 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -2.3510 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END