PUBCHEM-ZINC06635728 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 1.6210 -0.0300 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -1.2720 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -1.6380 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -2.8830 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -3.1480 0.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -4.2100 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -5.1010 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -6.1440 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -6.3110 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -5.4340 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -4.3790 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -5.5760 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8530 -4.5650 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 -6.8920 0.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 -7.4100 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3500 -6.5350 0.5000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 -8.7500 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7220 -9.8430 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5310 -9.8310 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2820 -10.9630 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2140 -12.1150 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3980 -12.1490 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6480 -11.0250 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 -11.1280 2.9570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -11.1270 -10.9470 -1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0890 -9.8960 -2.6790 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6570 0.2150 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.8320 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1860 2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -1.0940 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -2.1060 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -1.8100 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -0.8020 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -2.6970 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -3.7320 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -5.0080 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -6.8230 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -7.1070 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -3.6830 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -7.5990 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -8.9940 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5660 -8.9650 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7920 -12.9970 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3480 -13.0560 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8050 -11.9920 -2.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 45 2 0 0 0 0 M CHG 1 26 -1 M END