PUBCHEM-ZINC05976324 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.6100 2.1700 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 0.6890 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 0.2500 0.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.1420 0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -1.5560 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -2.3400 0.1840 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0020 -1.9320 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -3.8130 -0.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5010 -4.2100 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -4.6020 -0.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2000 -5.6600 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -4.4080 1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6450 -4.8180 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -2.9120 1.3440 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9730 -2.7660 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -2.2340 1.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -2.2460 -0.0150 S 0 3 0 0 0 0 0 0 0 0 0 0 -6.6260 -2.8760 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -0.9940 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -5.0920 1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 -5.5630 2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4400 -5.4090 3.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 -6.2850 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -4.1170 -1.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -5.0020 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -6.1440 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -4.5720 -3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -3.9290 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.8630 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -3.7140 -0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -3.9760 -2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 2.6800 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 2.5490 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 2.3540 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -1.7100 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -1.9050 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 -6.3260 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 -7.2980 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0610 -5.7520 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -4.7220 -4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 -5.1660 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -3.5180 -2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -4.1060 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.0690 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -4.8350 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 M CHG 1 17 1 M END