PUBCHEM-ZINC03869302 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 44 0 0 1 0 0 0 0 0999 V2000 -1.5490 -0.3510 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.1100 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.4150 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -0.6930 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.0360 2.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 0.4390 3.5820 P 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.2800 2.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.8010 -1.2530 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0300 -0.4290 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.6140 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -1.4870 -1.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.5400 -2.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 0.8350 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 1.9290 -1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 2.4110 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 1.7550 -3.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 3.6510 -2.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 4.4300 -2.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0060 3.7690 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 5.1180 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 4.0080 -5.5090 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 2.8900 -4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 5.6060 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 5.7850 -0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -2.2130 -1.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 0.0090 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -1.4160 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 0.1730 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 1.9290 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 1.6710 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 1.8360 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -1.7590 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -0.5980 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 1.2230 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -0.0770 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 1.1500 -3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 2.7750 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 1.5590 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 4.1330 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 5.5100 -4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 5.9630 -4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -2.6130 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 1.2220 4.5790 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7690 -0.8780 4.1260 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5670 6.2240 -2.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 -1 M END