PUBCHEM-ZINC03643623 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 0.7100 1.1060 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -0.2920 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -0.8720 -0.0400 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 0.1040 1.2340 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -0.7500 -1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.4890 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.4190 0.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -2.6070 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -2.6680 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.8590 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -2.9910 4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -2.9320 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.7440 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -3.0730 3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -2.9270 3.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -3.1950 5.8310 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5190 -3.8930 6.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -2.6640 6.3180 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7880 1.2500 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 1.5360 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 1.5970 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 0.9040 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 1.1890 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 0.3180 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 -2.5650 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -2.9040 4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.7020 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -3.3070 4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END