PUBCHEM-ZINC05670095 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 0.1370 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -0.4950 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.8900 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.6420 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0090 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.7500 0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -3.0910 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -4.0000 2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -4.5820 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.3090 4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 1.5230 4.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -0.3020 5.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 0.4550 6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.7510 6.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 2.3090 7.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 1.4430 8.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -0.1860 7.5870 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 1.7920 9.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6880 2.9600 9.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 0.9100 10.1300 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.2150 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -2.3820 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -3.6810 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -2.1790 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -3.6710 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -4.2480 3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -4.2740 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -5.6680 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.2700 5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 3.3790 7.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END