PUBCHEM-ZINC03107031 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7060 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.2250 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.1010 3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.4710 3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -2.9620 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.0880 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -2.3930 -0.7890 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6640 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.0640 -2.7100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -1.4290 -3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -2.1980 -3.6870 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -1.0940 -4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -1.2070 -5.0340 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3450 -0.2800 -5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 -0.1820 -6.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 0.8440 -7.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 1.7990 -7.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 1.7240 -7.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 0.6900 -6.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 0.3220 -5.5150 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 -2.3080 -4.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 0.8380 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.7200 4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -3.1520 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -4.0290 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -1.1640 -4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -2.1290 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 -0.9180 -6.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 0.9080 -7.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 2.6020 -8.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 2.4680 -7.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -2.0060 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 -2.5560 -5.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -3.1800 -4.3430 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 2 10 2 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 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 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 M CHG 1 2 1 M CHG 1 15 1 M END