PUBCHEM-ZINC06856985 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -1.5210 0.8970 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 0.2170 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 0.8580 0.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.1450 -0.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.0740 0.5610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3070 -1.5660 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -2.6740 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -1.4650 2.4940 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -2.2920 2.7620 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9270 -3.3040 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -1.5230 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 -1.7550 0.5880 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3440 -2.8870 0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -0.7950 -0.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2280 -2.4380 4.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -3.6770 4.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -3.8400 6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -2.7740 7.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -1.5330 6.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -1.3660 5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 -3.0700 8.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 -2.0240 9.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -3.3400 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -3.5650 -1.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.3040 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 0.2020 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 1.7090 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -1.6130 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -3.0420 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -3.5180 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -1.8870 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -0.4410 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -4.5300 4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -4.8090 6.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -0.6710 7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -0.3780 4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 -2.4240 10.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -1.1910 9.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -1.6850 8.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -3.9870 0.6790 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 29 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 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 40 -1 M END