PUBCHEM-ZINC06856992 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 0.1710 -0.0150 -2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -1.1660 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -2.1650 -1.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -0.9430 -0.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -1.8970 -0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2850 -2.5240 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -2.7310 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -4.0090 -1.8500 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -4.4160 -2.8630 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7320 -4.4580 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -5.7740 -3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -6.8750 -2.5420 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9450 -7.0060 -1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -7.6000 -2.3630 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1590 -3.3430 -3.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -2.7100 -3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 -1.7480 -4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -1.3970 -5.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -2.0160 -5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -2.9820 -4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 -0.4500 -6.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -0.0620 -7.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -1.1450 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 0.0210 0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.3840 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 0.4660 -2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 0.7170 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -0.0530 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -3.2600 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -2.0720 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -5.9640 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -5.8890 -4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 -2.9580 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6690 -1.2700 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -1.7720 -6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -3.4440 -4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 0.6960 -8.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 0.3920 -7.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -0.9080 -8.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -1.7770 2.1100 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