PUBCHEM-ZINC04517807 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -0.6080 1.5320 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 0.0390 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -0.5970 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.9660 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.7020 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.0680 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.6970 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 0.0990 -2.7640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -4.4470 0.1950 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -4.9140 -1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -4.6730 1.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -5.0830 0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -4.9650 -0.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4000 -4.1080 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -6.2380 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -4.7770 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -4.7440 1.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -2.6460 2.5110 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7290 -1.9890 3.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -3.8620 2.5700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3500 2.0240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 1.7890 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 1.8620 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.0230 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -2.6420 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -5.5330 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -6.3750 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -7.0960 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -6.1510 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 -4.6450 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -4.5260 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END