PUBCHEM-ZINC05732387 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 0.1120 0.1850 -3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 1.2590 -3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 1.9250 -4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 0.6140 -3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -0.0470 -1.5500 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.0280 -0.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -0.7380 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 0.0080 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 -0.5340 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 -1.8220 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -2.5680 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -2.0240 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -2.8210 -2.4170 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3210 -3.9140 -2.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -2.3830 -2.4680 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.7540 -2.4030 -0.8520 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.6370 -1.7460 -0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 -3.5380 -1.2310 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0700 0.6440 -3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.2900 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.5650 -4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 2.0090 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 1.1760 -5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 2.6900 -4.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 2.3850 -5.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 1.3620 -3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -0.1960 -3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 1.0140 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 0.0490 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -3.5740 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 16 1 M CHG 1 18 -1 M END