PUBCHEM-ZINC04557370 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3420 -5.0300 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -6.3160 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -7.2920 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -8.6200 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -9.0610 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -8.1780 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -6.8320 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -5.9020 -0.1550 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3400 -6.3740 -0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -4.6010 -0.1400 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3540 -10.5160 -0.1380 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4280 -11.3070 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -10.9240 -0.1780 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6550 -4.9760 1.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -5.0800 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -6.9580 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -9.3420 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -8.5660 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -4.7090 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -6.1700 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -4.6930 -2.4020 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 22 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 19 1 M CHG 1 21 -1 M END