PUBCHEM-ZINC05644043 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -1.6860 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -2.2790 -1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -2.2710 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -3.8580 -1.4980 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -3.6580 -2.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -4.8300 -0.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 -4.4170 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -4.5380 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -4.9760 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -5.2940 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 -5.1740 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -4.7400 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 -4.6160 1.0110 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9430 -4.9010 2.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -4.2290 0.9800 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.8990 -5.8520 -1.3410 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.3090 -5.5300 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7330 -7.6520 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9720 -8.1460 -0.4340 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.0010 -8.2410 -1.4800 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.0960 -7.9560 -2.7070 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -2.4270 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -1.5840 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -4.2890 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2000 -5.0700 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 -5.4220 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END