PUBCHEM-ZINC03869953 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 36 0 0 1 0 0 0 0 0999 V2000 0.0210 1.5250 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.0060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 0.3760 -0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -1.7570 0.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -2.4130 0.2750 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7820 -1.8560 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -2.6030 1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -1.0800 2.6820 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -0.0130 1.5390 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -3.8090 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -4.3780 -0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.3740 -0.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 -5.7190 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -6.0980 -1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 -5.1820 -1.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 1.9560 -0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0230 1.4950 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 3.4920 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 3.8220 -0.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 1.9240 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.9700 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -0.4690 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -0.3870 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -2.3610 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -3.1520 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -3.2220 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 0.5350 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 -3.9000 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -5.7500 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -6.4250 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 -7.2570 -2.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0750 4.1400 0.9380 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1900 1.5150 -1.2820 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5810 1.3330 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 0.8000 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 2.4440 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 M CHG 1 32 -1 M CHG 1 33 -1 M CHG 1 34 1 M END