PUBCHEM-ZINC06394735 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.6860 -1.0980 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -1.8900 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -1.4820 -0.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1770 -2.0860 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -1.3970 1.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6670 -0.3270 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -1.6360 -0.4700 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -2.1920 2.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5790 -3.2310 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -2.2050 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -3.1320 4.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -2.9710 4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -1.6240 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -0.5540 2.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.0100 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 0.9130 -0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -3.3940 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -1.1800 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -1.4800 -3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -0.0340 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -2.5340 3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -1.2170 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -3.6170 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -4.0270 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -3.7120 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -1.8770 1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -2.8950 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -2.3260 3.5180 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0580 0.0910 -0.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 -1 M END