PUBCHEM-ZINC04648317 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0090 1.4920 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.0000 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -0.7250 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -2.0770 1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -2.8850 0.2780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7950 -2.9930 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -4.0820 1.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1660 -4.8760 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -3.0710 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -3.1250 3.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -4.6370 0.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -5.6630 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -6.2170 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -6.0660 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -7.2260 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -8.5260 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -9.6010 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -9.3880 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 -8.0980 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 -7.0210 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -2.1400 -1.1980 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -2.8640 -2.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.5970 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.0060 2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 0.6240 3.0400 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1230 1.9150 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 2.0040 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 1.7310 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -4.2620 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -6.3320 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 -5.2050 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -8.7060 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -10.6040 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -10.2260 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -7.9290 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -6.0220 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -0.7940 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 0.1000 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -0.1150 3.6430 O 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 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 2 0 0 0 0 M CHG 1 25 -1 M END