PUBCHEM-ZINC04703590 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0420 1.5250 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.0000 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.4810 -1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.8490 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -2.7620 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -4.1200 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -4.5620 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -3.6500 -2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -2.2980 -2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -1.3250 -3.6540 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7000 -1.5940 -4.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -0.2560 -3.3170 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1510 -5.0420 0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -6.4160 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -7.3790 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -7.1540 1.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -5.7780 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -4.8780 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -8.4160 1.5890 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -7.8210 1.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -9.3900 0.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -8.9870 3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 1.9590 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 1.8190 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 1.8830 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -0.2950 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -0.4350 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 0.1500 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.4160 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -5.6180 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -3.9960 -3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -6.6750 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -6.4920 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -8.4080 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -7.1900 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -5.7470 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -5.4340 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -3.8380 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -5.1580 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -8.1740 3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -9.8270 3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -9.3040 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END