PUBCHEM-ZINC03869423 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.2350 1.7160 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.3950 -0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -0.4800 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 0.0350 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4140 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 2.3170 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 1.6330 0.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 0.4080 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -0.5820 0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 2.9210 0.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6950 3.6950 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 3.1830 2.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9850 2.2250 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 4.0080 1.8490 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6180 3.9800 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 3.3580 0.6410 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1360 2.4270 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 2.9520 -0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 4.2390 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 3.4360 -1.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 3.5780 -1.2650 P 0 0 3 0 0 0 0 0 0 0 0 0 10.3460 4.9750 -1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 2.4220 -2.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 2.2550 -2.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9540 0.9310 -3.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2060 3.3520 -3.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 5.3770 1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 5.3720 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 3.9490 2.5820 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7430 -1.8310 -0.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 2.3800 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 0.3050 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 5.0420 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 4.6770 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.1300 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -2.4820 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 2.9670 0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 2.3450 -1.0400 O 0 5 0 0 0 0 0 0 0 0 0 0 11.3970 2.6770 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 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 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 27 28 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 38 -1 M END