PUBCHEM-ZINC05469708 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 0 0 0 0 0999 V2000 0.4880 1.8890 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 0.4010 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -0.3100 1.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1270 -0.4880 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -0.0680 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -0.3420 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -1.0360 4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -1.4570 4.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -1.1870 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -1.5790 2.6350 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -0.7900 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -0.6880 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -1.3200 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -1.2010 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -1.5240 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -1.3960 -4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 -0.9500 -4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -0.6280 -3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -0.7490 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 -0.4410 -0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 0.1260 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 2.0120 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 2.4180 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 2.2960 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 0.2780 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -0.0060 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 0.4730 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -0.0140 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.2450 5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -1.9970 5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -1.8940 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -1.8720 -3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.6460 -5.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -0.8540 -5.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -0.2810 -3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 1.1470 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 0.1380 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 11 2 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 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M CHG 1 3 1 M END