PUBCHEM-ZINC03869382 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 1.2420 1.7630 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 0.5670 -1.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -0.2650 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 0.1660 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 1.4240 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 2.2760 -1.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 1.5910 0.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.4440 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -0.4370 0.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 2.7560 0.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2210 3.4640 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 3.4150 2.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3920 2.6170 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 4.0130 2.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1850 4.1880 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 2.9880 1.4120 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0160 2.2160 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 2.3340 0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8790 3.6380 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1220 2.4220 0.1320 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 3.5990 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4380 2.8670 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3900 3.8370 -2.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7260 4.6380 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6250 3.1270 -2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6260 3.3750 -3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 5.2820 1.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 5.4980 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 4.4120 2.1210 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4410 -1.4940 -0.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 2.3950 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 0.3100 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 4.1920 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 4.3240 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 4.2300 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7000 4.2390 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 2.2730 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 2.1560 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -1.7360 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -2.1170 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3950 2.4880 -1.8760 O 0 5 0 0 0 0 0 0 0 0 0 0 11.6870 4.5140 -3.1710 N 0 3 0 0 0 0 0 0 0 0 0 0 11.7320 5.5360 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 4.1540 -3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 4.2010 -3.9500 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 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 27 28 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 41 -1 M CHG 1 42 1 M END