PUBCHEM-ZINC05389849 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.0300 1.5060 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 0.0900 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.5740 0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 0.0650 0.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -0.6110 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -1.8970 -0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -2.1280 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -3.2930 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -3.2080 -1.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 -2.0020 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 -0.8280 -0.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -0.9650 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -0.0020 -0.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 1.3830 0.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1370 1.5150 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 1.8280 1.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4550 1.0000 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 2.9620 1.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9670 3.7760 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 3.4520 -0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0110 4.0440 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 2.2420 -0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 4.2290 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 4.6490 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 3.8580 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 2.3810 1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 2.1470 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 2.3430 1.9880 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9680 -4.5150 -1.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -0.6060 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 1.6800 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 1.6880 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 2.1990 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.0730 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 -1.9760 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 3.6210 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 5.1210 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -4.5840 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 -5.3100 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -0.6960 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -1.6040 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -0.0160 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 30 42 1 0 0 0 0 M CHG 1 28 -1 M END