PUBCHEM-ZINC06933097 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.1520 1.5580 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.1050 0.1010 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1990 -0.5400 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 0.0030 2.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.7500 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.1320 4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -0.9500 5.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -2.2710 5.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.7560 4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -2.0840 3.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.1160 7.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 1.1510 6.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 1.1770 5.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -0.5100 8.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6920 -1.4250 8.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.6680 8.9670 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0660 -0.5200 8.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 0.5290 9.9230 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1130 0.3730 10.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.8150 10.3280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2950 0.1270 11.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 0.5140 9.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 2.2540 10.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 2.3780 11.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 1.9090 10.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 1.6360 9.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 1.3670 8.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -1.7870 9.6700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1540 -0.6300 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 2.0750 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 1.8800 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 1.8090 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -1.6100 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 0.9950 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -3.8240 4.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 2.0040 7.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 2.9540 9.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 2.5500 11.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.1570 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -1.6720 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -0.5990 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 36 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 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 M CHG 1 2 1 M CHG 1 28 -1 M END