PUBCHEM-ZINC03159604 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.4260 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.5700 -1.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6600 -0.1680 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.1060 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.5630 -2.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -1.4920 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -1.5740 -3.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -0.3220 -2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -3.7930 -2.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -4.7800 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -6.0920 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -7.2880 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -8.3540 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -7.8630 -3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -6.5310 -3.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -8.7030 -4.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0280 -10.0120 -4.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -8.1360 -5.3500 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0070 1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.7870 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7790 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -2.4670 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.4360 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -4.5500 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -7.3130 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -9.3920 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END