PUBCHEM-ZINC05842044 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.6920 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 0.0150 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -0.2790 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -1.2240 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -1.8450 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -1.5700 -0.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 1.0710 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 2.0600 -3.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.0440 -3.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 0.0050 -3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.7200 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -1.6630 -2.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -1.9810 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -1.3400 -4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -0.3170 -4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -1.7240 -5.8630 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9940 -2.6110 -5.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -1.1530 -6.9180 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8050 2.2290 -4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 0.2200 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -1.4750 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -2.5680 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -2.7550 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 0.2040 -5.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 2.9630 -4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 1.9450 -5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 2.6610 -3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 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 10 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 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END