PUBCHEM-ZINC02797629 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.8020 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.0850 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.0760 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.8200 -1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.2660 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -3.2350 -2.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4420 -3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -4.5450 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -5.1420 -4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -6.5170 -4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -7.3070 -3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -6.7380 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -5.3460 -2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.5090 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.2860 1.5340 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0710 -3.1640 2.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -4.3960 1.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.4720 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -4.5320 -5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -6.9820 -5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -8.3830 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -7.3630 -1.5170 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 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 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