PUBCHEM-ZINC03716136 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1360 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4890 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.8710 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.6360 2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0150 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.8300 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -3.9720 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -4.4220 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -3.5910 -1.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.5820 -0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -1.8380 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -5.5650 -2.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -2.5300 4.3010 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0900 -1.8580 5.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -3.7460 4.3570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.1030 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -3.7130 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -4.4430 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -6.1220 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -5.8000 -2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END