PUBCHEM-ZINC05941126 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3170 0.0090 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 1.1480 -0.6770 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.0500 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.4530 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 2.0380 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 1.8990 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 0.8020 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -0.2820 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 3.2980 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1490 3.9640 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8940 3.5770 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 4.2690 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 4.5660 0.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9280 4.3880 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 3.5800 1.2100 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3940 2.6680 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 4.1920 2.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 5.9160 0.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 4.7120 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 6.0760 -2.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 6.8980 -2.0820 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2230 7.7210 -1.8840 N 0 5 0 0 0 0 0 0 0 0 0 0 1.1570 -2.0600 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.8230 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 0.8280 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 3.2470 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 4.3880 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 6.5780 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9890 4.6900 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 4.0400 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -2.5510 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5400 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 22 23 2 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 M CHG 1 22 1 M CHG 1 23 -1 M END