PUBCHEM-ZINC05594669 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3160 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -0.6770 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.0500 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.4530 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 2.0380 0.0130 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 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -0.2820 -0.0370 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 3.9580 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 3.5470 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 4.0010 -0.5440 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3800 5.0890 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 3.4280 0.8940 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9150 4.0000 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 3.6090 1.2820 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5910 4.6340 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 2.6640 2.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 2.7960 3.3790 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2120 2.9280 4.4200 N 0 5 0 0 0 0 0 0 0 0 0 0 6.6350 2.0460 0.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 3.4190 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 3.9440 -0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -2.0600 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.8230 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 0.8280 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 2.6280 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 4.3290 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 1.6400 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 2.3330 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 3.6890 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5210 3.6170 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -2.5510 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5400 -0.0290 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 26 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 25 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 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 2 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 M CHG 1 20 1 M CHG 1 21 -1 M END