PUBCHEM-ZINC05926477 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 0 0 0 0 0 0999 V2000 0.0220 1.4610 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.7670 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.0730 0.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -2.8200 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.1540 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.7500 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.2760 -2.4870 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1940 -0.0680 -3.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.0630 -3.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0350 -3.5710 -1.5800 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -4.7920 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -6.1550 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -7.0850 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -8.3140 -0.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -8.1170 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -6.8480 -1.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -9.1640 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -6.6470 1.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -5.3620 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -4.4550 0.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.8220 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.8300 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.8200 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.3900 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -8.8960 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.0420 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 M CHG 1 2 1 M CHG 1 8 1 M CHG 1 10 -1 M END