PUBCHEM-ZINC03095511 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 0.0970 1.5550 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.1820 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.6290 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.0440 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 1.3300 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 2.1280 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 3.6010 -0.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5020 4.3060 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 4.1080 -0.0740 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5760 -0.8960 0.0080 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6790 -0.3870 0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -2.1060 -0.0850 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9600 -2.0970 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -2.6360 0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -4.0260 0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -4.5770 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -6.2590 0.8610 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -3.8040 0.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 2.1840 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -0.2630 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 1.7840 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -2.7240 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -4.5910 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -2.8650 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -4.1860 0.8330 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END