PUBCHEM-ZINC03638758 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 0 0 0 0 0999 V2000 -0.0230 1.8190 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.6210 1.5120 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -0.6350 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.5230 -1.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -0.1040 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -0.8690 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 -0.4410 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 0.7490 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 1.5120 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 1.0860 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 1.2050 -1.7470 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9700 0.5340 -1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 2.2530 -2.3130 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 2.1960 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1800 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1700 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -0.2740 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -1.7250 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -0.2840 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -1.7980 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 -1.0360 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 2.4410 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 1.6810 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END