PUBCHEM-ZINC04772463 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.9660 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 1.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.9620 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 3.3950 0.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 3.6850 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 5.1910 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 5.4250 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 5.5480 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 5.7490 0.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 5.7620 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 5.5670 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 5.5130 -2.4590 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6460 5.3260 -2.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 5.6560 -3.3410 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7280 5.4660 2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -0.0080 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 1.4580 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 3.2410 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 3.2310 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 5.6350 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 5.6440 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3640 5.9080 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 6.4600 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 5.0730 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 4.8050 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END