PUBCHEM-ZINC05353369 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 0.1110 -1.2600 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -0.5700 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 0.1490 -3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -0.3980 -5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 -1.6490 -5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -2.3070 -3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -1.7590 -2.7580 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6700 -2.4630 -1.5350 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.2110 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 1.1200 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 0.1370 -6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -2.1030 -5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -3.2810 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 M CHG 1 12 1 M CHG 1 13 -1 M END