PUBCHEM-ZINC06335313 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2150 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.8480 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 4.2720 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 4.2320 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 4.3300 1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 4.5700 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 5.9470 2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 6.0230 3.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 5.9080 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 4.5350 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -0.6810 -0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7440 -0.0530 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -1.8990 -0.0430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2380 -2.0770 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -2.6220 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -3.5570 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -3.9310 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -2.6120 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 3.8010 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 4.5520 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 6.0870 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 6.7240 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 6.0210 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 6.6850 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 4.4940 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 3.7620 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -3.1860 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -1.8100 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -4.4450 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -3.0300 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -4.7450 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -4.1860 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -1.9120 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -2.8120 -2.0090 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END