PUBCHEM-ZINC02165331 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.1310 1.3060 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.1540 0.0480 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5490 -0.6960 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.8630 2.3870 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -1.2750 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -0.4580 -0.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9930 0.4780 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -1.2410 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -2.3040 -1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -0.6960 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 1.5530 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 1.7270 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.7210 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -1.6670 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 0.0030 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -2.3420 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -0.9410 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.3190 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -1.7840 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.3850 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -0.7580 -2.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -1.2960 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 2 1 M END