PUBCHEM-ZINC05664750 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 1.9080 1.4780 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 1.8940 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 3.0560 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 4.1490 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 3.7670 1.3600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4960 0.9340 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 0.4820 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.4620 -3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -1.6150 -2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -2.5330 -3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -2.2720 -5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -1.1180 -5.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -0.2070 -4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -1.1220 -7.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -0.2220 -7.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.4880 -9.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -1.6400 -9.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -2.5490 -8.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -2.2790 -7.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -3.0990 -6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 0.4210 -2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 1.1760 -3.7970 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6400 0.5450 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 1.3210 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 2.2200 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 3.3010 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 0.8210 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -1.8060 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -3.4210 -3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 0.6850 -4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 0.6650 -7.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 0.2030 -9.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -1.8260 -10.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -3.4400 -9.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -4.0860 -6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -3.1730 -6.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 5.3270 -0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -0.7010 -2.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 37 2 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 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 38 2 0 0 0 0 M CHG 1 5 -1 M CHG 1 22 -1 M END