PUBCHEM-ZINC01117209 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 0 0 0 0 0 0999 V2000 0.0520 1.7220 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.1930 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.3290 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -1.7920 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -2.4610 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -2.5890 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -3.2880 3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -2.6900 -1.3960 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -3.9600 -0.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -1.8600 -2.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -2.9650 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -4.0800 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -4.2980 -2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -3.3960 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -2.2780 -3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0680 -2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -3.6140 -3.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -3.4470 -5.1090 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -2.1700 -5.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -3.8410 -5.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -4.6350 -5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -4.2710 -6.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -5.2030 -7.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -6.4990 -7.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -6.8640 -6.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9300 -6.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -7.4980 -7.9830 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1990 -7.1770 -8.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -8.6400 -8.1170 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0760 2.0940 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 2.0360 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 2.1230 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -0.2080 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.1220 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 0.0730 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -0.0140 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -3.4540 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -1.8750 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -1.5960 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -3.1750 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -4.2800 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -2.7020 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -3.3780 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -4.7800 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -5.1690 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -1.5750 -4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -1.2010 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -3.8630 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -3.2580 -6.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -4.9180 -7.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -7.8770 -6.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -6.2140 -5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END