PUBCHEM-ZINC05585946 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 0.3210 1.6490 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 0.2580 -1.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.3280 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -0.5110 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 0.0430 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -0.7190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -2.0320 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -2.5870 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -1.8280 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -3.0020 -0.1790 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -4.3050 0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -2.2280 0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -3.1520 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -4.3980 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 -4.5170 -3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 -3.3890 -4.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 -2.1440 -3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -2.0260 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -0.6930 -1.7520 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0380 0.3100 -2.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 -0.5980 -0.6280 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.3810 -3.5160 -5.4740 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5250 -4.6130 -5.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 -2.5220 -6.0400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2880 2.0840 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 2.2170 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 1.6820 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -0.7820 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -1.0890 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 0.4520 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 1.0680 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -0.2900 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -3.6120 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -2.2600 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -5.2790 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -5.4900 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 -1.2630 -4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END