PUBCHEM-ZINC01160237 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.5050 2.4880 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 1.0760 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 1.0430 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 0.5240 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.6120 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -1.1360 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -0.5420 -3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 0.6030 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 1.1280 -2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -1.1090 -4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -1.2220 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -1.8260 -6.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -2.1730 -5.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -1.9630 -7.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -2.3960 -8.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 -2.6880 -8.7990 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -2.5750 -9.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -2.5880 -11.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -3.0700 -12.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -3.0980 -13.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -2.6300 -14.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 -2.1310 -13.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -2.1040 -11.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -2.6540 -15.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -3.1250 -16.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5000 2.5100 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 3.2090 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 2.8370 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 0.4370 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 1.7050 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 0.0300 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 1.3630 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -1.1010 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -2.0190 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 1.1120 -4.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 2.0180 -3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -1.4700 -3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.8910 -6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -1.6920 -7.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -2.7610 -9.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -3.4460 -11.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -3.4870 -14.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -1.7460 -13.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -1.6600 -11.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 -2.1980 -16.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 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 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 2 0 0 0 0 M CHG 1 25 -1 M END