PUBCHEM-ZINC02832567 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 1.0180 0.3640 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.1250 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -1.7770 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -3.1430 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -3.8570 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -3.2050 -1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -1.8390 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -5.5980 -0.1320 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -6.1100 -1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -6.0440 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -5.8420 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -5.4500 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -6.1050 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -5.6960 -2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -6.3230 -2.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -5.7460 -3.0310 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.3120 -6.6060 -2.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -4.3430 -2.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 -5.9710 -4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 -4.8740 -5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 -5.0500 -6.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -6.3240 -7.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -7.4210 -6.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 -7.2440 -5.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 -8.4190 -4.3450 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7240 -9.5440 -4.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -8.2610 -3.1460 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0890 0.5660 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 0.7770 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.8240 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -1.2190 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -3.6520 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -3.7630 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -1.3290 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -6.2450 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -4.3660 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -5.7760 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -7.1900 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -5.7800 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -4.6120 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -6.0220 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 -7.0770 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 -3.8780 -5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -4.1930 -7.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -6.4620 -8.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -8.4160 -6.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 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 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END