PUBCHEM-ZINC04536193 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 -1.4020 0.2970 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.8440 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.9830 1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -1.6720 1.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -2.8780 0.2170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6370 -2.9180 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.0900 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -4.1010 2.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -2.9470 -1.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8080 -3.9870 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -2.1850 -2.2170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0540 -2.5990 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -2.3080 -3.4580 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9210 -1.8520 -3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -1.6440 -4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -1.9690 -5.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -1.5960 -6.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -3.6850 -3.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -3.6560 -4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -0.7950 -1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -0.5760 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -2.2720 -0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -3.1280 -0.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3840 -3.4240 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 -2.2840 0.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2690 -1.4050 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2630 -3.1190 0.6170 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.8710 -3.1260 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -4.5460 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 -5.0600 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -4.3060 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -6.5690 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 -7.2510 1.5080 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.1000 -2.6020 1.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -1.8500 1.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -0.3430 2.0760 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -0.2600 3.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 0.5100 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 0.8990 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 0.9270 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -0.0920 3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -1.4670 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -5.0300 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -0.5560 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -2.0410 -4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7420 -5.1800 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8220 -1.6640 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -6.9450 0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -0.3600 2.1490 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 35 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 34 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 48 2 0 0 0 0 34 47 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 2 0 0 0 0 36 49 1 0 0 0 0 M CHG 1 33 -1 M CHG 1 49 -1 M END