PUBCHEM-ZINC05847213 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -2.5550 1.6260 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 0.4410 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.0980 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.6360 -2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -1.9730 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -2.6320 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -4.0020 0.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -4.3900 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -3.6470 3.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -5.9010 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -6.2260 0.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -5.0860 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -5.0200 -1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -7.4580 0.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -8.5090 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -9.8170 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -11.0740 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -12.0090 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -11.2540 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -9.9310 -0.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -11.6060 -2.2560 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8530 -12.8140 -2.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -10.6910 -3.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9460 2.3080 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 2.1940 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 1.3000 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 0.7390 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -0.0810 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.4480 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 0.9950 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -0.2840 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -1.7290 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -0.2890 -2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.9320 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.5420 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -2.0740 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 -2.6430 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -6.1890 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -6.3390 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -8.4640 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -11.2950 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -13.0860 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -0.5390 -0.1360 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.5260 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 43 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 43 1 M END