PUBCHEM-ZINC02859621 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -1.2960 -1.4860 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -1.6180 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -0.2740 1.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5780 0.4280 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 0.3520 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.6770 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 2.3110 3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 1.9750 3.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 3.3520 4.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 4.0180 5.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 5.0710 5.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 5.4690 5.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 5.7120 6.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 6.9800 6.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 6.9880 5.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 8.1610 5.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 9.3330 5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 9.3390 5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 8.1620 6.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 10.5670 4.6530 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2290 10.5320 4.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 11.5730 4.6250 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7730 -0.5930 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -1.0310 2.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -0.7720 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -2.4540 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -1.1570 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -2.3150 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -2.0850 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 0.5350 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -0.3420 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 1.5310 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 2.3900 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 3.6700 4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 3.6800 5.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 4.9990 7.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 5.9290 7.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 6.0820 5.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 8.1400 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 10.2390 5.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 8.1680 6.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -0.3570 0.9250 O 0 5 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 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 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 42 -1 M END