PUBCHEM-ZINC01198247 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.1790 1.5020 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.0160 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.7530 -0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -2.1000 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -2.6700 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -4.0360 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -4.8510 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -4.2750 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -2.9070 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -2.2950 -1.8630 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6140 -3.0010 -2.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -1.0860 -1.8510 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1590 -6.3160 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -7.0230 -1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -6.8700 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -8.2500 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -9.1250 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -10.4860 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -10.9780 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -10.1030 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -8.7430 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -12.3570 -0.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -12.6570 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -14.1500 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -14.9180 0.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -14.5800 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -13.0700 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -15.9050 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -16.1700 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -16.6800 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 2.0890 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 1.6760 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 1.8000 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -0.2810 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.1580 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.0390 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -4.4780 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -4.9010 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -6.3130 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -8.7420 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -11.1660 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -10.4860 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -8.0620 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -12.4040 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -12.0730 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -14.4010 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -14.3860 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -15.1150 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -14.8570 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -12.7850 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -12.8110 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -16.1890 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -17.6940 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -16.7160 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END