PUBCHEM-ZINC01079114 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 1.0160 1.4900 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 0.0080 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -0.6100 0.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -1.9370 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -2.5990 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -3.9460 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -4.6380 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -3.9750 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -2.6260 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -6.0050 1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -6.8260 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -6.3990 -0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -8.2390 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -9.0710 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -10.5110 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -11.2470 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -12.5990 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -13.2290 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -12.5090 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -11.1580 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -14.6820 1.2960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3300 -15.3190 0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -15.2390 1.8540 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0370 -8.7420 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -9.1400 3.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 1.5880 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 1.9620 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 1.9770 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -0.0900 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -0.4790 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -2.0600 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -4.4620 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -4.5120 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -2.1090 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -6.3600 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -8.6700 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -10.7570 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -13.1690 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -13.0080 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -10.5980 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 33 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 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 3 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END