PUBCHEM-ZINC03160648 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.2630 1.3490 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.1290 -0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9800 -0.6440 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.4160 1.2100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8220 -0.0270 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9780 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -2.5050 2.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 0.0970 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 1.3880 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 2.2590 2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 1.7160 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 2.8070 4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 3.1270 6.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 2.4490 6.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 1.4040 5.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 1.0010 4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.6330 -1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -1.5380 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 1.9060 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.4830 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 1.7940 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.6380 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 3.3950 4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 3.9640 6.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 0.8810 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 0.1670 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -2.5080 0.1650 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 M CHG 1 27 -1 M END