PUBCHEM-ZINC04557173 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.8830 1.4970 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -0.0100 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -0.6070 -2.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3500 -2.5090 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -2.6860 -0.4790 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7130 -2.2780 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -2.2520 0.5110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5360 -2.6700 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -2.7640 1.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1910 -3.8540 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -2.2620 2.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -2.6740 1.4180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8130 -3.7630 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -2.1410 1.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -2.6600 3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -3.6620 3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -4.1880 4.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -3.7160 5.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -2.7180 4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -2.1920 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -1.1270 2.8570 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8600 -0.7170 3.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -0.6600 1.8220 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2640 -2.2840 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -2.8570 4.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -0.8260 0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -4.1130 -0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 1.8700 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 1.8460 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 1.8660 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.2160 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -4.0300 3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -4.9690 5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -4.1290 6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -2.3510 5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -1.1970 2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -2.5920 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -2.5960 4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -0.4800 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -4.5150 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END