PUBCHEM-ZINC02729460 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -4.0390 2.0420 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 0.7800 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 0.7620 -0.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -0.4440 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -0.3780 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -1.5450 3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -2.7760 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -2.8590 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.6850 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -4.1470 0.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -4.5260 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -3.7630 -1.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -6.0340 -0.9800 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4560 -6.1920 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 -6.3580 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -6.3860 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -7.2780 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 -6.9640 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -7.0300 0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8880 -8.0360 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -7.0110 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -6.1690 1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 2.7420 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 1.8350 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 2.5070 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 0.5650 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -1.5000 4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -3.6790 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -1.7150 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -4.9390 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -5.6380 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -7.3410 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 -5.3710 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 -6.7360 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 -7.1670 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -8.3280 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 -5.9700 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 -7.6780 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 -7.8260 2.2660 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 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 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 39 -1 M END