PUBCHEM-ZINC06793923 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6300 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -4.1740 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.5480 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.7980 5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -3.4570 6.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -3.7770 7.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -3.4130 7.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -4.5690 9.0190 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -4.7360 10.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -5.4080 11.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -6.7260 11.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -6.9380 12.9170 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1620 -8.0700 13.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -8.0090 14.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -6.7630 15.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -5.6760 14.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -5.7570 13.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -4.7800 12.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -3.8240 12.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1000 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7080 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.4700 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -4.4890 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -4.6480 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -3.4980 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -1.9090 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.8470 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -3.4370 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -3.6630 6.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -3.7490 10.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -5.3380 9.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -7.4930 10.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -9.0250 13.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -8.9110 15.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -6.6860 16.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 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 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 20 1 M END