PUBCHEM-ZINC04379078 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -2.0900 0.8010 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.4660 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -0.9840 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -2.2500 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -2.7420 2.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -3.8560 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -4.4010 1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -4.4250 3.7440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8520 -4.0160 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -4.0480 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -5.3160 4.8260 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -6.6090 4.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9120 -7.1250 5.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -5.8800 3.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -6.5070 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -5.8680 2.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -8.0020 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -8.4570 2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -9.9520 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -10.4950 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -11.8660 3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -12.6950 3.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -12.1530 1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -10.7810 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -7.5930 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -8.7310 3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -9.6330 2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -9.3980 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 -8.2600 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -7.3600 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 1.5630 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 1.1700 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 0.5720 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -1.2280 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.2360 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.2220 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -1.2130 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -3.0130 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.0210 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 -4.1680 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -3.0400 4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -8.4870 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -8.2750 4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -7.9720 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -8.1840 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -9.8470 4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -12.2900 4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -13.7670 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -12.8000 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -10.3570 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 -8.9150 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 -10.5220 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 -10.1020 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -8.0760 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -6.4730 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 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 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END