PUBCHEM-ZINC03766479 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.3940 -0.4200 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.4690 0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -1.0500 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -1.0890 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -1.6280 3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -2.1290 3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -2.1150 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -1.5760 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -2.6050 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -1.7590 5.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -0.2510 5.3450 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3170 0.1250 5.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 0.0370 6.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -1.0880 7.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 -1.1660 8.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -2.2630 6.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -3.4400 6.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 1.3870 7.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 1.8340 7.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 3.7710 9.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 5.2770 9.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 5.7040 8.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 6.6820 8.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 0.4030 4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 1.2450 3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.8490 2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 1.6240 1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 0.7940 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 0.1850 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -3.9780 4.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -1.4270 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 0.0610 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 0.1860 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -0.6920 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -1.6460 4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -2.5040 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -1.5740 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 1.3980 7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 2.0790 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 1.8610 7.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 1.1720 8.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 3.2830 10.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 3.5530 8.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 5.8010 9.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 5.5190 10.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 1.4270 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 2.4890 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 2.0900 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 0.6160 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 -0.4620 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -4.2060 5.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 3.2080 8.5000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5170 3.9090 7.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 3.2550 8.9590 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END