PUBCHEM-ZINC05606834 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 1.5160 0.7540 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -0.6030 -0.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -0.7600 -0.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8800 0.1060 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.0140 -0.8280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8910 -2.1230 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -3.1740 -0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -3.4970 0.9100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4320 -4.3380 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -2.3220 1.7980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3370 -2.2850 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -0.9560 1.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2360 -0.1670 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -0.8890 1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 0.0220 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -3.9140 1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -5.2390 0.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0080 -5.5000 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -5.3310 -0.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1870 -6.2900 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -5.2160 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -6.1970 1.8890 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5040 -7.2280 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -6.0380 2.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0220 -6.7400 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -6.2390 1.7770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8170 -7.2630 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -6.0410 2.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -6.8160 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -4.7160 3.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -4.1460 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -2.0060 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 0.7740 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 1.3360 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 1.1940 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -4.1860 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 -5.4090 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -1.2110 -2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -1.8620 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -2.5560 3.2200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4030 -2.0440 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -3.5530 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.1750 3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 -5.8770 2.8210 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6480 -6.6210 3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 -5.7030 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -5.0300 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -4.2800 -1.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9720 -4.5090 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -4.0520 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -3.3660 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -3.3360 -2.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -3.9510 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -3.2400 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 32 38 1 0 0 0 0 32 39 1 0 0 0 0 32 52 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 40 1 M CHG 1 44 1 M CHG 1 48 1 M END