PUBCHEM-ZINC00710955 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 0 0 0 0 0 0999 V2000 0.4220 2.0450 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 0.5220 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.0660 -1.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -0.1780 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -1.4640 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.6050 -2.2680 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.5730 -2.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -0.8830 -1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 0.7470 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 0.9460 -4.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 2.0050 -5.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 2.8710 -5.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 2.6760 -4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 1.6020 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 3.6000 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 3.4280 -2.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 4.6340 -4.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 5.4440 -4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 6.7980 -4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 7.6000 -4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 7.0590 -4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 5.7060 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 4.8970 -4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4420 5.1590 -3.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 5.6120 -4.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6140 6.5520 -4.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8790 4.9660 -3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0890 5.4320 -4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2720 4.8240 -3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2620 3.7550 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0660 3.2880 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8750 3.8830 -2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5350 3.1080 -2.5310 N 0 3 0 0 0 0 0 0 0 0 0 0 -14.5890 3.5170 -2.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5290 2.1660 -1.7580 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4340 2.4260 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 2.3110 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 2.4830 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 0.2560 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 0.1420 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -0.2040 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 0.6800 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -2.3230 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 -1.5470 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -1.4380 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 0.2710 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.1550 -6.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 3.6980 -5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 1.4430 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 4.8150 -5.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 7.2240 -5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 8.6520 -4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0220 7.6880 -4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 3.8440 -3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 4.4540 -2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0990 6.2670 -4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2090 5.1840 -4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0650 2.4530 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9420 3.5140 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 49 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 50 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 M CHG 1 33 1 M CHG 1 35 -1 M END