PUBCHEM-ZINC06282483 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.1250 1.3450 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.0750 0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -0.7500 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.0740 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.7740 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -2.1600 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -2.8760 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -2.2100 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -2.9320 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.8840 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -3.7260 -1.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -4.2950 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -3.8380 0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -4.1060 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -5.2800 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -5.6870 -2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -6.6160 -2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -7.1480 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -6.7500 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -5.8260 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -7.2740 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -8.2280 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -7.0110 -4.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -7.9740 -4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.0620 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -1.9070 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -1.1350 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -0.5110 -3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -0.6580 -3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -1.4310 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -2.8670 4.0920 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6330 -2.1860 5.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -4.1770 4.0390 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8780 1.7670 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 1.7610 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.5890 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 1.0010 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -0.2370 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -3.9500 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -5.2740 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -7.8740 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -5.5220 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 -7.7650 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 -9.0800 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -8.5660 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -8.8860 -3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 -7.5710 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -8.2020 -5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -2.3910 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -1.0140 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 0.0940 -3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -0.1680 -4.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -1.5480 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 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 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END