PUBCHEM-ZINC06239445 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 -0.6540 0.5860 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -0.7490 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.0900 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -0.2050 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -0.6430 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 0.2570 4.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -0.1670 5.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -1.5820 5.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -2.0110 6.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -2.3980 4.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.3550 4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -1.9690 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -2.8640 2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -2.4300 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -3.2300 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -4.5820 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 0.7280 6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 1.0260 7.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -0.1190 8.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -0.2480 9.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -0.9850 9.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -0.6760 10.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 0.2250 11.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 0.4900 10.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 2.3210 7.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 3.5560 6.3600 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 2.5160 8.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 3.6420 9.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 3.2520 10.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 4.4280 10.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 5.0280 11.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 4.5360 12.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 4.2840 13.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 3.2730 13.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 3.7020 12.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 1.3010 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 0.6760 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 0.8180 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 0.8300 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 1.2850 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -3.8860 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -5.1270 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -5.0590 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -4.6420 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 0.2840 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 1.6440 5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 0.0210 8.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -1.0390 7.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -1.6590 8.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -1.0620 11.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 0.7430 12.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 1.8370 9.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 4.4520 9.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 3.9840 8.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 2.3960 9.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 2.9210 11.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 5.2510 11.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 4.7980 9.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 5.1590 10.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 5.9600 11.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 5.3010 12.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 3.6250 12.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 3.1160 14.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 2.3310 13.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 4.6240 13.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 2.9030 12.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 3.9940 11.4880 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8300 3.1290 11.1140 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 3 4 1 0 0 0 0 3 14 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 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 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END