PUBCHEM-ZINC02979918 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -4.6780 -1.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -5.0790 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -4.6940 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -3.8980 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -3.5390 -4.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 -3.9680 -4.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 -4.7620 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 -5.1310 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9900 -5.1800 -3.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4040 -5.9920 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -3.6110 -5.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 -2.7950 -6.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5820 -2.5040 -7.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3860 -1.3860 -7.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3660 -1.1100 -8.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5500 -1.9500 -9.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7420 -3.0800 -9.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7500 -3.3480 -8.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9330 -3.9840 -10.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 -4.9650 -10.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -5.5960 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -5.6960 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -3.5620 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 -2.9230 -5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -5.7510 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4560 -6.2550 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 -6.9010 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2700 -5.4400 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -1.8590 -5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -3.3200 -6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2470 -0.7250 -6.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9900 -0.2360 -7.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3160 -1.7350 -9.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -4.2180 -8.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8880 -3.7190 -11.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9750 -4.3390 -12.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 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 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 53 54 1 0 0 0 0 M END