PUBCHEM-ZINC05820770 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 0.0830 1.4980 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 0.0350 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.5070 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.9790 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -2.5210 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -4.0090 2.5700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2580 -4.5880 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -4.5360 3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -5.3720 4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -5.8260 5.6890 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8710 -6.9180 5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -5.4610 7.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2930 -6.0060 7.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -5.9580 8.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9390 -5.6230 9.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -5.5240 7.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 -5.8390 6.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1040 -6.9220 6.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -5.2670 5.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3170 -5.2850 6.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -7.3890 8.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -7.6760 9.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -3.9450 7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -3.6520 8.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -2.9940 9.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -2.6790 10.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -3.3550 11.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -3.5670 12.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -4.1690 3.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 1.6330 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 1.8650 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 2.1170 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -0.0690 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -0.5500 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -0.3970 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 0.0850 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -2.0850 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -2.5710 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -2.3730 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -1.9350 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -4.1800 3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -5.7600 4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -4.4480 8.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 -6.0250 8.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5190 -5.5600 5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -3.3800 7.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -3.5480 6.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -3.9910 8.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -2.6560 9.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -1.5950 10.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -2.9580 10.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -3.7320 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -3.6010 12.7380 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 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 19 1 0 0 0 0 17 20 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 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 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 1 53 -1 M END