PUBCHEM-ZINC05851021 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 0 0 0 0 0 0999 V2000 0.0650 1.7480 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 1.7650 2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 1.5500 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 2.4540 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 2.6760 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 3.0400 4.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 2.4310 6.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 3.0270 7.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 4.2780 7.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 4.8870 6.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 4.3070 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 6.0700 6.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 6.7770 5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 6.1360 7.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 5.0570 8.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 7.2530 8.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 8.5590 8.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 9.6710 9.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 9.4560 10.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 8.1520 10.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 7.0320 9.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 5.7690 9.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 5.1950 11.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 8.2770 11.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 7.5350 11.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 9.6030 11.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 10.3370 10.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0190 10.0700 12.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6940 8.9230 13.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 10.8850 8.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 12.0290 9.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 0.9520 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 2.7320 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 1.6050 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 2.7630 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 1.0050 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 0.5010 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 1.7540 4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 3.2260 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 1.4970 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 2.5520 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 3.6680 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 1.4420 6.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 2.5300 8.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 4.8440 4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 8.7370 7.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 5.3030 11.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 5.6380 12.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 4.1260 11.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 10.5760 13.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7520 10.7440 12.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3210 9.2460 13.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 11.9550 10.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 12.8980 9.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 12.1990 9.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.6510 0.9850 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9600 0.7180 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 2.4020 3.6600 N 0 0 0 0 0 0 0 0 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 1 56 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 56 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 58 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 58 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 6 58 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END