PUBCHEM-ZINC02047162 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 2.4810 1.3840 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 0.1350 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -0.5970 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -1.8400 -1.4610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3390 -1.6100 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -2.3720 -2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -3.5120 -3.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -3.3230 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -3.9960 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -4.6740 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -5.1460 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -4.9800 3.6460 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7130 -4.3700 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -3.8290 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.2050 0.5690 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2080 -4.2600 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -4.7880 2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -3.5680 3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -3.5740 5.0860 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -3.9890 5.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.1310 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 2.0850 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 1.8940 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -0.5180 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.4200 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 0.1020 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -0.8710 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -3.9900 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -2.4230 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -5.6210 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -5.3040 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -4.7250 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 -3.2100 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -4.7700 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -4.9840 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -5.6420 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.6500 -3.6370 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2950 -2.9030 -0.6310 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3950 -3.6980 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -2.7350 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -2.1490 5.4060 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3870 -4.6170 5.2430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 38 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 M CHG 1 12 1 M CHG 1 15 -1 M CHG 1 37 -1 M CHG 1 38 1 M CHG 1 41 -1 M CHG 1 42 -1 M END