PUBCHEM-ZINC06007752 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 2.5010 -0.1120 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -0.7810 0.3570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8510 0.0080 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -1.4760 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -2.2500 0.5500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2450 -2.8590 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -3.2030 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -1.7680 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -3.3110 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -3.1850 -3.6550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5710 -3.8350 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -3.4750 -5.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -3.5190 -5.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.9690 -7.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -3.4630 -7.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -2.9220 -9.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -1.9000 -9.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.4130 -8.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -1.9550 -7.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -1.4190 -6.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6560 -1.2280 -5.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -1.1660 -7.4940 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1960 -1.8240 -3.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -1.6740 -4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -1.3110 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -0.8460 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 0.4150 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 0.6210 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -2.1800 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.7390 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -3.9880 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -3.6740 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -1.2380 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.5430 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -4.3380 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -2.8760 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -2.6880 -5.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -4.4500 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -4.2800 -7.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -3.3080 -9.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -1.4900 -10.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6200 -9.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -0.6470 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -1.8860 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -0.6830 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -2.4620 -1.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3030 -1.7380 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 46 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 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 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 46 1 M END