PUBCHEM-ZINC01085502 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8100 -2.4230 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -2.5580 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -2.5860 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -3.3910 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -3.8710 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 -3.5440 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -2.7360 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -2.2540 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 -4.0160 0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -3.6390 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9480 -4.2500 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0940 -4.9410 0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9880 -4.0290 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2380 -4.5980 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2470 -4.3840 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5100 -4.9590 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6600 -4.8160 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6600 -5.5510 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1010 -6.1020 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8080 -5.7480 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.8370 -7.0040 0.7430 N 0 3 0 0 0 0 0 0 0 0 0 0 -17.0160 -7.2670 0.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2350 -7.4470 1.7040 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -2.1800 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -3.6480 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -2.1980 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -3.6460 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -4.5000 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 -2.4800 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -1.6210 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 -2.5530 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2500 -3.9950 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8720 -3.4770 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1170 -3.7690 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7640 -4.2500 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6860 -5.6580 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END