PUBCHEM-ZINC05139133 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 -0.0730 1.3660 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.1540 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -0.6870 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -2.2180 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -2.7540 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -2.9880 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -3.4690 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -3.7050 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 -3.4760 1.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -3.0090 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 -4.1860 0.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 -4.3960 1.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7570 -4.9150 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3750 -5.1980 0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2970 -5.0960 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7040 -5.6910 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3270 -5.7470 4.1350 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.3220 -4.7560 4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7970 -6.2120 3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9940 -7.4410 4.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6210 -6.6840 5.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5410 -6.3790 5.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0230 -5.2690 5.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0500 -7.5470 6.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 1.7250 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.7720 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 1.7650 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.5200 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.5270 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.3100 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -0.3030 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -2.6000 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.6070 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -2.7980 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -3.6540 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -2.8410 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3870 -4.3900 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9290 -4.1520 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6010 -5.7520 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2960 -4.1170 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3450 -5.0930 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6720 -6.6980 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0440 -7.6130 5.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9850 -7.4200 6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6070 -7.5920 7.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1830 -8.4860 6.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6060 -5.3220 3.5260 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 1 47 -1 M END