PUBCHEM-ZINC06858567 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.1720 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.3070 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.0860 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -2.4500 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.9940 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.2840 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.9530 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -0.2430 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 0.4950 -2.9130 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 1.5620 -1.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 1.3230 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 2.5160 -4.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 3.0300 -4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 2.8800 -5.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 3.9870 -6.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 4.0310 -7.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 3.0130 -8.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.9120 -7.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 1.8490 -6.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 0.8880 -5.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.4070 2.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -1.1530 3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.1640 4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 1.9800 5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 2.8590 5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 0.9180 4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -0.0220 4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 3.0070 5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 1.6640 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 1.6600 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 1.3550 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -3.1020 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -4.0520 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.9730 -3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 0.5120 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 4.7770 -6.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 4.8750 -8.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 3.0740 -8.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 1.1210 -7.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -1.9150 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -1.6320 3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.6620 5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 0.5170 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 2.5060 5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 1.6840 6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 3.7420 5.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 3.2130 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 1.1680 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 0.3730 4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -0.3770 5.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -0.8760 4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 3.3400 4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 3.8930 5.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 2.4830 5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 0.7050 4.6650 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0530 0.9740 3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 2.1410 5.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 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 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 55 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 57 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 55 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 57 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END