PUBCHEM-ZINC04591349 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -1.4060 2.8630 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 1.7180 -2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 1.1520 -2.3650 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 2.4610 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 3.2850 -1.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 2.4820 -1.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 3.4660 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 4.3910 0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 3.2650 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 4.5530 0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 5.2300 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 5.1350 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6130 6.2640 3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 7.3540 4.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 7.1020 5.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 7.0960 5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 5.9930 4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 5.2130 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 6.2690 -0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 4.5760 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 5.6560 -3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 5.0360 -4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 4.0570 -4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 2.9940 -3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 3.6170 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 3.4330 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 1.2070 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 1.7340 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 2.7120 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 2.6580 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 6.2830 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 4.8090 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 4.1510 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9530 5.3090 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 6.4850 3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 5.2780 4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 7.3700 5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 8.3450 4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 6.9220 6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 8.0820 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 5.0030 4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 6.0360 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 4.0290 -2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 6.3150 -3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 6.2930 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 4.5140 -4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 5.8270 -5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 3.5760 -5.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6550 4.6080 -4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8160 2.3420 -3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5770 2.3600 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 4.1570 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 2.8210 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 6.1870 3.2950 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0100 7.0960 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 54 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END