PUBCHEM-ZINC02728053 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 0.1150 1.4210 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 0.0450 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.6870 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 1.3570 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 2.1110 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 1.6880 0.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 2.6120 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 0.5460 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -0.4950 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 0.5230 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 0.9370 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1600 0.9430 1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1990 1.3710 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 1.3970 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1900 1.8530 0.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6000 0.9060 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7470 3.0300 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 4.0860 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1180 5.2640 0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0550 3.4770 1.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 2.1290 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9580 1.2370 2.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3990 4.1370 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 5.4230 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3020 6.0630 4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 5.4410 5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5240 4.1640 5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1830 3.5250 4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4700 6.1290 6.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9840 7.2880 6.7550 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8220 1.9680 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -0.4640 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -1.7540 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 3.1780 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -0.5160 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 1.9370 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 0.2520 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4670 1.3020 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5370 -0.0810 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 0.3570 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5670 2.0200 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 1.0430 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 2.4340 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7110 2.7730 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0870 3.4130 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1770 5.9640 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7450 7.0580 4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3440 3.6560 6.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 2.5440 4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6990 1.8210 0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2490 5.4970 7.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 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 15 1 0 0 0 0 11 36 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 39 1 0 0 0 0 13 40 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 51 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 16 51 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 52 2 0 0 0 0 M CHG 1 31 -1 M END