PUBCHEM-ZINC05920471 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 1.1280 1.8790 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.6150 -0.1220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7700 0.8700 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.2270 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -1.2290 0.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.2580 2.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.4030 3.5780 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6050 -0.9490 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -1.3260 4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -2.5200 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -3.6030 3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -4.7000 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -4.7250 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -3.6530 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -2.5550 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 0.6340 4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.7400 4.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -0.2320 -1.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 0.0400 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.0250 -2.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.9350 -3.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -1.0080 -4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 0.0070 -5.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -0.0590 -6.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -1.1430 -7.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.1790 -6.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.1330 -5.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -3.2270 -5.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -4.2960 -5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -4.3110 -7.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -3.2600 -7.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 1.6370 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 2.4800 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 2.5030 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 1.1410 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -1.7080 5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -0.7540 4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -3.5900 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -5.5310 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -5.5750 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -3.6670 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -1.7210 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -1.0520 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -1.6820 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 0.8770 -4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 0.7400 -7.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -1.1710 -8.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -3.2810 -4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -5.1140 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -5.1390 -7.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -3.2910 -8.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 0.2550 5.7650 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 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 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 52 1 0 0 0 0 18 19 1 0 0 0 0 18 43 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 44 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M CHG 1 52 -1 M END