PUBCHEM-ZINC04257428 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.1630 2.3530 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 0.5490 0.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 0.1840 1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 0.0030 -0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 0.0090 -1.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 0.3430 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 0.2470 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 0.5760 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 1.0030 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 1.1020 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 0.7650 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 1.5600 -4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 1.6440 -5.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 2.0540 -6.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 2.1550 -7.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 2.5770 -8.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 2.9110 -8.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 2.8240 -7.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 2.3940 -6.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 2.2850 -5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 1.8750 -4.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 2.6030 -5.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 1.4340 -5.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8230 1.8140 -5.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1340 2.9260 -4.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3320 4.0820 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 3.7250 -4.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 2.7370 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 2.6070 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 2.7970 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.5400 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -0.0860 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 0.5000 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 1.2600 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 0.8370 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.8990 -7.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 2.6540 -9.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 3.2420 -9.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 3.0850 -7.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1890 1.1090 -4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0960 0.6240 -5.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 0.9670 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 2.0870 -6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6080 4.8760 -4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 4.4210 -5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 4.5880 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 3.4370 -3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 19 1 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 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END