PUBCHEM-ZINC05568007 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.9510 -2.2720 -6.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -2.3900 -6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -0.9370 -5.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 -0.7830 -6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -0.4650 -4.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 1.0490 -4.7510 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7270 1.5420 -4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 1.6200 -3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 3.0800 -3.9560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 3.8760 -4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 3.5510 -5.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 4.5930 -6.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 5.9160 -6.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 6.2330 -5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 5.1990 -4.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 5.1760 -3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 3.8610 -3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 3.3460 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 2.7810 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 2.2740 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 2.3400 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 2.9180 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 3.4220 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 1.8020 1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 1.9940 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 1.2220 -6.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 2.1820 -6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -1.6580 -7.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -1.8290 -6.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -3.2640 -7.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -2.8530 -6.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -2.9930 -5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 -0.0600 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -1.8350 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -0.6780 -6.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 0.1100 -7.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -1.6480 -7.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.9350 -4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -0.7320 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.2760 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 1.3040 -4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 2.5250 -6.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 4.3670 -7.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 6.7120 -7.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 7.2690 -5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 6.0380 -2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 2.7340 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 1.8340 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 2.9930 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 3.8740 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2870 1.5760 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 3.0590 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 1.4570 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -1.0220 -5.7210 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4260 -0.3320 -6.4620 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 31 1 0 0 0 0 2 32 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 54 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 17 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 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END