PUBCHEM-ZINC05360781 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.7030 -0.1020 2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.2300 0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -0.8450 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -0.9300 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 -1.5380 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -2.0660 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -1.9840 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -1.3770 1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -2.7170 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -4.1130 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 -4.7260 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 -6.1230 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 -6.7160 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 -5.9010 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7020 -4.5090 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4460 -3.9150 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 -2.5290 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 -1.9480 0.1540 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0470 -0.4600 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 0.1510 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 -0.6660 -2.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0240 -6.5560 -0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1710 -5.7650 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9090 -8.0690 -0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 -8.9300 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 0.4140 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 0.5050 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -1.0840 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.5180 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -1.5860 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -2.3920 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -1.3370 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -4.7180 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -6.7340 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5710 -3.8650 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1350 -1.8550 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 -0.1210 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -0.1310 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0040 -6.4450 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4470 -5.1530 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0210 -5.1480 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 -9.9600 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -8.7450 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -8.8390 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 1.4060 -1.2030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 22 23 1 0 0 0 0 23 39 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 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 18 1 M CHG 1 45 -1 M END