PUBCHEM-ZINC04638790 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.0380 1.6620 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.1300 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -0.4290 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.5220 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2630 -1.6160 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -0.1430 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 0.7420 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -0.0300 1.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -0.5150 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -0.1340 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -1.0380 4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -1.9150 3.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.5900 2.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -1.0890 5.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -2.0730 6.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -2.1280 8.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -1.2090 8.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -0.2290 7.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -0.1650 6.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -1.2660 10.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -2.2930 10.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -0.3000 10.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 2.0670 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 2.1000 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 2.0060 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.1250 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -0.1000 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.5230 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.0850 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 0.7170 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 0.6840 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -2.8190 6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -2.9220 8.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 0.5240 8.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 0.6250 5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -2.2200 10.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -2.1980 11.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -3.2940 10.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 -0.3540 10.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -0.4830 11.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 0.7190 10.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -0.7570 -2.3850 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 1 42 -1 M END