PUBCHEM-ZINC05762642 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.7360 0.9790 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -0.4410 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -0.5580 1.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8930 -1.3870 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -0.9850 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -1.7980 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -0.9690 -1.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8750 0.1410 -2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -1.7880 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -3.0340 -1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 0.6600 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 1.3880 2.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 0.8280 3.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 1.8840 4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 1.4420 5.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1280 0.6020 5.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 2.5860 6.3750 C 0 5 0 0 0 0 0 0 0 0 0 0 -1.2080 3.3460 5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 2.2460 7.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 1.0080 4.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 0.4000 5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -1.3560 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 1.7270 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 1.0280 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 1.2860 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -0.1290 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -1.5830 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -1.9630 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -2.7840 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 0.8010 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -0.2950 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.7770 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 0.2110 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 2.1380 4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 2.7620 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -0.0240 5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.4110 6.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 1.1370 6.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -1.2990 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -2.4040 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -1.0630 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -1.1240 -2.3500 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 7 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 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 17 -1 M CHG 1 42 -1 M END