PUBCHEM-ZINC02785164 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.3800 1.2390 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.1740 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.6610 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -1.9580 1.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -2.9860 0.4520 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5050 -3.2930 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -3.9010 1.4280 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3800 -4.0870 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -2.7260 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -2.5590 3.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -5.1530 1.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -6.1330 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -6.0270 -0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -7.3210 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -7.4450 2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -8.5660 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -9.5930 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -9.4880 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -8.3610 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -8.3200 -0.6770 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -6.4820 3.7200 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.4150 -1.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.9690 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 0.2660 2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 1.0450 2.7360 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6760 1.7870 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 1.8050 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 1.2270 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -5.2870 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -8.6270 4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -10.4690 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -10.2790 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -1.3020 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -0.3300 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.1400 3.1490 O 0 0 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 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 21 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 22 23 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 35 2 0 0 0 0 M CHG 1 25 -1 M END