PUBCHEM-ZINC01416674 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 1.6160 1.3390 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -0.1790 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -0.5640 0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -1.8890 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -2.3300 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -3.6720 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -4.5920 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -4.1420 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -2.7980 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -6.0250 1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -6.8550 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -8.3190 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -8.9750 1.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -8.8720 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -8.0930 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -8.4630 -1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -6.4190 -0.5780 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -10.3270 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -10.7330 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -10.8060 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -11.1780 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -11.4780 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -11.4070 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -11.0390 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -11.8760 2.6930 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2270 -11.9390 2.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 -12.1400 3.8810 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5910 1.6410 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 1.6330 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 1.8260 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.4800 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -0.6650 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.6190 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -4.0130 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -4.8480 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.4490 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -6.4180 2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -10.6370 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -10.8060 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -10.5710 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -11.2340 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -11.6410 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -10.9860 2.4820 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 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 17 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 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END