PUBCHEM-ZINC05579554 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.1180 1.5830 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.5750 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 0.8620 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 0.1520 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 0.1610 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 0.8760 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -0.5510 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 0.1430 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 1.5280 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 2.2330 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 1.5600 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 0.1790 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -0.5360 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 -1.9350 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 -2.7610 0.5620 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 -2.1730 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0020 -4.1430 0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7510 -2.4150 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -1.7650 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9590 -1.4940 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0700 -1.8720 -1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0210 -2.5220 -2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 -2.7980 -1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 -3.4990 -2.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8820 -3.9390 -3.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 -3.6360 -1.7420 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8010 2.1450 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 2.1280 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 0.8560 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -0.3900 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.8840 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 2.0570 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 3.3130 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 2.1150 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1570 -0.3450 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 -2.4200 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7140 -1.4700 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7790 -0.9850 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9750 -1.6590 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 -2.8170 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END