PUBCHEM-ZINC05857455 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -1.6590 1.8800 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 0.5750 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -0.5840 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -1.9050 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.9850 -0.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -2.9570 -0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -4.3490 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -5.1190 -0.3180 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -4.9680 0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -6.2560 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -6.7390 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -7.9850 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -8.7500 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -8.2770 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -7.0240 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -9.0890 -2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -8.5700 -3.3340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9470 2.6960 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 1.8090 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 2.1400 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 0.3600 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 0.6900 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -0.3800 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -0.6990 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -2.6830 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -4.4290 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 -6.1620 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 -8.3580 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -9.7180 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -6.6540 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -10.2290 -2.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 2 0 0 0 0 M CHG 1 17 -1 M END