PUBCHEM-ZINC05846504 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -4.6300 -1.0280 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -2.0210 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -3.2020 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -3.4040 -0.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -4.1910 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -4.7720 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -4.3100 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -5.0400 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -5.6910 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -6.9820 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -7.5870 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -6.9190 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -5.6370 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -5.0200 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -7.5200 1.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -6.7780 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -7.6000 4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -7.5150 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -8.2690 5.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -9.1070 6.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -9.1920 5.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -8.4340 5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -10.0900 6.8550 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7050 -10.7550 7.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -10.1640 6.7620 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5220 -3.2820 -3.2990 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -2.7990 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -2.0580 -2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -0.1820 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -1.0540 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -1.9940 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -4.0940 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 -3.0130 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -5.1420 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -7.5020 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -8.5830 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -5.1220 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -4.0220 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -5.8540 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -6.5410 3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -6.8600 3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 -8.2030 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 -9.6970 6.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -8.4970 4.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END