PUBCHEM-ZINC05431824 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 1.5320 -2.3640 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -1.8930 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -1.2660 0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.2770 -0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.8540 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -2.4540 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -1.7340 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -2.4010 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -3.7260 -0.5540 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8640 -3.7210 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 -3.8060 -0.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1790 -3.9980 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 -2.2760 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 -1.3770 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7990 -4.7040 0.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 -4.8860 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0300 -5.2930 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0070 -5.1080 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0770 -6.2130 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7620 -5.5210 3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1150 -5.4600 3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3980 -4.7080 4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2520 -4.2240 5.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 -4.6740 4.7120 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -4.5600 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -3.9760 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -0.2120 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 0.0990 1.6860 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5750 -2.0410 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -3.4550 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.9270 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -2.2190 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -0.7600 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6300 -7.1150 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 -6.5410 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8710 -5.9270 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3910 -4.5280 5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1720 -3.6250 6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -4.2630 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -4.4340 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 0.5240 -0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 2 0 0 0 0 M CHG 1 28 -1 M END