PUBCHEM-ZINC05285919 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.3520 1.4000 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -0.1040 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -0.7520 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -2.1320 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.8640 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -2.2170 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.8360 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.6230 -0.0770 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -5.0920 -1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -5.0040 1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.6780 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -4.6640 -2.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -4.3070 -3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -3.9580 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -3.9700 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 -4.3380 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -4.3600 0.6320 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0870 -3.3600 1.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -5.3770 1.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8460 -3.5890 -1.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 -3.3520 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 -3.5630 -3.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 -3.4010 -5.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 -2.9090 -3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.7170 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 1.7550 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 1.8180 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.1790 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -2.6370 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.7890 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.3300 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -5.5420 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -4.9350 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -4.2980 -4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -4.3430 -5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -2.6270 -5.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -3.1140 -5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -1.8200 -3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7550 -3.2780 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3100 -3.3080 -2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END