PUBCHEM-ZINC04548645 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.2440 1.4300 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -0.0770 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.7490 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -2.1450 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.8500 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.1570 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.7770 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.0270 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -4.1630 0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -4.2650 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -3.0730 2.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -5.5360 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -5.5220 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -6.7080 4.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -7.9200 3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -7.9360 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -6.7530 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -9.1180 4.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -10.3080 4.0190 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -10.5240 2.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -11.3370 4.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -9.6480 4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -9.0940 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 -8.5760 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -8.6120 4.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -9.1670 5.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -9.6880 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 1.7660 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 1.7970 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.8150 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.1980 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.6960 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 0.1270 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -0.6040 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 0.9390 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -4.5820 4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -6.6990 5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -8.8780 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -6.7670 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -9.2560 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -9.0660 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -8.1430 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -8.2070 4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -9.1940 6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -10.1250 6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END