PUBCHEM-ZINC00668279 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.7620 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.3230 3.5690 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.2000 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -0.7550 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -0.5520 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 0.5260 -0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -1.5610 -0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -1.2880 -1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -2.5410 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -1.5110 2.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -1.9460 4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -2.0660 4.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -2.2780 4.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 -2.7300 5.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -3.0380 5.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 -2.9010 4.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -2.4530 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 -2.1470 3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 -3.2340 5.2660 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9580 -3.6270 6.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 -3.1140 4.4170 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3450 -0.5950 2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 -0.4720 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 -1.0080 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -3.3580 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -2.8220 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -2.3370 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -1.4150 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 -2.8370 6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 -3.3870 6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -2.3480 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 -1.8020 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -1.5250 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -0.3490 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 0.2080 2.0020 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END