PUBCHEM-ZINC06856982 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 0.1280 1.6870 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 0.1840 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.4040 0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -0.5070 0.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -1.9680 0.3810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1470 -2.3580 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -2.5400 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -2.0590 2.6250 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -2.6830 2.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8940 -2.3150 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -4.2120 2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 -4.7150 3.1470 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4560 -4.2320 2.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -5.6140 3.9370 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6150 -2.2020 4.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -1.4190 4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -0.9770 5.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -1.3210 6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -2.1070 6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -2.5510 5.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7720 -0.8870 8.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 -1.2800 9.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -2.3680 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -1.5190 -1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 2.0660 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 2.1040 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 1.9790 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -0.0360 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -2.1500 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -3.6270 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -4.5600 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -4.5820 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -1.1510 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0190 -0.3650 5.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -2.3760 7.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -3.1670 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 -0.8680 10.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 -2.3670 9.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -0.9030 9.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -3.6660 -1.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -3.8740 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 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 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END