PUBCHEM-ZINC04457448 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1900 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0460 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 1.4560 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -0.6380 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -0.3380 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 -1.2260 -0.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -2.0470 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.7090 0.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.1530 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -3.3390 1.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 -3.1780 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7320 -4.0620 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 -3.9230 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0130 -2.9030 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 -2.0610 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 -2.2200 -0.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 -5.1340 1.4440 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5760 -5.9650 1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 -5.2570 2.1090 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9480 0.7370 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 1.3880 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2800 2.3940 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 2.7620 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 2.1240 -3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 1.1130 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -1.7560 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 2.0200 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 3.1850 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7440 -4.5930 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9230 -2.7680 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0060 -1.2660 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0360 1.1020 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 2.8960 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 3.5520 -4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 2.4190 -4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 0.6140 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END