PUBCHEM-ZINC00680971 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 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 1.2030 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0360 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.4360 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 1.9670 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 1.1600 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.5090 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 1.5770 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0610 0.6140 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3760 1.0010 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 2.3600 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 3.3240 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 2.9360 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0150 2.7470 -0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4070 3.7000 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8200 4.1170 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7430 3.4920 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0640 3.8870 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4760 4.9000 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5680 5.5240 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2450 5.1350 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0200 6.6070 -2.6460 N 0 3 0 0 0 0 0 0 0 0 0 0 15.1890 6.9480 -2.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2220 7.1570 -3.3840 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7560 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.1760 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 -0.4360 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 0.2560 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9440 4.3740 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 3.6800 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 4.1850 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4220 2.7010 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7780 3.4050 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5120 5.2060 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5390 5.6190 -2.4020 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END