PUBCHEM-ZINC01945637 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 0.0360 1.1340 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -0.3720 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -0.7300 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.7500 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -1.1290 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -1.3890 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -1.1850 1.1020 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -1.7710 0.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -2.0040 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -1.8790 2.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -2.4120 2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 -2.5570 2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6490 -2.9380 2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6420 -3.1770 4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 -3.0350 4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -2.6600 4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 -3.2920 6.4420 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7900 -2.6080 7.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1620 -4.1860 6.9020 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.9120 -3.5940 4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -1.2230 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -1.5480 -1.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -0.9500 -3.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 -1.0640 -4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 -0.7190 -5.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 1.3930 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.6710 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 1.4110 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -0.6500 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.9090 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -0.5070 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -1.8720 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4970 -2.3710 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5650 -3.0510 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -2.5530 4.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9410 -4.6800 5.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9430 -3.1510 5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7710 -3.2500 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 -2.0850 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 -0.3760 -3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 0.3020 -5.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -1.4080 -5.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 -0.8050 -6.2100 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 31 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 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 17 1 M CHG 1 19 -1 M END