PUBCHEM-ZINC06814729 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 1.2140 0.5160 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -0.8760 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -1.2350 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -2.5390 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -3.4890 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -3.1550 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -1.8490 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -5.1650 -0.1620 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -6.0290 -1.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -5.3570 1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -5.2050 0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -4.6360 -0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -5.0940 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -4.3580 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -5.2540 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -4.5700 -3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -3.3220 -3.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -6.2630 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 -6.1160 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -7.2260 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -8.4740 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -8.6170 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -7.5120 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 0.5810 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 0.8000 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 1.2430 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -0.4980 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -2.7970 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -3.8970 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -1.5950 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -4.8390 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -3.9100 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -3.5240 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -5.6210 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 -6.1360 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -5.1510 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 -7.1190 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5340 -9.3360 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -9.5900 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -7.6300 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -5.3570 -4.4040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 41 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 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 41 -1 M END