PUBCHEM-ZINC05946859 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.0740 0.6650 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.6100 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -1.2670 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -0.6520 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 0.6290 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 1.2840 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.3500 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -1.3370 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 -2.0020 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -1.9960 -2.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 -3.1040 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 -4.2130 -2.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 -2.9320 -4.4050 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6120 -3.0950 -4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 -4.0180 -4.7250 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5340 -4.9730 -4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 -4.1390 -6.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4550 -3.0360 -6.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 -2.2150 -5.3280 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5130 -1.5720 -5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 -1.6510 -4.9170 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7400 -1.3070 -5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -0.3640 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4580 0.2710 -4.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7860 -3.2950 -4.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 1.1780 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -1.0910 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -2.2570 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 1.1290 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 2.2770 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -0.8710 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -2.3820 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -1.8510 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -0.3040 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 -1.4480 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -3.0280 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -1.0660 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -4.9350 -6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7470 -2.7500 -7.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3080 -0.0600 -3.4930 O 0 5 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 40 -1 M END