PUBCHEM-ZINC00689654 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 2.5880 -2.0860 12.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 -0.7100 12.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -0.4050 11.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 0.9140 10.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 1.2270 9.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 0.2160 8.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.1090 9.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -1.4140 10.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 0.5470 7.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 0.0560 6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -0.6320 6.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 0.4370 4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.2340 4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.5990 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 1.1830 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 0.3900 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 0.0180 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -0.7500 3.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -1.1360 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.5470 1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.6370 5.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 1.3200 7.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 1.8160 8.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.5400 9.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -2.6680 12.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -2.1900 13.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -2.4490 12.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 1.6960 11.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 2.2530 9.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -1.8930 8.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -2.4390 10.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 2.2110 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 0.0690 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -1.7460 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -1.7120 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -0.2450 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 2.5740 8.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 2.8220 9.0840 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 23 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 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 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 41 42 1 0 0 0 0 M END