RDKit 3D 48 51 0 0 0 0 0 0 0 0999 V2000 2.5318 -2.1770 2.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 -1.1900 2.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.4661 1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4778 -0.7052 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 0.0096 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 -0.1933 -1.0162 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4293 0.6064 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 1.8802 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9994 2.6275 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6955 3.8970 1.3655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 2.1396 1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2461 2.8567 1.8208 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 0.8899 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 0.1081 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 -1.2396 -0.5311 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1791 -1.7567 0.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 -2.0562 -0.2522 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8892 -3.4939 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 -3.7905 -0.8458 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 -2.6338 -1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -2.6289 -1.3709 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8145 -1.5779 -1.3048 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7828 0.9625 -1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0633 1.2182 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 2.1889 -1.1944 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 2.9370 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 0.4889 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 0.7605 0.8759 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2697 -3.0277 2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 -2.5834 3.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5728 -1.7085 3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 -1.4640 1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 0.3309 -2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 2.2205 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7834 4.2857 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0449 3.7803 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 0.4868 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1866 -1.1988 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 -1.8553 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -1.9168 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 -4.1109 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 -3.6164 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 -1.6742 -2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 1.5488 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9192 2.2345 -3.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 3.6167 -1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1275 3.5220 -2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 1.4680 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 2 0 27 28 1 0 5 6 1 0 6 22 1 0 22 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 17 15 1 0 15 16 1 0 15 14 1 0 14 13 2 0 13 11 1 0 11 12 1 0 11 9 2 0 9 10 1 0 9 8 1 0 8 7 2 0 27 3 1 0 7 6 1 0 20 22 1 0 7 14 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 23 44 1 0 26 45 1 0 26 46 1 0 26 47 1 0 28 48 1 0 6 33 1 6 22 43 1 6 17 40 1 1 18 41 1 0 18 42 1 0 15 38 1 6 16 39 1 0 13 37 1 0 12 36 1 0 10 35 1 0 8 34 1 0 M END