@MOLECULE 71586776 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 0.0913 -4.3751 -0.1799 O.3 1 noname -0.2189 2 O2 -1.9213 -3.3930 0.0588 O.2 1 noname -0.2559 3 C1 -0.5961 0.4944 -0.5015 C.3 1 noname -0.0409 4 C2 -0.4477 2.8811 1.3998 C.3 1 noname -0.0416 5 C3 -1.7728 1.5164 -0.4017 C.3 1 noname -0.0501 6 C4 0.6268 0.7049 0.4446 C.3 1 noname -0.0501 7 C5 0.8596 2.1841 0.9044 C.3 1 noname -0.0502 8 C6 -1.8376 2.3697 0.9148 C.3 1 noname -0.0502 9 C7 -1.2093 -0.8944 -0.2787 C.3 1 noname -0.0411 10 C8 -0.4372 2.9577 2.9278 C.3 1 noname -0.0533 11 C9 -0.1109 -1.9563 -0.3622 C.3 1 noname 0.0337 12 C10 0.7777 3.7651 3.3896 C.3 1 noname -0.0651 13 C11 -0.6943 -3.2777 -0.1502 C.2 1 noname 0.1348 14 H1 -0.2087 0.5109 -1.5304 H 1 noname 0.0303 15 H2 -0.3484 3.9078 1.0477 H 1 noname 0.0302 16 H3 0.5232 0.0643 1.3203 H 1 noname 0.0269 17 H4 1.5277 0.3346 -0.0447 H 1 noname 0.0269 18 H5 -2.7196 0.9954 -0.5440 H 1 noname 0.0269 19 H6 -1.6013 2.2344 -1.2037 H 1 noname 0.0269 20 H7 -2.5050 3.2184 0.7653 H 1 noname 0.0269 21 H8 1.2876 2.7572 0.0819 H 1 noname 0.0269 22 H9 1.6189 2.2168 1.6858 H 1 noname 0.0269 23 H10 -2.2069 1.7027 1.6938 H 1 noname 0.0269 24 H11 -1.9601 -1.0873 -1.0449 H 1 noname 0.0275 25 H12 -1.6765 -0.9317 0.7054 H 1 noname 0.0275 26 H13 -1.3494 3.4440 3.2735 H 1 noname 0.0266 27 H14 -0.3830 1.9508 3.3417 H 1 noname 0.0266 28 H15 0.3564 -1.9190 -1.3463 H 1 noname 0.0372 29 H16 0.6399 -1.7634 0.4040 H 1 noname 0.0372 30 H17 0.7851 3.8197 4.4782 H 1 noname 0.0230 31 H18 0.7235 4.7719 2.9757 H 1 noname 0.0230 32 H19 1.6899 3.2787 3.0440 H 1 noname 0.0230 33 H20 -0.2772 -5.2338 -0.4754 H 1 noname 0.2213 @BOND 1 1 13 1 2 1 33 1 3 2 13 2 4 3 5 1 5 3 6 1 6 3 9 1 7 3 14 1 8 4 7 1 9 4 8 1 10 4 10 1 11 4 15 1 12 5 8 1 13 5 18 1 14 5 19 1 15 6 7 1 16 6 16 1 17 6 17 1 18 7 21 1 19 7 22 1 20 8 20 1 21 8 23 1 22 9 11 1 23 9 24 1 24 9 25 1 25 10 12 1 26 10 26 1 27 10 27 1 28 11 13 1 29 11 28 1 30 11 29 1 31 12 30 1 32 12 31 1 33 12 32 1 @SUBSTRUCTURE 1 noname 1