COMPND HMDB0040681 HETATM 1 O1 UNL 1 2.923 0.776 -1.097 1.00 0.00 O HETATM 2 C1 UNL 1 2.601 0.154 -0.058 1.00 0.00 C HETATM 3 C2 UNL 1 1.218 -0.254 0.112 1.00 0.00 C HETATM 4 C3 UNL 1 0.333 0.032 -0.819 1.00 0.00 C HETATM 5 C4 UNL 1 -1.082 -0.321 -0.768 1.00 0.00 C HETATM 6 C5 UNL 1 -1.589 -1.008 0.308 1.00 0.00 C HETATM 7 C6 UNL 1 -2.953 -1.334 0.342 1.00 0.00 C HETATM 8 C7 UNL 1 -3.761 -0.961 -0.706 1.00 0.00 C HETATM 9 O2 UNL 1 -5.111 -1.250 -0.738 1.00 0.00 O HETATM 10 C8 UNL 1 -5.704 -1.954 0.289 1.00 0.00 C HETATM 11 C9 UNL 1 -6.630 -1.385 1.021 1.00 0.00 C HETATM 12 C10 UNL 1 -7.074 -0.033 0.810 1.00 0.00 C HETATM 13 C11 UNL 1 -6.285 1.068 0.625 1.00 0.00 C HETATM 14 C12 UNL 1 -6.875 2.308 0.406 1.00 0.00 C HETATM 15 C13 UNL 1 -8.241 2.474 0.368 1.00 0.00 C HETATM 16 O3 UNL 1 -8.804 3.719 0.149 1.00 0.00 O HETATM 17 C14 UNL 1 -9.047 1.374 0.554 1.00 0.00 C HETATM 18 O4 UNL 1 -10.428 1.547 0.515 1.00 0.00 O HETATM 19 C15 UNL 1 -8.473 0.138 0.771 1.00 0.00 C HETATM 20 C16 UNL 1 -5.287 -3.358 0.555 1.00 0.00 C HETATM 21 O5 UNL 1 -5.854 -3.940 1.503 1.00 0.00 O HETATM 22 O6 UNL 1 -4.316 -3.900 -0.262 1.00 0.00 O HETATM 23 C17 UNL 1 -3.251 -0.268 -1.793 1.00 0.00 C HETATM 24 O7 UNL 1 -4.090 0.095 -2.832 1.00 0.00 O HETATM 25 C18 UNL 1 -1.919 0.052 -1.828 1.00 0.00 C HETATM 26 O8 UNL 1 3.610 -0.097 0.860 1.00 0.00 O HETATM 27 C19 UNL 1 4.964 0.347 0.609 1.00 0.00 C HETATM 28 C20 UNL 1 5.870 -0.828 0.451 1.00 0.00 C HETATM 29 C21 UNL 1 7.251 -0.398 0.189 1.00 0.00 C HETATM 30 C22 UNL 1 8.185 -0.243 1.196 1.00 0.00 C HETATM 31 C23 UNL 1 9.453 0.167 0.874 1.00 0.00 C HETATM 32 C24 UNL 1 9.798 0.422 -0.430 1.00 0.00 C HETATM 33 O9 UNL 1 11.070 0.834 -0.758 1.00 0.00 O HETATM 34 C25 UNL 1 8.889 0.275 -1.442 1.00 0.00 C HETATM 35 O10 UNL 1 9.229 0.533 -2.780 1.00 0.00 O HETATM 36 C26 UNL 1 7.616 -0.136 -1.130 1.00 0.00 C HETATM 37 C27 UNL 1 5.399 1.271 1.661 1.00 0.00 C HETATM 38 O11 UNL 1 4.640 1.519 2.637 1.00 0.00 O HETATM 39 O12 UNL 1 6.622 1.904 1.641 1.00 0.00 O HETATM 40 H1 UNL 1 0.917 -0.785 0.988 1.00 0.00 H HETATM 41 H2 UNL 1 0.690 0.583 -1.711 1.00 0.00 H HETATM 42 H3 UNL 1 -0.989 -1.320 1.150 1.00 0.00 H HETATM 43 H4 UNL 1 -3.332 -1.867 1.203 1.00 0.00 H HETATM 44 H5 UNL 1 -7.078 -1.993 1.836 1.00 0.00 H HETATM 45 H6 UNL 1 -5.215 0.955 0.668 1.00 0.00 H HETATM 46 H7 UNL 1 -6.251 3.162 0.263 1.00 0.00 H HETATM 47 H8 UNL 1 -9.810 3.825 0.124 1.00 0.00 H HETATM 48 H9 UNL 1 -11.085 0.806 0.639 1.00 0.00 H HETATM 49 H10 UNL 1 -9.130 -0.707 0.913 1.00 0.00 H HETATM 50 H11 UNL 1 -4.580 -4.319 -1.144 1.00 0.00 H HETATM 51 H12 UNL 1 -3.779 0.594 -3.640 1.00 0.00 H HETATM 52 H13 UNL 1 -1.512 0.593 -2.674 1.00 0.00 H HETATM 53 H14 UNL 1 4.937 0.869 -0.385 1.00 0.00 H HETATM 54 H15 UNL 1 5.514 -1.420 -0.421 1.00 0.00 H HETATM 55 H16 UNL 1 5.837 -1.472 1.355 1.00 0.00 H HETATM 56 H17 UNL 1 7.898 -0.451 2.224 1.00 0.00 H HETATM 57 H18 UNL 1 10.154 0.276 1.692 1.00 0.00 H HETATM 58 H19 UNL 1 11.364 1.031 -1.693 1.00 0.00 H HETATM 59 H20 UNL 1 8.541 0.419 -3.508 1.00 0.00 H HETATM 60 H21 UNL 1 6.863 -0.264 -1.921 1.00 0.00 H HETATM 61 H22 UNL 1 7.149 2.146 2.472 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 26 CONECT 3 4 4 40 CONECT 4 5 41 CONECT 5 6 6 25 CONECT 6 7 42 CONECT 7 8 8 43 CONECT 8 9 23 CONECT 9 10 CONECT 10 11 11 20 CONECT 11 12 44 CONECT 12 13 13 19 CONECT 13 14 45 CONECT 14 15 15 46 CONECT 15 16 17 CONECT 16 47 CONECT 17 18 19 19 CONECT 18 48 CONECT 19 49 CONECT 20 21 21 22 CONECT 22 50 CONECT 23 24 25 25 CONECT 24 51 CONECT 25 52 CONECT 26 27 CONECT 27 28 37 53 CONECT 28 29 54 55 CONECT 29 30 30 36 CONECT 30 31 56 CONECT 31 32 32 57 CONECT 32 33 34 CONECT 33 58 CONECT 34 35 36 36 CONECT 35 59 CONECT 36 60 CONECT 37 38 38 39 CONECT 39 61 END