COMPND HMDB0252906 HETATM 1 C1 UNL 1 0.135 6.886 0.422 1.00 0.00 C HETATM 2 O1 UNL 1 -0.387 5.677 0.909 1.00 0.00 O HETATM 3 C2 UNL 1 0.107 4.492 0.399 1.00 0.00 C HETATM 4 C3 UNL 1 1.087 4.392 -0.562 1.00 0.00 C HETATM 5 C4 UNL 1 1.539 3.169 -1.031 1.00 0.00 C HETATM 6 C5 UNL 1 0.965 2.010 -0.498 1.00 0.00 C HETATM 7 C6 UNL 1 -0.017 2.120 0.465 1.00 0.00 C HETATM 8 C7 UNL 1 -0.455 3.336 0.922 1.00 0.00 C HETATM 9 C8 UNL 1 -0.411 0.829 0.806 1.00 0.00 C HETATM 10 C9 UNL 1 -1.411 0.518 1.816 1.00 0.00 C HETATM 11 C10 UNL 1 -2.455 -0.271 1.558 1.00 0.00 C HETATM 12 C11 UNL 1 -2.762 -0.923 0.288 1.00 0.00 C HETATM 13 C12 UNL 1 -2.663 -0.315 -0.974 1.00 0.00 C HETATM 14 N1 UNL 1 -3.002 -1.156 -1.931 1.00 0.00 N HETATM 15 C13 UNL 1 -3.326 -2.318 -1.351 1.00 0.00 C HETATM 16 C14 UNL 1 -3.744 -3.512 -1.886 1.00 0.00 C HETATM 17 C15 UNL 1 -4.009 -4.554 -1.032 1.00 0.00 C HETATM 18 C16 UNL 1 -3.881 -4.482 0.325 1.00 0.00 C HETATM 19 C17 UNL 1 -3.456 -3.267 0.864 1.00 0.00 C HETATM 20 C18 UNL 1 -3.183 -2.197 0.033 1.00 0.00 C HETATM 21 C19 UNL 1 -3.223 -0.325 2.816 1.00 0.00 C HETATM 22 O2 UNL 1 -4.292 -0.954 3.026 1.00 0.00 O HETATM 23 N2 UNL 1 -2.551 0.471 3.779 1.00 0.00 N HETATM 24 C20 UNL 1 -1.398 1.015 3.170 1.00 0.00 C HETATM 25 O3 UNL 1 -0.579 1.770 3.758 1.00 0.00 O HETATM 26 C21 UNL 1 0.352 -0.015 0.030 1.00 0.00 C HETATM 27 N3 UNL 1 1.180 0.697 -0.753 1.00 0.00 N HETATM 28 C22 UNL 1 2.162 0.257 -1.730 1.00 0.00 C HETATM 29 C23 UNL 1 3.533 0.085 -1.147 1.00 0.00 C HETATM 30 C24 UNL 1 3.567 -0.920 -0.041 1.00 0.00 C HETATM 31 N4 UNL 1 3.158 -2.249 -0.442 1.00 0.00 N HETATM 32 C25 UNL 1 3.248 -3.073 0.770 1.00 0.00 C HETATM 33 C26 UNL 1 4.014 -2.833 -1.445 1.00 0.00 C HETATM 34 H1 UNL 1 1.220 6.914 0.316 1.00 0.00 H HETATM 35 H2 UNL 1 -0.321 7.145 -0.559 1.00 0.00 H HETATM 36 H3 UNL 1 -0.140 7.678 1.175 1.00 0.00 H HETATM 37 H4 UNL 1 1.527 5.301 -0.972 1.00 0.00 H HETATM 38 H5 UNL 1 2.308 3.070 -1.782 1.00 0.00 H HETATM 39 H6 UNL 1 -1.229 3.361 1.669 1.00 0.00 H HETATM 40 H7 UNL 1 -2.345 0.704 -1.090 1.00 0.00 H HETATM 41 H8 UNL 1 -3.013 -0.955 -2.960 1.00 0.00 H HETATM 42 H9 UNL 1 -3.854 -3.594 -2.964 1.00 0.00 H HETATM 43 H10 UNL 1 -4.336 -5.489 -1.465 1.00 0.00 H HETATM 44 H11 UNL 1 -4.084 -5.288 1.001 1.00 0.00 H HETATM 45 H12 UNL 1 -3.330 -3.163 1.928 1.00 0.00 H HETATM 46 H13 UNL 1 -2.824 0.651 4.786 1.00 0.00 H HETATM 47 H14 UNL 1 0.311 -1.103 0.032 1.00 0.00 H HETATM 48 H15 UNL 1 2.191 0.908 -2.624 1.00 0.00 H HETATM 49 H16 UNL 1 1.830 -0.735 -2.095 1.00 0.00 H HETATM 50 H17 UNL 1 3.992 1.013 -0.774 1.00 0.00 H HETATM 51 H18 UNL 1 4.185 -0.273 -1.968 1.00 0.00 H HETATM 52 H19 UNL 1 4.611 -1.023 0.367 1.00 0.00 H HETATM 53 H20 UNL 1 2.933 -0.641 0.823 1.00 0.00 H HETATM 54 H21 UNL 1 4.286 -3.447 0.899 1.00 0.00 H HETATM 55 H22 UNL 1 2.997 -2.464 1.671 1.00 0.00 H HETATM 56 H23 UNL 1 2.578 -3.945 0.675 1.00 0.00 H HETATM 57 H24 UNL 1 3.442 -2.938 -2.401 1.00 0.00 H HETATM 58 H25 UNL 1 4.896 -2.180 -1.611 1.00 0.00 H HETATM 59 H26 UNL 1 4.326 -3.863 -1.152 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 37 CONECT 5 6 6 38 CONECT 6 7 27 CONECT 7 8 8 9 CONECT 8 39 CONECT 9 10 26 26 CONECT 10 11 11 24 CONECT 11 12 21 CONECT 12 13 13 20 CONECT 13 14 40 CONECT 14 15 41 CONECT 15 16 16 20 CONECT 16 17 42 CONECT 17 18 18 43 CONECT 18 19 44 CONECT 19 20 20 45 CONECT 21 22 22 23 CONECT 23 24 46 CONECT 24 25 25 CONECT 26 27 47 CONECT 27 28 CONECT 28 29 48 49 CONECT 29 30 50 51 CONECT 30 31 52 53 CONECT 31 32 33 CONECT 32 54 55 56 CONECT 33 57 58 59 END