COMPND HMDB0304871 HETATM 1 N1 UNL 1 8.697 -1.360 0.760 1.00 0.00 N HETATM 2 C1 UNL 1 8.039 -0.703 -0.311 1.00 0.00 C HETATM 3 O1 UNL 1 8.588 -0.640 -1.433 1.00 0.00 O HETATM 4 N2 UNL 1 6.764 -0.113 -0.132 1.00 0.00 N HETATM 5 C2 UNL 1 6.092 -0.158 1.140 1.00 0.00 C HETATM 6 C3 UNL 1 4.703 -0.747 1.004 1.00 0.00 C HETATM 7 C4 UNL 1 3.976 -0.308 -0.219 1.00 0.00 C HETATM 8 C5 UNL 1 3.237 1.004 -0.069 1.00 0.00 C HETATM 9 C6 UNL 1 2.211 0.994 0.977 1.00 0.00 C HETATM 10 O2 UNL 1 2.606 1.179 2.167 1.00 0.00 O HETATM 11 N3 UNL 1 0.843 0.796 0.750 1.00 0.00 N HETATM 12 C7 UNL 1 0.312 0.579 -0.562 1.00 0.00 C HETATM 13 C8 UNL 1 -1.058 1.242 -0.592 1.00 0.00 C HETATM 14 C9 UNL 1 -2.046 0.564 0.318 1.00 0.00 C HETATM 15 C10 UNL 1 -2.858 -0.475 -0.399 1.00 0.00 C HETATM 16 C11 UNL 1 -3.835 -1.127 0.567 1.00 0.00 C HETATM 17 N4 UNL 1 -3.580 -2.431 0.731 1.00 0.00 N HETATM 18 C12 UNL 1 -4.332 -3.219 1.527 1.00 0.00 C HETATM 19 C13 UNL 1 -5.406 -2.703 2.212 1.00 0.00 C HETATM 20 BR1 UNL 1 -6.472 -3.842 3.344 1.00 0.00 BR HETATM 21 C14 UNL 1 -5.698 -1.369 2.068 1.00 0.00 C HETATM 22 C15 UNL 1 -4.897 -0.563 1.229 1.00 0.00 C HETATM 23 C16 UNL 1 -5.351 0.836 1.225 1.00 0.00 C HETATM 24 C17 UNL 1 -5.534 1.398 -0.106 1.00 0.00 C HETATM 25 C18 UNL 1 -4.781 0.911 -1.248 1.00 0.00 C HETATM 26 C19 UNL 1 -5.423 1.388 -2.406 1.00 0.00 C HETATM 27 C20 UNL 1 -4.967 1.088 -3.659 1.00 0.00 C HETATM 28 CL1 UNL 1 -5.781 1.692 -5.095 1.00 0.00 CL HETATM 29 C21 UNL 1 -3.857 0.304 -3.844 1.00 0.00 C HETATM 30 C22 UNL 1 -3.191 -0.190 -2.719 1.00 0.00 C HETATM 31 BR2 UNL 1 -1.677 -1.317 -3.003 1.00 0.00 BR HETATM 32 C23 UNL 1 -3.679 0.134 -1.487 1.00 0.00 C HETATM 33 C24 UNL 1 -1.327 -0.009 1.521 1.00 0.00 C HETATM 34 C25 UNL 1 -0.099 0.803 1.852 1.00 0.00 C HETATM 35 C26 UNL 1 4.805 -0.242 -1.456 1.00 0.00 C HETATM 36 C27 UNL 1 6.091 0.555 -1.229 1.00 0.00 C HETATM 37 H1 UNL 1 9.078 -2.331 0.551 1.00 0.00 H HETATM 38 H2 UNL 1 8.815 -0.932 1.715 1.00 0.00 H HETATM 39 H3 UNL 1 6.083 0.838 1.599 1.00 0.00 H HETATM 40 H4 UNL 1 6.651 -0.838 1.823 1.00 0.00 H HETATM 41 H5 UNL 1 4.103 -0.580 1.897 1.00 0.00 H HETATM 42 H6 UNL 1 4.856 -1.858 0.915 1.00 0.00 H HETATM 43 H7 UNL 1 3.174 -1.081 -0.411 1.00 0.00 H HETATM 44 H8 UNL 1 2.827 1.266 -1.063 1.00 0.00 H HETATM 45 H9 UNL 1 3.981 1.833 0.142 1.00 0.00 H HETATM 46 H10 UNL 1 0.876 1.034 -1.387 1.00 0.00 H HETATM 47 H11 UNL 1 0.256 -0.515 -0.760 1.00 0.00 H HETATM 48 H12 UNL 1 -1.366 1.354 -1.625 1.00 0.00 H HETATM 49 H13 UNL 1 -0.874 2.281 -0.205 1.00 0.00 H HETATM 50 H14 UNL 1 -2.750 1.389 0.636 1.00 0.00 H HETATM 51 H15 UNL 1 -2.188 -1.264 -0.763 1.00 0.00 H HETATM 52 H16 UNL 1 -4.105 -4.269 1.644 1.00 0.00 H HETATM 53 H17 UNL 1 -6.533 -0.923 2.588 1.00 0.00 H HETATM 54 H18 UNL 1 -6.348 0.894 1.764 1.00 0.00 H HETATM 55 H19 UNL 1 -4.679 1.415 1.907 1.00 0.00 H HETATM 56 H20 UNL 1 -6.636 1.421 -0.342 1.00 0.00 H HETATM 57 H21 UNL 1 -5.287 2.514 -0.033 1.00 0.00 H HETATM 58 H22 UNL 1 -6.303 2.010 -2.335 1.00 0.00 H HETATM 59 H23 UNL 1 -3.472 0.048 -4.831 1.00 0.00 H HETATM 60 H24 UNL 1 -1.060 -1.068 1.384 1.00 0.00 H HETATM 61 H25 UNL 1 -2.021 0.045 2.385 1.00 0.00 H HETATM 62 H26 UNL 1 -0.410 1.855 2.063 1.00 0.00 H HETATM 63 H27 UNL 1 0.410 0.385 2.729 1.00 0.00 H HETATM 64 H28 UNL 1 4.233 0.277 -2.233 1.00 0.00 H HETATM 65 H29 UNL 1 5.092 -1.261 -1.764 1.00 0.00 H HETATM 66 H30 UNL 1 6.644 0.522 -2.167 1.00 0.00 H HETATM 67 H31 UNL 1 5.838 1.590 -0.895 1.00 0.00 H CONECT 1 2 37 38 CONECT 2 3 3 4 CONECT 4 5 36 CONECT 5 6 39 40 CONECT 6 7 41 42 CONECT 7 8 35 43 CONECT 8 9 44 45 CONECT 9 10 10 11 CONECT 11 12 34 CONECT 12 13 46 47 CONECT 13 14 48 49 CONECT 14 15 33 50 CONECT 15 16 32 51 CONECT 16 17 17 22 CONECT 17 18 CONECT 18 19 19 52 CONECT 19 20 21 CONECT 21 22 22 53 CONECT 22 23 CONECT 23 24 54 55 CONECT 24 25 56 57 CONECT 25 26 26 32 CONECT 26 27 58 CONECT 27 28 29 29 CONECT 29 30 59 CONECT 30 31 32 32 CONECT 33 34 60 61 CONECT 34 62 63 CONECT 35 36 64 65 CONECT 36 66 67 END