COMPND HMDB0260168 HETATM 1 O1 UNL 1 -3.340 -2.141 0.487 1.00 0.00 O HETATM 2 C1 UNL 1 -3.553 -0.974 0.712 1.00 0.00 C HETATM 3 C2 UNL 1 -2.584 0.127 0.685 1.00 0.00 C HETATM 4 C3 UNL 1 -3.322 1.351 0.155 1.00 0.00 C HETATM 5 C4 UNL 1 -3.524 0.964 -1.306 1.00 0.00 C HETATM 6 C5 UNL 1 -2.520 -0.167 -1.590 1.00 0.00 C HETATM 7 C6 UNL 1 -1.587 0.018 -0.478 1.00 0.00 C HETATM 8 C7 UNL 1 -0.580 -0.967 -0.157 1.00 0.00 C HETATM 9 C8 UNL 1 0.131 -1.635 -1.277 1.00 0.00 C HETATM 10 C9 UNL 1 1.187 -0.843 -1.946 1.00 0.00 C HETATM 11 C10 UNL 1 2.127 -0.154 -0.981 1.00 0.00 C HETATM 12 C11 UNL 1 3.125 -1.129 -0.418 1.00 0.00 C HETATM 13 C12 UNL 1 4.132 -0.370 0.411 1.00 0.00 C HETATM 14 C13 UNL 1 3.774 1.091 0.562 1.00 0.00 C HETATM 15 C14 UNL 1 2.343 1.158 1.068 1.00 0.00 C HETATM 16 C15 UNL 1 1.380 0.594 0.074 1.00 0.00 C HETATM 17 C16 UNL 1 0.382 -0.277 0.824 1.00 0.00 C HETATM 18 C17 UNL 1 -0.358 0.617 1.761 1.00 0.00 C HETATM 19 C18 UNL 1 -1.812 0.347 1.910 1.00 0.00 C HETATM 20 H1 UNL 1 -4.606 -0.742 0.963 1.00 0.00 H HETATM 21 H2 UNL 1 -4.260 1.424 0.708 1.00 0.00 H HETATM 22 H3 UNL 1 -2.656 2.222 0.263 1.00 0.00 H HETATM 23 H4 UNL 1 -4.551 0.632 -1.506 1.00 0.00 H HETATM 24 H5 UNL 1 -3.216 1.812 -1.952 1.00 0.00 H HETATM 25 H6 UNL 1 -3.068 -1.111 -1.592 1.00 0.00 H HETATM 26 H7 UNL 1 -1.990 0.019 -2.554 1.00 0.00 H HETATM 27 H8 UNL 1 -1.145 1.055 -0.553 1.00 0.00 H HETATM 28 H9 UNL 1 -1.036 -1.793 0.467 1.00 0.00 H HETATM 29 H10 UNL 1 0.570 -2.602 -0.901 1.00 0.00 H HETATM 30 H11 UNL 1 -0.622 -1.933 -2.030 1.00 0.00 H HETATM 31 H12 UNL 1 1.825 -1.559 -2.540 1.00 0.00 H HETATM 32 H13 UNL 1 0.801 -0.117 -2.698 1.00 0.00 H HETATM 33 H14 UNL 1 2.697 0.589 -1.575 1.00 0.00 H HETATM 34 H15 UNL 1 2.627 -1.941 0.119 1.00 0.00 H HETATM 35 H16 UNL 1 3.681 -1.554 -1.290 1.00 0.00 H HETATM 36 H17 UNL 1 4.121 -0.804 1.436 1.00 0.00 H HETATM 37 H18 UNL 1 5.167 -0.458 0.009 1.00 0.00 H HETATM 38 H19 UNL 1 3.931 1.676 -0.354 1.00 0.00 H HETATM 39 H20 UNL 1 4.414 1.500 1.378 1.00 0.00 H HETATM 40 H21 UNL 1 2.338 0.575 2.032 1.00 0.00 H HETATM 41 H22 UNL 1 2.081 2.197 1.362 1.00 0.00 H HETATM 42 H23 UNL 1 0.868 1.452 -0.424 1.00 0.00 H HETATM 43 H24 UNL 1 0.984 -1.037 1.363 1.00 0.00 H HETATM 44 H25 UNL 1 0.110 0.492 2.782 1.00 0.00 H HETATM 45 H26 UNL 1 -0.226 1.700 1.523 1.00 0.00 H HETATM 46 H27 UNL 1 -2.253 1.222 2.462 1.00 0.00 H HETATM 47 H28 UNL 1 -1.985 -0.523 2.606 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 20 CONECT 3 4 7 19 CONECT 4 5 21 22 CONECT 5 6 23 24 CONECT 6 7 25 26 CONECT 7 8 27 CONECT 8 9 17 28 CONECT 9 10 29 30 CONECT 10 11 31 32 CONECT 11 12 16 33 CONECT 12 13 34 35 CONECT 13 14 36 37 CONECT 14 15 38 39 CONECT 15 16 40 41 CONECT 16 17 42 CONECT 17 18 43 CONECT 18 19 44 45 CONECT 19 46 47 END