COMPND HMDB0302635 HETATM 1 C1 UNL 1 -1.316 2.623 0.320 1.00 0.00 C HETATM 2 O1 UNL 1 -0.943 1.469 1.004 1.00 0.00 O HETATM 3 C2 UNL 1 -0.486 0.302 0.433 1.00 0.00 C HETATM 4 C3 UNL 1 -1.374 -0.686 0.076 1.00 0.00 C HETATM 5 C4 UNL 1 -2.742 -0.857 0.135 1.00 0.00 C HETATM 6 C5 UNL 1 -3.085 -2.085 -0.385 1.00 0.00 C HETATM 7 O2 UNL 1 -1.971 -2.656 -0.753 1.00 0.00 O HETATM 8 C6 UNL 1 -0.921 -1.877 -0.506 1.00 0.00 C HETATM 9 C7 UNL 1 0.432 -2.024 -0.707 1.00 0.00 C HETATM 10 C8 UNL 1 1.339 -1.060 -0.363 1.00 0.00 C HETATM 11 O3 UNL 1 2.643 -1.241 -0.574 1.00 0.00 O HETATM 12 C9 UNL 1 3.539 -0.349 -0.261 1.00 0.00 C HETATM 13 O4 UNL 1 4.784 -0.541 -0.472 1.00 0.00 O HETATM 14 C10 UNL 1 3.149 0.835 0.311 1.00 0.00 C HETATM 15 C11 UNL 1 1.809 1.059 0.545 1.00 0.00 C HETATM 16 C12 UNL 1 0.857 0.107 0.211 1.00 0.00 C HETATM 17 O5 UNL 1 4.205 -0.562 -1.555 1.00 0.00 O HETATM 18 C13 UNL 1 3.129 -0.347 -0.895 1.00 0.00 C HETATM 19 C14 UNL 1 3.193 0.011 0.434 1.00 0.00 C HETATM 20 C15 UNL 1 2.019 0.236 1.120 1.00 0.00 C HETATM 21 C16 UNL 1 0.808 0.104 0.483 1.00 0.00 C HETATM 22 C17 UNL 1 -0.396 0.322 1.141 1.00 0.00 C HETATM 23 C18 UNL 1 -1.592 0.181 0.471 1.00 0.00 C HETATM 24 C19 UNL 1 -2.919 0.319 0.819 1.00 0.00 C HETATM 25 C20 UNL 1 -3.697 0.046 -0.285 1.00 0.00 C HETATM 26 O6 UNL 1 -2.872 -0.246 -1.261 1.00 0.00 O HETATM 27 C21 UNL 1 -1.618 -0.181 -0.867 1.00 0.00 C HETATM 28 C22 UNL 1 -0.399 -0.389 -1.486 1.00 0.00 C HETATM 29 C23 UNL 1 0.809 -0.257 -0.847 1.00 0.00 C HETATM 30 O7 UNL 1 1.959 -0.464 -1.471 1.00 0.00 O HETATM 31 H1 UNL 1 -1.836 3.290 1.068 1.00 0.00 H HETATM 32 H2 UNL 1 -0.445 3.229 -0.036 1.00 0.00 H HETATM 33 H3 UNL 1 -2.006 2.451 -0.530 1.00 0.00 H HETATM 34 H4 UNL 1 -3.433 -0.114 0.538 1.00 0.00 H HETATM 35 H5 UNL 1 -4.101 -2.498 -0.470 1.00 0.00 H HETATM 36 H6 UNL 1 0.794 -2.943 -1.158 1.00 0.00 H HETATM 37 H7 UNL 1 3.881 1.596 0.581 1.00 0.00 H HETATM 38 H8 UNL 1 1.431 1.968 0.993 1.00 0.00 H HETATM 39 H9 UNL 1 4.160 0.107 0.906 1.00 0.00 H HETATM 40 H10 UNL 1 2.019 0.518 2.160 1.00 0.00 H HETATM 41 H11 UNL 1 -0.363 0.604 2.184 1.00 0.00 H HETATM 42 H12 UNL 1 -3.274 0.599 1.809 1.00 0.00 H HETATM 43 H13 UNL 1 -4.796 0.070 -0.332 1.00 0.00 H HETATM 44 H14 UNL 1 -0.374 -0.672 -2.528 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 CONECT 3 4 4 16 CONECT 4 5 8 CONECT 5 6 6 34 CONECT 6 7 35 CONECT 7 8 CONECT 8 9 9 CONECT 9 10 36 CONECT 10 11 16 16 CONECT 11 12 CONECT 12 13 13 14 CONECT 14 15 15 37 CONECT 15 16 38 CONECT 17 18 18 CONECT 18 19 30 CONECT 19 20 20 39 CONECT 20 21 40 CONECT 21 22 22 29 CONECT 22 23 41 CONECT 23 24 27 27 CONECT 24 25 25 42 CONECT 25 26 43 CONECT 26 27 CONECT 27 28 CONECT 28 29 29 44 CONECT 29 30 END