COMPND HMDB0030685 HETATM 1 C1 UNL 1 -3.855 3.661 0.558 1.00 0.00 C HETATM 2 C2 UNL 1 -3.104 2.358 0.247 1.00 0.00 C HETATM 3 C3 UNL 1 -2.643 1.635 1.435 1.00 0.00 C HETATM 4 C4 UNL 1 -2.923 1.985 -0.976 1.00 0.00 C HETATM 5 C5 UNL 1 -2.266 0.827 -1.581 1.00 0.00 C HETATM 6 C6 UNL 1 -1.677 -0.189 -0.704 1.00 0.00 C HETATM 7 C7 UNL 1 -2.459 -1.120 -0.036 1.00 0.00 C HETATM 8 C8 UNL 1 -1.957 -2.111 0.775 1.00 0.00 C HETATM 9 C9 UNL 1 -0.600 -2.174 0.927 1.00 0.00 C HETATM 10 O1 UNL 1 0.011 -3.121 1.712 1.00 0.00 O HETATM 11 C10 UNL 1 0.216 -1.268 0.282 1.00 0.00 C HETATM 12 C11 UNL 1 1.585 -1.334 0.437 1.00 0.00 C HETATM 13 O2 UNL 1 2.076 -2.228 1.172 1.00 0.00 O HETATM 14 C12 UNL 1 2.349 -0.394 -0.238 1.00 0.00 C HETATM 15 C13 UNL 1 1.797 0.579 -1.039 1.00 0.00 C HETATM 16 O3 UNL 1 0.469 0.589 -1.147 1.00 0.00 O HETATM 17 C14 UNL 1 -0.290 -0.280 -0.527 1.00 0.00 C HETATM 18 C15 UNL 1 2.601 1.560 -1.743 1.00 0.00 C HETATM 19 C16 UNL 1 2.057 2.528 -2.540 1.00 0.00 C HETATM 20 C17 UNL 1 2.907 3.419 -3.171 1.00 0.00 C HETATM 21 O4 UNL 1 2.363 4.390 -3.970 1.00 0.00 O HETATM 22 C18 UNL 1 4.278 3.347 -3.011 1.00 0.00 C HETATM 23 O5 UNL 1 5.095 4.253 -3.656 1.00 0.00 O HETATM 24 C19 UNL 1 4.821 2.369 -2.206 1.00 0.00 C HETATM 25 C20 UNL 1 3.967 1.478 -1.575 1.00 0.00 C HETATM 26 O6 UNL 1 4.485 0.503 -0.775 1.00 0.00 O HETATM 27 C21 UNL 1 3.797 -0.477 -0.064 1.00 0.00 C HETATM 28 C22 UNL 1 4.218 -0.529 1.351 1.00 0.00 C HETATM 29 C23 UNL 1 4.942 -1.517 1.851 1.00 0.00 C HETATM 30 C24 UNL 1 5.398 -2.672 1.026 1.00 0.00 C HETATM 31 C25 UNL 1 5.321 -1.479 3.308 1.00 0.00 C HETATM 32 C26 UNL 1 -2.859 -3.064 1.449 1.00 0.00 C HETATM 33 C27 UNL 1 -4.161 -2.936 1.249 1.00 0.00 C HETATM 34 C28 UNL 1 -4.755 -1.898 0.394 1.00 0.00 C HETATM 35 C29 UNL 1 -5.512 -2.606 -0.718 1.00 0.00 C HETATM 36 C30 UNL 1 -5.701 -1.072 1.246 1.00 0.00 C HETATM 37 O7 UNL 1 -3.833 -1.044 -0.199 1.00 0.00 O HETATM 38 H1 UNL 1 -4.824 3.390 1.023 1.00 0.00 H HETATM 39 H2 UNL 1 -4.044 4.216 -0.367 1.00 0.00 H HETATM 40 H3 UNL 1 -3.212 4.201 1.285 1.00 0.00 H HETATM 41 H4 UNL 1 -3.392 0.854 1.759 1.00 0.00 H HETATM 42 H5 UNL 1 -1.645 1.213 1.406 1.00 0.00 H HETATM 43 H6 UNL 1 -2.654 2.332 2.347 1.00 0.00 H HETATM 44 H7 UNL 1 -3.373 2.718 -1.734 1.00 0.00 H HETATM 45 H8 UNL 1 -3.038 0.314 -2.248 1.00 0.00 H HETATM 46 H9 UNL 1 -1.515 1.195 -2.338 1.00 0.00 H HETATM 47 H10 UNL 1 -0.496 -3.816 2.215 1.00 0.00 H HETATM 48 H11 UNL 1 0.997 2.614 -2.688 1.00 0.00 H HETATM 49 H12 UNL 1 1.397 4.524 -4.148 1.00 0.00 H HETATM 50 H13 UNL 1 4.769 4.986 -4.252 1.00 0.00 H HETATM 51 H14 UNL 1 5.900 2.320 -2.085 1.00 0.00 H HETATM 52 H15 UNL 1 4.116 -1.461 -0.522 1.00 0.00 H HETATM 53 H16 UNL 1 3.924 0.274 2.008 1.00 0.00 H HETATM 54 H17 UNL 1 4.566 -3.165 0.487 1.00 0.00 H HETATM 55 H18 UNL 1 5.885 -3.406 1.697 1.00 0.00 H HETATM 56 H19 UNL 1 6.211 -2.333 0.324 1.00 0.00 H HETATM 57 H20 UNL 1 6.411 -1.495 3.434 1.00 0.00 H HETATM 58 H21 UNL 1 4.859 -2.351 3.842 1.00 0.00 H HETATM 59 H22 UNL 1 4.893 -0.566 3.762 1.00 0.00 H HETATM 60 H23 UNL 1 -2.463 -3.834 2.078 1.00 0.00 H HETATM 61 H24 UNL 1 -4.835 -3.628 1.736 1.00 0.00 H HETATM 62 H25 UNL 1 -4.734 -3.192 -1.280 1.00 0.00 H HETATM 63 H26 UNL 1 -6.217 -3.304 -0.254 1.00 0.00 H HETATM 64 H27 UNL 1 -5.971 -1.834 -1.351 1.00 0.00 H HETATM 65 H28 UNL 1 -5.125 -0.793 2.163 1.00 0.00 H HETATM 66 H29 UNL 1 -6.558 -1.748 1.495 1.00 0.00 H HETATM 67 H30 UNL 1 -5.989 -0.195 0.663 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 4 4 CONECT 3 41 42 43 CONECT 4 5 44 CONECT 5 6 45 46 CONECT 6 7 7 17 CONECT 7 8 37 CONECT 8 9 9 32 CONECT 9 10 11 CONECT 10 47 CONECT 11 12 17 17 CONECT 12 13 13 14 CONECT 14 15 15 27 CONECT 15 16 18 CONECT 16 17 CONECT 18 19 19 25 CONECT 19 20 48 CONECT 20 21 22 22 CONECT 21 49 CONECT 22 23 24 CONECT 23 50 CONECT 24 25 25 51 CONECT 25 26 CONECT 26 27 CONECT 27 28 52 CONECT 28 29 29 53 CONECT 29 30 31 CONECT 30 54 55 56 CONECT 31 57 58 59 CONECT 32 33 33 60 CONECT 33 34 61 CONECT 34 35 36 37 CONECT 35 62 63 64 CONECT 36 65 66 67 END