COMPND HMDB0035381 HETATM 1 C1 UNL 1 3.783 -1.770 -1.145 1.00 0.00 C HETATM 2 C2 UNL 1 3.168 -0.609 -0.407 1.00 0.00 C HETATM 3 C3 UNL 1 4.022 0.298 0.014 1.00 0.00 C HETATM 4 C4 UNL 1 3.667 1.486 0.742 1.00 0.00 C HETATM 5 O1 UNL 1 2.479 1.800 1.087 1.00 0.00 O HETATM 6 C5 UNL 1 4.680 2.467 1.162 1.00 0.00 C HETATM 7 C6 UNL 1 6.085 2.281 0.755 1.00 0.00 C HETATM 8 C7 UNL 1 6.298 2.259 -0.743 1.00 0.00 C HETATM 9 C8 UNL 1 6.851 1.256 1.474 1.00 0.00 C HETATM 10 O2 UNL 1 7.513 0.390 0.873 1.00 0.00 O HETATM 11 O3 UNL 1 6.840 1.253 2.855 1.00 0.00 O HETATM 12 C9 UNL 1 1.731 -0.457 -0.266 1.00 0.00 C HETATM 13 C10 UNL 1 1.050 -0.756 -1.632 1.00 0.00 C HETATM 14 C11 UNL 1 0.414 -2.084 -1.514 1.00 0.00 C HETATM 15 O4 UNL 1 1.199 -3.191 -1.630 1.00 0.00 O HETATM 16 C12 UNL 1 -0.167 -1.988 -0.097 1.00 0.00 C HETATM 17 C13 UNL 1 -0.556 -3.326 0.437 1.00 0.00 C HETATM 18 C14 UNL 1 -1.363 -1.136 -0.216 1.00 0.00 C HETATM 19 C15 UNL 1 -1.568 -0.022 0.437 1.00 0.00 C HETATM 20 C16 UNL 1 -0.567 0.361 1.426 1.00 0.00 C HETATM 21 O5 UNL 1 -0.478 1.500 1.945 1.00 0.00 O HETATM 22 C17 UNL 1 0.406 -0.670 1.840 1.00 0.00 C HETATM 23 C18 UNL 1 0.996 -1.390 0.624 1.00 0.00 C HETATM 24 C19 UNL 1 1.886 -2.458 1.213 1.00 0.00 C HETATM 25 C20 UNL 1 -2.741 0.892 0.258 1.00 0.00 C HETATM 26 C21 UNL 1 -2.158 2.177 -0.348 1.00 0.00 C HETATM 27 C22 UNL 1 -3.263 1.197 1.615 1.00 0.00 C HETATM 28 C23 UNL 1 -4.708 1.415 1.763 1.00 0.00 C HETATM 29 C24 UNL 1 -5.554 0.715 0.765 1.00 0.00 C HETATM 30 O6 UNL 1 -6.542 0.078 1.008 1.00 0.00 O HETATM 31 C25 UNL 1 -5.097 0.841 -0.658 1.00 0.00 C HETATM 32 C26 UNL 1 -5.256 2.285 -1.065 1.00 0.00 C HETATM 33 C27 UNL 1 -5.965 0.021 -1.587 1.00 0.00 C HETATM 34 C28 UNL 1 -3.707 0.345 -0.723 1.00 0.00 C HETATM 35 C29 UNL 1 -3.740 -1.175 -0.550 1.00 0.00 C HETATM 36 C30 UNL 1 -2.409 -1.622 -1.175 1.00 0.00 C HETATM 37 O7 UNL 1 -2.347 -0.921 -2.399 1.00 0.00 O HETATM 38 H1 UNL 1 3.696 -2.730 -0.630 1.00 0.00 H HETATM 39 H2 UNL 1 4.898 -1.631 -1.268 1.00 0.00 H HETATM 40 H3 UNL 1 3.434 -1.789 -2.201 1.00 0.00 H HETATM 41 H4 UNL 1 5.114 0.144 -0.202 1.00 0.00 H HETATM 42 H5 UNL 1 4.676 2.579 2.290 1.00 0.00 H HETATM 43 H6 UNL 1 4.370 3.493 0.808 1.00 0.00 H HETATM 44 H7 UNL 1 6.603 3.265 1.078 1.00 0.00 H HETATM 45 H8 UNL 1 5.328 2.222 -1.290 1.00 0.00 H HETATM 46 H9 UNL 1 6.859 3.178 -1.048 1.00 0.00 H HETATM 47 H10 UNL 1 6.963 1.392 -0.971 1.00 0.00 H HETATM 48 H11 UNL 1 7.589 0.914 3.436 1.00 0.00 H HETATM 49 H12 UNL 1 1.358 0.554 -0.032 1.00 0.00 H HETATM 50 H13 UNL 1 0.247 -0.014 -1.809 1.00 0.00 H HETATM 51 H14 UNL 1 1.770 -0.642 -2.454 1.00 0.00 H HETATM 52 H15 UNL 1 -0.408 -2.186 -2.257 1.00 0.00 H HETATM 53 H16 UNL 1 0.783 -3.964 -2.053 1.00 0.00 H HETATM 54 H17 UNL 1 -1.670 -3.487 0.401 1.00 0.00 H HETATM 55 H18 UNL 1 -0.124 -4.140 -0.174 1.00 0.00 H HETATM 56 H19 UNL 1 -0.305 -3.421 1.522 1.00 0.00 H HETATM 57 H20 UNL 1 -0.195 -1.465 2.370 1.00 0.00 H HETATM 58 H21 UNL 1 1.161 -0.334 2.544 1.00 0.00 H HETATM 59 H22 UNL 1 2.888 -2.060 1.458 1.00 0.00 H HETATM 60 H23 UNL 1 1.865 -3.395 0.645 1.00 0.00 H HETATM 61 H24 UNL 1 1.483 -2.759 2.239 1.00 0.00 H HETATM 62 H25 UNL 1 -2.502 3.064 0.261 1.00 0.00 H HETATM 63 H26 UNL 1 -1.064 2.204 -0.307 1.00 0.00 H HETATM 64 H27 UNL 1 -2.452 2.296 -1.409 1.00 0.00 H HETATM 65 H28 UNL 1 -2.731 2.116 1.995 1.00 0.00 H HETATM 66 H29 UNL 1 -2.956 0.397 2.352 1.00 0.00 H HETATM 67 H30 UNL 1 -4.957 2.510 1.660 1.00 0.00 H HETATM 68 H31 UNL 1 -5.070 1.120 2.769 1.00 0.00 H HETATM 69 H32 UNL 1 -4.829 2.992 -0.318 1.00 0.00 H HETATM 70 H33 UNL 1 -4.882 2.452 -2.085 1.00 0.00 H HETATM 71 H34 UNL 1 -6.354 2.489 -1.085 1.00 0.00 H HETATM 72 H35 UNL 1 -5.363 -0.349 -2.442 1.00 0.00 H HETATM 73 H36 UNL 1 -6.775 0.642 -2.042 1.00 0.00 H HETATM 74 H37 UNL 1 -6.463 -0.819 -1.080 1.00 0.00 H HETATM 75 H38 UNL 1 -3.318 0.590 -1.748 1.00 0.00 H HETATM 76 H39 UNL 1 -4.596 -1.637 -1.062 1.00 0.00 H HETATM 77 H40 UNL 1 -3.680 -1.387 0.525 1.00 0.00 H HETATM 78 H41 UNL 1 -2.389 -2.698 -1.331 1.00 0.00 H HETATM 79 H42 UNL 1 -2.883 -1.450 -3.040 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 3 12 CONECT 3 4 41 CONECT 4 5 5 6 CONECT 6 7 42 43 CONECT 7 8 9 44 CONECT 8 45 46 47 CONECT 9 10 10 11 CONECT 11 48 CONECT 12 13 23 49 CONECT 13 14 50 51 CONECT 14 15 16 52 CONECT 15 53 CONECT 16 17 18 23 CONECT 17 54 55 56 CONECT 18 19 19 36 CONECT 19 20 25 CONECT 20 21 21 22 CONECT 22 23 57 58 CONECT 23 24 CONECT 24 59 60 61 CONECT 25 26 27 34 CONECT 26 62 63 64 CONECT 27 28 65 66 CONECT 28 29 67 68 CONECT 29 30 30 31 CONECT 31 32 33 34 CONECT 32 69 70 71 CONECT 33 72 73 74 CONECT 34 35 75 CONECT 35 36 76 77 CONECT 36 37 78 CONECT 37 79 END