COMPND HMDB0041742 HETATM 1 C1 UNL 1 -5.862 2.698 2.734 1.00 0.00 C HETATM 2 O1 UNL 1 -5.398 1.775 1.799 1.00 0.00 O HETATM 3 C2 UNL 1 -4.303 2.011 0.965 1.00 0.00 C HETATM 4 C3 UNL 1 -3.594 3.176 1.000 1.00 0.00 C HETATM 5 C4 UNL 1 -2.496 3.412 0.163 1.00 0.00 C HETATM 6 C5 UNL 1 -2.081 2.469 -0.741 1.00 0.00 C HETATM 7 C6 UNL 1 -0.940 2.638 -1.667 1.00 0.00 C HETATM 8 C7 UNL 1 -0.195 3.918 -1.528 1.00 0.00 C HETATM 9 C8 UNL 1 0.806 3.844 -0.414 1.00 0.00 C HETATM 10 O2 UNL 1 0.942 4.689 0.476 1.00 0.00 O HETATM 11 C9 UNL 1 1.662 2.644 -0.441 1.00 0.00 C HETATM 12 C10 UNL 1 2.927 2.693 0.153 1.00 0.00 C HETATM 13 O3 UNL 1 3.331 3.881 0.753 1.00 0.00 O HETATM 14 C11 UNL 1 3.738 1.570 0.132 1.00 0.00 C HETATM 15 C12 UNL 1 3.264 0.435 -0.481 1.00 0.00 C HETATM 16 O4 UNL 1 4.050 -0.695 -0.516 1.00 0.00 O HETATM 17 C13 UNL 1 5.321 -0.902 -0.009 1.00 0.00 C HETATM 18 O5 UNL 1 6.219 -1.247 -1.029 1.00 0.00 O HETATM 19 C14 UNL 1 7.505 -1.189 -0.495 1.00 0.00 C HETATM 20 C15 UNL 1 8.540 -1.147 -1.528 1.00 0.00 C HETATM 21 O6 UNL 1 8.221 -1.164 -2.735 1.00 0.00 O HETATM 22 O7 UNL 1 9.872 -1.089 -1.172 1.00 0.00 O HETATM 23 C16 UNL 1 7.661 -2.372 0.440 1.00 0.00 C HETATM 24 O8 UNL 1 8.955 -2.487 0.929 1.00 0.00 O HETATM 25 C17 UNL 1 6.698 -2.160 1.588 1.00 0.00 C HETATM 26 O9 UNL 1 6.771 -3.158 2.530 1.00 0.00 O HETATM 27 C18 UNL 1 5.297 -1.973 1.069 1.00 0.00 C HETATM 28 O10 UNL 1 4.523 -1.474 2.122 1.00 0.00 O HETATM 29 C19 UNL 1 2.000 0.399 -1.071 1.00 0.00 C HETATM 30 C20 UNL 1 1.189 1.518 -1.051 1.00 0.00 C HETATM 31 O11 UNL 1 -0.070 1.509 -1.628 1.00 0.00 O HETATM 32 C21 UNL 1 -2.814 1.276 -0.770 1.00 0.00 C HETATM 33 C22 UNL 1 -3.893 1.031 0.045 1.00 0.00 C HETATM 34 O12 UNL 1 -4.641 -0.114 0.056 1.00 0.00 O HETATM 35 C23 UNL 1 -4.438 -1.222 -0.753 1.00 0.00 C HETATM 36 O13 UNL 1 -5.500 -1.476 -1.614 1.00 0.00 O HETATM 37 C24 UNL 1 -6.679 -1.781 -0.968 1.00 0.00 C HETATM 38 C25 UNL 1 -7.482 -0.585 -0.631 1.00 0.00 C HETATM 39 O14 UNL 1 -8.587 -0.676 -0.039 1.00 0.00 O HETATM 40 O15 UNL 1 -7.052 0.695 -0.952 1.00 0.00 O HETATM 41 C26 UNL 1 -6.468 -2.614 0.275 1.00 0.00 C HETATM 42 O16 UNL 1 -7.532 -3.484 0.508 1.00 0.00 O HETATM 43 C27 UNL 1 -5.210 -3.428 0.068 1.00 0.00 C HETATM 44 O17 UNL 1 -5.118 -4.308 1.156 1.00 0.00 O HETATM 45 C28 UNL 1 -4.055 -2.458 0.044 1.00 0.00 C HETATM 46 O18 UNL 1 -2.967 -3.130 -0.511 1.00 0.00 O HETATM 47 H1 UNL 1 -6.136 3.634 2.169 1.00 0.00 H HETATM 48 H2 UNL 1 -6.696 2.316 3.321 1.00 0.00 H HETATM 49 H3 UNL 1 -4.998 3.000 3.379 1.00 0.00 H HETATM 50 H4 UNL 1 -3.901 3.952 1.714 1.00 0.00 H HETATM 51 H5 UNL 1 -1.976 4.351 0.245 1.00 0.00 H HETATM 52 H6 UNL 1 -1.349 2.620 -2.722 1.00 0.00 H HETATM 53 H7 UNL 1 -0.872 4.745 -1.318 1.00 0.00 H HETATM 54 H8 UNL 1 0.416 4.148 -2.449 1.00 0.00 H HETATM 55 H9 UNL 1 4.250 3.892 1.176 1.00 0.00 H HETATM 56 H10 UNL 1 4.702 1.666 0.606 1.00 0.00 H HETATM 57 H11 UNL 1 5.737 -0.004 0.479 1.00 0.00 H HETATM 58 H12 UNL 1 7.545 -0.258 0.137 1.00 0.00 H HETATM 59 H13 UNL 1 10.395 -0.208 -1.205 1.00 0.00 H HETATM 60 H14 UNL 1 7.348 -3.284 -0.106 1.00 0.00 H HETATM 61 H15 UNL 1 9.481 -2.944 0.209 1.00 0.00 H HETATM 62 H16 UNL 1 7.006 -1.208 2.085 1.00 0.00 H HETATM 63 H17 UNL 1 6.694 -4.032 2.046 1.00 0.00 H HETATM 64 H18 UNL 1 4.847 -2.912 0.736 1.00 0.00 H HETATM 65 H19 UNL 1 4.922 -0.584 2.344 1.00 0.00 H HETATM 66 H20 UNL 1 1.650 -0.490 -1.541 1.00 0.00 H HETATM 67 H21 UNL 1 -2.472 0.533 -1.495 1.00 0.00 H HETATM 68 H22 UNL 1 -3.575 -1.036 -1.413 1.00 0.00 H HETATM 69 H23 UNL 1 -7.287 -2.396 -1.664 1.00 0.00 H HETATM 70 H24 UNL 1 -7.464 1.104 -1.802 1.00 0.00 H HETATM 71 H25 UNL 1 -6.343 -2.001 1.184 1.00 0.00 H HETATM 72 H26 UNL 1 -8.036 -3.587 -0.338 1.00 0.00 H HETATM 73 H27 UNL 1 -5.326 -3.978 -0.887 1.00 0.00 H HETATM 74 H28 UNL 1 -4.690 -3.817 1.905 1.00 0.00 H HETATM 75 H29 UNL 1 -3.856 -2.182 1.107 1.00 0.00 H HETATM 76 H30 UNL 1 -2.137 -2.989 -0.017 1.00 0.00 H CONECT 1 2 47 48 49 CONECT 2 3 CONECT 3 4 4 33 CONECT 4 5 50 CONECT 5 6 6 51 CONECT 6 7 32 CONECT 7 8 31 52 CONECT 8 9 53 54 CONECT 9 10 10 11 CONECT 11 12 12 30 CONECT 12 13 14 CONECT 13 55 CONECT 14 15 15 56 CONECT 15 16 29 CONECT 16 17 CONECT 17 18 27 57 CONECT 18 19 CONECT 19 20 23 58 CONECT 20 21 21 22 CONECT 22 59 CONECT 23 24 25 60 CONECT 24 61 CONECT 25 26 27 62 CONECT 26 63 CONECT 27 28 64 CONECT 28 65 CONECT 29 30 30 66 CONECT 30 31 CONECT 32 33 33 67 CONECT 33 34 CONECT 34 35 CONECT 35 36 45 68 CONECT 36 37 CONECT 37 38 41 69 CONECT 38 39 39 40 CONECT 40 70 CONECT 41 42 43 71 CONECT 42 72 CONECT 43 44 45 73 CONECT 44 74 CONECT 45 46 75 CONECT 46 76 END