COMPND HMDB0259058 HETATM 1 C1 UNL 1 -4.541 3.717 -0.248 1.00 0.00 C HETATM 2 C2 UNL 1 -3.540 2.899 -1.031 1.00 0.00 C HETATM 3 C3 UNL 1 -4.127 2.657 -2.406 1.00 0.00 C HETATM 4 C4 UNL 1 -3.251 1.589 -0.323 1.00 0.00 C HETATM 5 N1 UNL 1 -2.228 0.844 -1.113 1.00 0.00 N HETATM 6 C5 UNL 1 -1.032 0.431 -0.531 1.00 0.00 C HETATM 7 O1 UNL 1 -0.952 0.777 0.757 1.00 0.00 O HETATM 8 C6 UNL 1 0.123 -0.295 -1.047 1.00 0.00 C HETATM 9 C7 UNL 1 -0.229 -1.492 -1.877 1.00 0.00 C HETATM 10 C8 UNL 1 -0.903 -1.164 -3.134 1.00 0.00 C HETATM 11 O2 UNL 1 -0.797 -0.050 -3.687 1.00 0.00 O HETATM 12 O3 UNL 1 -1.700 -2.127 -3.746 1.00 0.00 O HETATM 13 N2 UNL 1 1.051 -0.704 -0.016 1.00 0.00 N HETATM 14 C9 UNL 1 2.448 -0.596 -0.163 1.00 0.00 C HETATM 15 O4 UNL 1 2.892 -0.117 -1.249 1.00 0.00 O HETATM 16 C10 UNL 1 3.411 -1.017 0.876 1.00 0.00 C HETATM 17 C11 UNL 1 3.213 -0.439 2.210 1.00 0.00 C HETATM 18 C12 UNL 1 3.277 1.018 2.414 1.00 0.00 C HETATM 19 C13 UNL 1 2.297 1.863 1.682 1.00 0.00 C HETATM 20 C14 UNL 1 2.559 3.326 2.063 1.00 0.00 C HETATM 21 N3 UNL 1 3.902 3.733 1.708 1.00 0.00 N HETATM 22 N4 UNL 1 4.784 -0.926 0.392 1.00 0.00 N HETATM 23 C15 UNL 1 5.555 -2.036 0.046 1.00 0.00 C HETATM 24 O5 UNL 1 5.106 -3.185 0.134 1.00 0.00 O HETATM 25 C16 UNL 1 6.951 -1.844 -0.444 1.00 0.00 C HETATM 26 N5 UNL 1 7.305 -0.421 -0.387 1.00 0.00 N HETATM 27 C17 UNL 1 7.099 -2.262 -1.866 1.00 0.00 C HETATM 28 C18 UNL 1 8.478 -2.060 -2.383 1.00 0.00 C HETATM 29 C19 UNL 1 9.574 -2.796 -1.724 1.00 0.00 C HETATM 30 N6 UNL 1 9.831 -2.543 -0.355 1.00 0.00 N HETATM 31 C20 UNL 1 10.391 -1.496 0.141 1.00 0.00 C HETATM 32 N7 UNL 1 10.858 -0.391 -0.610 1.00 0.00 N HETATM 33 N8 UNL 1 10.561 -1.459 1.575 1.00 0.00 N HETATM 34 C21 UNL 1 -4.465 0.759 -0.191 1.00 0.00 C HETATM 35 O6 UNL 1 -4.487 -0.321 -0.857 1.00 0.00 O HETATM 36 N9 UNL 1 -5.594 1.037 0.593 1.00 0.00 N HETATM 37 C22 UNL 1 -6.749 0.107 0.628 1.00 0.00 C HETATM 38 C23 UNL 1 -7.995 0.921 0.611 1.00 0.00 C HETATM 39 C24 UNL 1 -9.255 0.180 0.648 1.00 0.00 C HETATM 40 C25 UNL 1 -9.849 -0.133 1.879 1.00 0.00 C HETATM 41 C26 UNL 1 -11.038 -0.823 1.938 1.00 0.00 C HETATM 42 C27 UNL 1 -11.712 -1.243 0.817 1.00 0.00 C HETATM 43 O7 UNL 1 -12.905 -1.934 0.877 1.00 0.00 O HETATM 44 C28 UNL 1 -11.137 -0.940 -0.403 1.00 0.00 C HETATM 45 C29 UNL 1 -9.944 -0.249 -0.481 1.00 0.00 C HETATM 46 C30 UNL 1 -6.627 -0.760 1.843 1.00 0.00 C HETATM 47 O8 UNL 1 -5.682 -0.591 2.636 1.00 0.00 O HETATM 48 O9 UNL 1 -7.576 -1.733 2.051 1.00 0.00 O HETATM 49 H1 UNL 1 -4.365 3.715 0.834 1.00 0.00 H HETATM 50 H2 UNL 1 -5.544 3.421 -0.561 1.00 0.00 H HETATM 51 H3 UNL 1 -4.422 4.775 -0.649 1.00 0.00 H HETATM 52 H4 UNL 1 -2.603 3.508 -1.129 1.00 0.00 H HETATM 53 H5 UNL 1 -3.579 3.283 -3.142 1.00 0.00 H HETATM 54 H6 UNL 1 -4.096 1.622 -2.741 1.00 0.00 H HETATM 55 H7 UNL 1 -5.169 3.063 -2.401 1.00 0.00 H HETATM 56 H8 UNL 1 -2.812 1.733 0.671 1.00 0.00 H HETATM 57 H9 UNL 1 -2.502 0.670 -2.066 1.00 0.00 H HETATM 58 H10 UNL 1 0.715 0.417 -1.751 1.00 0.00 H HETATM 59 H11 UNL 1 -0.888 -2.201 -1.268 1.00 0.00 H HETATM 60 H12 UNL 1 0.678 -2.129 -2.063 1.00 0.00 H HETATM 61 H13 UNL 1 -2.087 -2.034 -4.674 1.00 0.00 H HETATM 62 H14 UNL 1 0.657 -1.092 0.863 1.00 0.00 H HETATM 63 H15 UNL 1 3.222 -2.128 0.978 1.00 0.00 H HETATM 64 H16 UNL 1 2.203 -0.785 2.585 1.00 0.00 H HETATM 65 H17 UNL 1 3.931 -0.908 2.921 1.00 0.00 H HETATM 66 H18 UNL 1 4.331 1.434 2.332 1.00 0.00 H HETATM 67 H19 UNL 1 3.043 1.192 3.512 1.00 0.00 H HETATM 68 H20 UNL 1 1.254 1.677 2.049 1.00 0.00 H HETATM 69 H21 UNL 1 2.269 1.777 0.604 1.00 0.00 H HETATM 70 H22 UNL 1 2.439 3.473 3.150 1.00 0.00 H HETATM 71 H23 UNL 1 1.866 3.998 1.511 1.00 0.00 H HETATM 72 H24 UNL 1 4.513 3.619 2.567 1.00 0.00 H HETATM 73 H25 UNL 1 4.269 3.060 1.019 1.00 0.00 H HETATM 74 H26 UNL 1 5.194 0.019 0.306 1.00 0.00 H HETATM 75 H27 UNL 1 7.652 -2.418 0.194 1.00 0.00 H HETATM 76 H28 UNL 1 7.241 -0.075 0.579 1.00 0.00 H HETATM 77 H29 UNL 1 6.842 0.141 -1.107 1.00 0.00 H HETATM 78 H30 UNL 1 6.760 -3.331 -2.001 1.00 0.00 H HETATM 79 H31 UNL 1 6.383 -1.597 -2.449 1.00 0.00 H HETATM 80 H32 UNL 1 8.459 -2.349 -3.485 1.00 0.00 H HETATM 81 H33 UNL 1 8.659 -0.953 -2.429 1.00 0.00 H HETATM 82 H34 UNL 1 10.549 -2.604 -2.271 1.00 0.00 H HETATM 83 H35 UNL 1 9.444 -3.916 -1.868 1.00 0.00 H HETATM 84 H36 UNL 1 11.870 -0.343 -0.842 1.00 0.00 H HETATM 85 H37 UNL 1 10.185 0.374 -0.925 1.00 0.00 H HETATM 86 H38 UNL 1 11.346 -1.997 1.968 1.00 0.00 H HETATM 87 H39 UNL 1 9.878 -0.888 2.134 1.00 0.00 H HETATM 88 H40 UNL 1 -5.733 1.867 1.204 1.00 0.00 H HETATM 89 H41 UNL 1 -6.684 -0.559 -0.226 1.00 0.00 H HETATM 90 H42 UNL 1 -8.019 1.614 -0.282 1.00 0.00 H HETATM 91 H43 UNL 1 -8.010 1.642 1.485 1.00 0.00 H HETATM 92 H44 UNL 1 -9.347 0.188 2.780 1.00 0.00 H HETATM 93 H45 UNL 1 -11.466 -1.049 2.914 1.00 0.00 H HETATM 94 H46 UNL 1 -12.897 -2.942 0.917 1.00 0.00 H HETATM 95 H47 UNL 1 -11.635 -1.253 -1.330 1.00 0.00 H HETATM 96 H48 UNL 1 -9.490 -0.006 -1.445 1.00 0.00 H HETATM 97 H49 UNL 1 -7.854 -2.441 1.381 1.00 0.00 H CONECT 1 2 49 50 51 CONECT 2 3 4 52 CONECT 3 53 54 55 CONECT 4 5 34 56 CONECT 5 6 57 CONECT 6 7 7 8 CONECT 8 9 13 58 CONECT 9 10 59 60 CONECT 10 11 11 12 CONECT 12 61 CONECT 13 14 62 CONECT 14 15 15 16 CONECT 16 17 22 63 CONECT 17 18 64 65 CONECT 18 19 66 67 CONECT 19 20 68 69 CONECT 20 21 70 71 CONECT 21 72 73 CONECT 22 23 74 CONECT 23 24 24 25 CONECT 25 26 27 75 CONECT 26 76 77 CONECT 27 28 78 79 CONECT 28 29 80 81 CONECT 29 30 82 83 CONECT 30 31 31 CONECT 31 32 33 CONECT 32 84 85 CONECT 33 86 87 CONECT 34 35 35 36 CONECT 36 37 88 CONECT 37 38 46 89 CONECT 38 39 90 91 CONECT 39 40 40 45 CONECT 40 41 92 CONECT 41 42 42 93 CONECT 42 43 44 CONECT 43 94 CONECT 44 45 45 95 CONECT 45 96 CONECT 46 47 47 48 CONECT 48 97 END