COMPND HMDB0004947 HETATM 1 C1 UNL 1 -10.633 3.886 1.428 1.00 0.00 C HETATM 2 C2 UNL 1 -11.168 2.671 0.744 1.00 0.00 C HETATM 3 C3 UNL 1 -11.188 1.463 1.645 1.00 0.00 C HETATM 4 C4 UNL 1 -11.699 0.222 1.039 1.00 0.00 C HETATM 5 C5 UNL 1 -11.119 -0.354 -0.163 1.00 0.00 C HETATM 6 C6 UNL 1 -9.704 -0.778 -0.163 1.00 0.00 C HETATM 7 C7 UNL 1 -8.728 0.307 0.003 1.00 0.00 C HETATM 8 C8 UNL 1 -7.245 -0.178 -0.079 1.00 0.00 C HETATM 9 C9 UNL 1 -6.945 -1.155 0.969 1.00 0.00 C HETATM 10 C10 UNL 1 -5.635 -1.822 1.066 1.00 0.00 C HETATM 11 C11 UNL 1 -4.438 -0.986 1.210 1.00 0.00 C HETATM 12 C12 UNL 1 -4.064 -0.175 0.039 1.00 0.00 C HETATM 13 C13 UNL 1 -2.832 0.686 0.338 1.00 0.00 C HETATM 14 C14 UNL 1 -1.699 -0.212 0.669 1.00 0.00 C HETATM 15 C15 UNL 1 -0.599 -0.167 -0.100 1.00 0.00 C HETATM 16 C16 UNL 1 0.514 -1.061 0.239 1.00 0.00 C HETATM 17 O1 UNL 1 0.031 -2.318 0.597 1.00 0.00 O HETATM 18 C17 UNL 1 1.527 -1.231 -0.842 1.00 0.00 C HETATM 19 C18 UNL 1 1.016 -1.889 -2.080 1.00 0.00 C HETATM 20 O2 UNL 1 -0.015 -1.203 -2.701 1.00 0.00 O HETATM 21 N1 UNL 1 2.591 -2.065 -0.316 1.00 0.00 N HETATM 22 C19 UNL 1 3.913 -1.651 -0.143 1.00 0.00 C HETATM 23 O3 UNL 1 4.246 -0.488 -0.447 1.00 0.00 O HETATM 24 C20 UNL 1 4.923 -2.575 0.397 1.00 0.00 C HETATM 25 C21 UNL 1 6.318 -2.028 0.435 1.00 0.00 C HETATM 26 C22 UNL 1 6.873 -1.664 -0.906 1.00 0.00 C HETATM 27 C23 UNL 1 8.285 -1.129 -0.752 1.00 0.00 C HETATM 28 C24 UNL 1 8.777 -0.779 -2.136 1.00 0.00 C HETATM 29 C25 UNL 1 10.164 -0.241 -2.186 1.00 0.00 C HETATM 30 C26 UNL 1 10.194 1.048 -1.332 1.00 0.00 C HETATM 31 C27 UNL 1 11.561 1.622 -1.364 1.00 0.00 C HETATM 32 C28 UNL 1 11.784 2.896 -0.651 1.00 0.00 C HETATM 33 C29 UNL 1 11.520 2.938 0.813 1.00 0.00 C HETATM 34 C30 UNL 1 10.119 2.704 1.251 1.00 0.00 C HETATM 35 H1 UNL 1 -10.016 4.505 0.733 1.00 0.00 H HETATM 36 H2 UNL 1 -11.481 4.455 1.856 1.00 0.00 H HETATM 37 H3 UNL 1 -9.973 3.534 2.270 1.00 0.00 H HETATM 38 H4 UNL 1 -12.223 2.892 0.414 1.00 0.00 H HETATM 39 H5 UNL 1 -10.605 2.478 -0.188 1.00 0.00 H HETATM 40 H6 UNL 1 -12.041 1.765 2.405 1.00 0.00 H HETATM 41 H7 UNL 1 -10.316 1.342 2.291 1.00 0.00 H HETATM 42 H8 UNL 1 -12.812 0.378 0.837 1.00 0.00 H HETATM 43 H9 UNL 1 -11.630 -0.576 1.856 1.00 0.00 H HETATM 44 H10 UNL 1 -11.313 0.351 -1.059 1.00 0.00 H HETATM 45 H11 UNL 1 -11.751 -1.251 -0.461 1.00 0.00 H HETATM 46 H12 UNL 1 -9.445 -1.392 -1.076 1.00 0.00 H HETATM 47 H13 UNL 1 -9.535 -1.512 0.694 1.00 0.00 H HETATM 48 H14 UNL 1 -8.752 0.897 0.915 1.00 0.00 H HETATM 49 H15 UNL 1 -8.779 1.072 -0.838 1.00 0.00 H HETATM 50 H16 UNL 1 -6.998 -0.531 -1.084 1.00 0.00 H HETATM 51 H17 UNL 1 -6.715 0.810 0.063 1.00 0.00 H HETATM 52 H18 UNL 1 -7.700 -2.015 0.905 1.00 0.00 H HETATM 53 H19 UNL 1 -7.180 -0.671 1.971 1.00 0.00 H HETATM 54 H20 UNL 1 -5.545 -2.510 0.144 1.00 0.00 H HETATM 55 H21 UNL 1 -5.725 -2.568 1.929 1.00 0.00 H HETATM 56 H22 UNL 1 -4.453 -0.376 2.172 1.00 0.00 H HETATM 57 H23 UNL 1 -3.576 -1.705 1.441 1.00 0.00 H HETATM 58 H24 UNL 1 -3.607 -0.953 -0.704 1.00 0.00 H HETATM 59 H25 UNL 1 -4.786 0.323 -0.562 1.00 0.00 H HETATM 60 H26 UNL 1 -2.611 1.398 -0.452 1.00 0.00 H HETATM 61 H27 UNL 1 -3.115 1.268 1.268 1.00 0.00 H HETATM 62 H28 UNL 1 -1.759 -0.891 1.524 1.00 0.00 H HETATM 63 H29 UNL 1 -0.620 0.536 -0.921 1.00 0.00 H HETATM 64 H30 UNL 1 1.012 -0.654 1.139 1.00 0.00 H HETATM 65 H31 UNL 1 -0.627 -2.560 -0.120 1.00 0.00 H HETATM 66 H32 UNL 1 1.963 -0.245 -1.073 1.00 0.00 H HETATM 67 H33 UNL 1 0.721 -2.939 -1.940 1.00 0.00 H HETATM 68 H34 UNL 1 1.862 -1.896 -2.816 1.00 0.00 H HETATM 69 H35 UNL 1 -0.894 -1.571 -2.354 1.00 0.00 H HETATM 70 H36 UNL 1 2.285 -3.051 -0.062 1.00 0.00 H HETATM 71 H37 UNL 1 4.881 -3.505 -0.210 1.00 0.00 H HETATM 72 H38 UNL 1 4.644 -2.864 1.455 1.00 0.00 H HETATM 73 H39 UNL 1 6.958 -2.840 0.882 1.00 0.00 H HETATM 74 H40 UNL 1 6.378 -1.157 1.131 1.00 0.00 H HETATM 75 H41 UNL 1 6.239 -0.940 -1.432 1.00 0.00 H HETATM 76 H42 UNL 1 6.951 -2.556 -1.557 1.00 0.00 H HETATM 77 H43 UNL 1 8.219 -0.222 -0.117 1.00 0.00 H HETATM 78 H44 UNL 1 8.927 -1.854 -0.244 1.00 0.00 H HETATM 79 H45 UNL 1 8.107 -0.001 -2.597 1.00 0.00 H HETATM 80 H46 UNL 1 8.702 -1.656 -2.816 1.00 0.00 H HETATM 81 H47 UNL 1 10.930 -0.954 -1.848 1.00 0.00 H HETATM 82 H48 UNL 1 10.394 -0.005 -3.241 1.00 0.00 H HETATM 83 H49 UNL 1 9.383 1.681 -1.700 1.00 0.00 H HETATM 84 H50 UNL 1 10.004 0.698 -0.273 1.00 0.00 H HETATM 85 H51 UNL 1 12.267 0.812 -0.995 1.00 0.00 H HETATM 86 H52 UNL 1 11.823 1.744 -2.462 1.00 0.00 H HETATM 87 H53 UNL 1 12.862 3.226 -0.778 1.00 0.00 H HETATM 88 H54 UNL 1 11.210 3.739 -1.134 1.00 0.00 H HETATM 89 H55 UNL 1 12.183 2.180 1.327 1.00 0.00 H HETATM 90 H56 UNL 1 11.825 3.972 1.166 1.00 0.00 H HETATM 91 H57 UNL 1 9.976 1.750 1.776 1.00 0.00 H HETATM 92 H58 UNL 1 9.859 3.508 2.012 1.00 0.00 H HETATM 93 H59 UNL 1 9.376 2.813 0.414 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 38 39 CONECT 3 4 40 41 CONECT 4 5 42 43 CONECT 5 6 44 45 CONECT 6 7 46 47 CONECT 7 8 48 49 CONECT 8 9 50 51 CONECT 9 10 52 53 CONECT 10 11 54 55 CONECT 11 12 56 57 CONECT 12 13 58 59 CONECT 13 14 60 61 CONECT 14 15 15 62 CONECT 15 16 63 CONECT 16 17 18 64 CONECT 17 65 CONECT 18 19 21 66 CONECT 19 20 67 68 CONECT 20 69 CONECT 21 22 70 CONECT 22 23 23 24 CONECT 24 25 71 72 CONECT 25 26 73 74 CONECT 26 27 75 76 CONECT 27 28 77 78 CONECT 28 29 79 80 CONECT 29 30 81 82 CONECT 30 31 83 84 CONECT 31 32 85 86 CONECT 32 33 87 88 CONECT 33 34 89 90 CONECT 34 91 92 93 END