COMPND HMDB0036321 HETATM 1 O1 UNL 1 -4.747 -4.749 0.194 1.00 0.00 O HETATM 2 C1 UNL 1 -4.609 -4.802 -1.194 1.00 0.00 C HETATM 3 C2 UNL 1 -3.555 -3.841 -1.683 1.00 0.00 C HETATM 4 O2 UNL 1 -2.321 -4.167 -1.092 1.00 0.00 O HETATM 5 C3 UNL 1 -1.382 -3.169 -1.414 1.00 0.00 C HETATM 6 O3 UNL 1 -1.904 -1.892 -1.248 1.00 0.00 O HETATM 7 C4 UNL 1 -1.434 -0.889 -0.426 1.00 0.00 C HETATM 8 C5 UNL 1 -2.139 0.300 -0.416 1.00 0.00 C HETATM 9 C6 UNL 1 -1.733 1.341 0.374 1.00 0.00 C HETATM 10 O4 UNL 1 -2.429 2.512 0.382 1.00 0.00 O HETATM 11 C7 UNL 1 -3.603 2.860 -0.286 1.00 0.00 C HETATM 12 O5 UNL 1 -3.259 3.699 -1.331 1.00 0.00 O HETATM 13 C8 UNL 1 -2.812 4.936 -1.074 1.00 0.00 C HETATM 14 C9 UNL 1 -1.331 4.901 -0.733 1.00 0.00 C HETATM 15 O6 UNL 1 -0.575 4.376 -1.752 1.00 0.00 O HETATM 16 C10 UNL 1 -3.603 5.665 -0.038 1.00 0.00 C HETATM 17 O7 UNL 1 -4.811 6.171 -0.555 1.00 0.00 O HETATM 18 C11 UNL 1 -3.920 4.767 1.161 1.00 0.00 C HETATM 19 O8 UNL 1 -4.725 5.464 2.022 1.00 0.00 O HETATM 20 C12 UNL 1 -4.611 3.494 0.660 1.00 0.00 C HETATM 21 O9 UNL 1 -5.769 3.864 0.030 1.00 0.00 O HETATM 22 C13 UNL 1 -0.584 1.208 1.192 1.00 0.00 C HETATM 23 C14 UNL 1 0.114 0.037 1.185 1.00 0.00 C HETATM 24 C15 UNL 1 1.323 -0.175 2.024 1.00 0.00 C HETATM 25 C16 UNL 1 2.358 0.845 1.776 1.00 0.00 C HETATM 26 C17 UNL 1 3.340 0.951 0.830 1.00 0.00 C HETATM 27 C18 UNL 1 3.490 -0.089 -0.162 1.00 0.00 C HETATM 28 C19 UNL 1 4.321 -0.105 -1.169 1.00 0.00 C HETATM 29 C20 UNL 1 4.483 -1.136 -2.165 1.00 0.00 C HETATM 30 C21 UNL 1 5.367 -0.955 -3.202 1.00 0.00 C HETATM 31 C22 UNL 1 5.583 -1.893 -4.181 1.00 0.00 C HETATM 32 C23 UNL 1 4.889 -3.115 -4.169 1.00 0.00 C HETATM 33 O10 UNL 1 5.051 -4.074 -5.097 1.00 0.00 O HETATM 34 C24 UNL 1 3.997 -3.289 -3.118 1.00 0.00 C HETATM 35 C25 UNL 1 3.799 -2.336 -2.150 1.00 0.00 C HETATM 36 C26 UNL 1 4.178 2.073 0.866 1.00 0.00 C HETATM 37 C27 UNL 1 4.039 3.064 1.823 1.00 0.00 C HETATM 38 O11 UNL 1 4.912 4.141 1.786 1.00 0.00 O HETATM 39 C28 UNL 1 3.048 2.934 2.759 1.00 0.00 C HETATM 40 C29 UNL 1 2.196 1.812 2.737 1.00 0.00 C HETATM 41 O12 UNL 1 1.144 1.464 3.553 1.00 0.00 O HETATM 42 C30 UNL 1 0.933 0.054 3.456 1.00 0.00 C HETATM 43 C31 UNL 1 1.817 -0.561 4.468 1.00 0.00 C HETATM 44 C32 UNL 1 2.570 -1.670 4.264 1.00 0.00 C HETATM 45 C33 UNL 1 3.376 -2.164 5.296 1.00 0.00 C HETATM 46 C34 UNL 1 3.408 -1.530 6.520 1.00 0.00 C HETATM 47 O13 UNL 1 4.211 -2.012 7.564 1.00 0.00 O HETATM 48 C35 UNL 1 2.656 -0.404 6.758 1.00 0.00 C HETATM 49 C36 UNL 1 1.870 0.067 5.730 1.00 0.00 C HETATM 50 C37 UNL 1 -0.317 -0.987 0.383 1.00 0.00 C HETATM 51 C38 UNL 1 -1.005 -3.410 -2.871 1.00 0.00 C HETATM 52 O14 UNL 1 -0.985 -2.167 -3.499 1.00 0.00 O HETATM 53 C39 UNL 1 -1.976 -4.336 -3.557 1.00 0.00 C HETATM 54 O15 UNL 1 -1.886 -4.082 -4.941 1.00 0.00 O HETATM 55 C40 UNL 1 -3.418 -4.017 -3.183 1.00 0.00 C HETATM 56 O16 UNL 1 -3.830 -2.848 -3.841 1.00 0.00 O HETATM 57 H1 UNL 1 -4.705 -3.798 0.478 1.00 0.00 H HETATM 58 H2 UNL 1 -5.575 -4.456 -1.659 1.00 0.00 H HETATM 59 H3 UNL 1 -4.421 -5.809 -1.575 1.00 0.00 H HETATM 60 H4 UNL 1 -3.814 -2.817 -1.401 1.00 0.00 H HETATM 61 H5 UNL 1 -0.488 -3.381 -0.808 1.00 0.00 H HETATM 62 H6 UNL 1 -3.020 0.359 -1.068 1.00 0.00 H HETATM 63 H7 UNL 1 -4.127 1.945 -0.701 1.00 0.00 H HETATM 64 H8 UNL 1 -2.936 5.543 -2.025 1.00 0.00 H HETATM 65 H9 UNL 1 -1.053 5.971 -0.529 1.00 0.00 H HETATM 66 H10 UNL 1 -1.107 4.371 0.204 1.00 0.00 H HETATM 67 H11 UNL 1 -0.513 5.009 -2.523 1.00 0.00 H HETATM 68 H12 UNL 1 -2.970 6.486 0.378 1.00 0.00 H HETATM 69 H13 UNL 1 -4.794 5.955 -1.541 1.00 0.00 H HETATM 70 H14 UNL 1 -2.962 4.522 1.657 1.00 0.00 H HETATM 71 H15 UNL 1 -4.702 6.419 1.813 1.00 0.00 H HETATM 72 H16 UNL 1 -4.840 2.850 1.527 1.00 0.00 H HETATM 73 H17 UNL 1 -5.761 3.846 -0.952 1.00 0.00 H HETATM 74 H18 UNL 1 -0.282 2.042 1.806 1.00 0.00 H HETATM 75 H19 UNL 1 1.693 -1.205 1.910 1.00 0.00 H HETATM 76 H20 UNL 1 2.845 -0.968 -0.071 1.00 0.00 H HETATM 77 H21 UNL 1 4.964 0.789 -1.246 1.00 0.00 H HETATM 78 H22 UNL 1 5.945 -0.017 -3.271 1.00 0.00 H HETATM 79 H23 UNL 1 6.275 -1.771 -5.006 1.00 0.00 H HETATM 80 H24 UNL 1 5.575 -4.220 -5.906 1.00 0.00 H HETATM 81 H25 UNL 1 3.456 -4.243 -3.102 1.00 0.00 H HETATM 82 H26 UNL 1 3.098 -2.510 -1.348 1.00 0.00 H HETATM 83 H27 UNL 1 4.964 2.195 0.137 1.00 0.00 H HETATM 84 H28 UNL 1 5.793 4.182 2.263 1.00 0.00 H HETATM 85 H29 UNL 1 2.927 3.700 3.515 1.00 0.00 H HETATM 86 H30 UNL 1 -0.147 -0.131 3.643 1.00 0.00 H HETATM 87 H31 UNL 1 2.558 -2.189 3.307 1.00 0.00 H HETATM 88 H32 UNL 1 3.965 -3.042 5.114 1.00 0.00 H HETATM 89 H33 UNL 1 3.822 -2.684 8.202 1.00 0.00 H HETATM 90 H34 UNL 1 2.677 0.096 7.710 1.00 0.00 H HETATM 91 H35 UNL 1 1.253 0.949 5.849 1.00 0.00 H HETATM 92 H36 UNL 1 0.237 -1.924 0.375 1.00 0.00 H HETATM 93 H37 UNL 1 0.027 -3.831 -2.944 1.00 0.00 H HETATM 94 H38 UNL 1 -1.470 -2.164 -4.362 1.00 0.00 H HETATM 95 H39 UNL 1 -1.784 -5.389 -3.319 1.00 0.00 H HETATM 96 H40 UNL 1 -1.609 -4.893 -5.435 1.00 0.00 H HETATM 97 H41 UNL 1 -4.045 -4.842 -3.578 1.00 0.00 H HETATM 98 H42 UNL 1 -4.144 -3.085 -4.764 1.00 0.00 H CONECT 1 2 57 CONECT 2 3 58 59 CONECT 3 4 55 60 CONECT 4 5 CONECT 5 6 51 61 CONECT 6 7 CONECT 7 8 8 50 CONECT 8 9 62 CONECT 9 10 22 22 CONECT 10 11 CONECT 11 12 20 63 CONECT 12 13 CONECT 13 14 16 64 CONECT 14 15 65 66 CONECT 15 67 CONECT 16 17 18 68 CONECT 17 69 CONECT 18 19 20 70 CONECT 19 71 CONECT 20 21 72 CONECT 21 73 CONECT 22 23 74 CONECT 23 24 50 50 CONECT 24 25 42 75 CONECT 25 26 40 40 CONECT 26 27 36 36 CONECT 27 28 28 76 CONECT 28 29 77 CONECT 29 30 30 35 CONECT 30 31 78 CONECT 31 32 32 79 CONECT 32 33 34 CONECT 33 80 CONECT 34 35 35 81 CONECT 35 82 CONECT 36 37 83 CONECT 37 38 39 39 CONECT 38 84 CONECT 39 40 85 CONECT 40 41 CONECT 41 42 CONECT 42 43 86 CONECT 43 44 44 49 CONECT 44 45 87 CONECT 45 46 46 88 CONECT 46 47 48 CONECT 47 89 CONECT 48 49 49 90 CONECT 49 91 CONECT 50 92 CONECT 51 52 53 93 CONECT 52 94 CONECT 53 54 55 95 CONECT 54 96 CONECT 55 56 97 CONECT 56 98 END