COMPND HMDB0015010 HETATM 1 C1 UNL 1 8.533 0.830 2.764 1.00 0.00 C HETATM 2 C2 UNL 1 7.278 0.391 2.096 1.00 0.00 C HETATM 3 N1 UNL 1 7.248 -0.427 1.009 1.00 0.00 N HETATM 4 C3 UNL 1 5.985 -0.626 0.661 1.00 0.00 C HETATM 5 C4 UNL 1 5.172 0.069 1.527 1.00 0.00 C HETATM 6 N2 UNL 1 5.995 0.697 2.415 1.00 0.00 N HETATM 7 C5 UNL 1 3.696 0.233 1.645 1.00 0.00 C HETATM 8 C6 UNL 1 2.941 -1.004 1.170 1.00 0.00 C HETATM 9 N3 UNL 1 3.032 -1.145 -0.259 1.00 0.00 N HETATM 10 C7 UNL 1 2.053 -0.758 -1.177 1.00 0.00 C HETATM 11 O1 UNL 1 2.350 -0.912 -2.440 1.00 0.00 O HETATM 12 C8 UNL 1 0.728 -0.203 -0.946 1.00 0.00 C HETATM 13 C9 UNL 1 0.251 0.322 0.214 1.00 0.00 C HETATM 14 C10 UNL 1 -1.056 0.749 0.367 1.00 0.00 C HETATM 15 C11 UNL 1 -1.980 0.666 -0.681 1.00 0.00 C HETATM 16 N4 UNL 1 -3.304 1.099 -0.456 1.00 0.00 N HETATM 17 C12 UNL 1 -4.212 1.422 -1.458 1.00 0.00 C HETATM 18 O2 UNL 1 -3.860 1.362 -2.674 1.00 0.00 O HETATM 19 C13 UNL 1 -5.601 1.852 -1.246 1.00 0.00 C HETATM 20 C14 UNL 1 -6.157 2.789 -2.121 1.00 0.00 C HETATM 21 C15 UNL 1 -7.413 3.308 -1.961 1.00 0.00 C HETATM 22 C16 UNL 1 -8.142 2.871 -0.881 1.00 0.00 C HETATM 23 C17 UNL 1 -7.630 1.958 -0.009 1.00 0.00 C HETATM 24 C18 UNL 1 -6.337 1.421 -0.174 1.00 0.00 C HETATM 25 C19 UNL 1 -5.901 0.390 0.759 1.00 0.00 C HETATM 26 C20 UNL 1 -5.465 -0.814 0.270 1.00 0.00 C HETATM 27 C21 UNL 1 -5.056 -1.814 1.156 1.00 0.00 C HETATM 28 C22 UNL 1 -5.088 -1.600 2.500 1.00 0.00 C HETATM 29 C23 UNL 1 -5.524 -0.396 3.005 1.00 0.00 C HETATM 30 C24 UNL 1 -5.930 0.595 2.114 1.00 0.00 C HETATM 31 C25 UNL 1 -1.505 0.143 -1.845 1.00 0.00 C HETATM 32 C26 UNL 1 -0.196 -0.285 -1.997 1.00 0.00 C HETATM 33 C27 UNL 1 4.234 -1.703 -0.864 1.00 0.00 C HETATM 34 C28 UNL 1 3.935 -2.515 -1.928 1.00 0.00 C HETATM 35 C29 UNL 1 4.983 -3.092 -2.612 1.00 0.00 C HETATM 36 C30 UNL 1 6.309 -2.861 -2.237 1.00 0.00 C HETATM 37 C31 UNL 1 6.578 -2.044 -1.163 1.00 0.00 C HETATM 38 C32 UNL 1 5.554 -1.452 -0.460 1.00 0.00 C HETATM 39 H1 UNL 1 9.092 -0.012 3.217 1.00 0.00 H HETATM 40 H2 UNL 1 9.168 1.284 1.953 1.00 0.00 H HETATM 41 H3 UNL 1 8.319 1.649 3.470 1.00 0.00 H HETATM 42 H4 UNL 1 5.722 1.311 3.211 1.00 0.00 H HETATM 43 H5 UNL 1 3.415 0.400 2.696 1.00 0.00 H HETATM 44 H6 UNL 1 3.347 1.130 1.074 1.00 0.00 H HETATM 45 H7 UNL 1 1.990 -1.137 1.644 1.00 0.00 H HETATM 46 H8 UNL 1 3.580 -1.860 1.642 1.00 0.00 H HETATM 47 H9 UNL 1 0.927 0.452 1.027 1.00 0.00 H HETATM 48 H10 UNL 1 -1.406 1.162 1.309 1.00 0.00 H HETATM 49 H11 UNL 1 -3.621 1.216 0.558 1.00 0.00 H HETATM 50 H12 UNL 1 -5.576 3.115 -2.954 1.00 0.00 H HETATM 51 H13 UNL 1 -7.815 4.038 -2.665 1.00 0.00 H HETATM 52 H14 UNL 1 -9.151 3.300 -0.765 1.00 0.00 H HETATM 53 H15 UNL 1 -8.212 1.633 0.823 1.00 0.00 H HETATM 54 H16 UNL 1 -5.412 -1.051 -0.798 1.00 0.00 H HETATM 55 H17 UNL 1 -4.714 -2.760 0.743 1.00 0.00 H HETATM 56 H18 UNL 1 -4.766 -2.389 3.194 1.00 0.00 H HETATM 57 H19 UNL 1 -5.546 -0.239 4.070 1.00 0.00 H HETATM 58 H20 UNL 1 -6.268 1.532 2.534 1.00 0.00 H HETATM 59 H21 UNL 1 -2.185 0.038 -2.700 1.00 0.00 H HETATM 60 H22 UNL 1 0.118 -0.697 -2.963 1.00 0.00 H HETATM 61 H23 UNL 1 2.936 -2.722 -2.189 1.00 0.00 H HETATM 62 H24 UNL 1 4.826 -3.734 -3.453 1.00 0.00 H HETATM 63 H25 UNL 1 7.135 -3.321 -2.784 1.00 0.00 H HETATM 64 H26 UNL 1 7.597 -1.856 -0.859 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 3 6 CONECT 3 4 CONECT 4 5 5 38 CONECT 5 6 7 CONECT 6 42 CONECT 7 8 43 44 CONECT 8 9 45 46 CONECT 9 10 33 CONECT 10 11 11 12 CONECT 12 13 13 32 CONECT 13 14 47 CONECT 14 15 15 48 CONECT 15 16 31 CONECT 16 17 49 CONECT 17 18 18 19 CONECT 19 20 20 24 CONECT 20 21 50 CONECT 21 22 22 51 CONECT 22 23 52 CONECT 23 24 24 53 CONECT 24 25 CONECT 25 26 26 30 CONECT 26 27 54 CONECT 27 28 28 55 CONECT 28 29 56 CONECT 29 30 30 57 CONECT 30 58 CONECT 31 32 32 59 CONECT 32 60 CONECT 33 34 34 38 CONECT 34 35 61 CONECT 35 36 36 62 CONECT 36 37 63 CONECT 37 38 38 64 END