COMPND HMDB0039857 HETATM 1 C1 UNL 1 6.988 -1.111 1.180 1.00 0.00 C HETATM 2 O1 UNL 1 5.624 -1.042 0.948 1.00 0.00 O HETATM 3 C2 UNL 1 4.882 -0.210 0.335 1.00 0.00 C HETATM 4 C3 UNL 1 5.505 1.021 -0.309 1.00 0.00 C HETATM 5 C4 UNL 1 4.488 1.758 -0.909 1.00 0.00 C HETATM 6 C5 UNL 1 3.121 1.715 -1.093 1.00 0.00 C HETATM 7 C6 UNL 1 2.503 0.329 -0.355 1.00 0.00 C HETATM 8 C7 UNL 1 3.571 0.105 -0.056 1.00 0.00 C HETATM 9 O2 UNL 1 3.234 -1.407 0.759 1.00 0.00 O HETATM 10 C8 UNL 1 2.156 -2.164 0.420 1.00 0.00 C HETATM 11 C9 UNL 1 1.546 -2.421 -0.760 1.00 0.00 C HETATM 12 C10 UNL 1 0.409 -3.255 -0.923 1.00 0.00 C HETATM 13 C11 UNL 1 -0.178 -3.895 0.164 1.00 0.00 C HETATM 14 C12 UNL 1 0.434 -3.639 1.379 1.00 0.00 C HETATM 15 C13 UNL 1 1.533 -2.827 1.516 1.00 0.00 C HETATM 16 C14 UNL 1 -1.352 -4.828 0.021 1.00 0.00 C HETATM 17 C15 UNL 1 -2.608 -4.428 0.299 1.00 0.00 C HETATM 18 C16 UNL 1 -2.959 -3.238 1.064 1.00 0.00 C HETATM 19 O3 UNL 1 -3.542 -3.413 2.362 1.00 0.00 O HETATM 20 N1 UNL 1 -2.766 -2.043 0.619 1.00 0.00 N HETATM 21 C17 UNL 1 -3.449 -1.390 -0.461 1.00 0.00 C HETATM 22 C18 UNL 1 -4.452 -0.417 0.160 1.00 0.00 C HETATM 23 C19 UNL 1 -5.156 0.432 -0.828 1.00 0.00 C HETATM 24 N2 UNL 1 -4.681 1.750 -1.033 1.00 0.00 N HETATM 25 C20 UNL 1 -4.026 2.373 0.119 1.00 0.00 C HETATM 26 C21 UNL 1 -2.567 2.250 -0.111 1.00 0.00 C HETATM 27 C22 UNL 1 -1.672 3.048 0.821 1.00 0.00 C HETATM 28 C23 UNL 1 -0.295 2.442 0.668 1.00 0.00 C HETATM 29 N3 UNL 1 0.787 3.370 0.691 1.00 0.00 N HETATM 30 C24 UNL 1 1.222 4.076 -0.314 1.00 0.00 C HETATM 31 O4 UNL 1 1.374 5.454 0.053 1.00 0.00 O HETATM 32 C25 UNL 1 1.524 3.593 -1.641 1.00 0.00 C HETATM 33 C26 UNL 1 2.508 2.669 -1.847 1.00 0.00 C HETATM 34 H1 UNL 1 7.351 -2.138 1.178 1.00 0.00 H HETATM 35 H2 UNL 1 7.495 -0.576 0.311 1.00 0.00 H HETATM 36 H3 UNL 1 7.299 -0.541 2.099 1.00 0.00 H HETATM 37 H4 UNL 1 6.506 1.188 -0.251 1.00 0.00 H HETATM 38 H5 UNL 1 5.027 2.690 -1.412 1.00 0.00 H HETATM 39 H6 UNL 1 1.442 0.521 -0.632 1.00 0.00 H HETATM 40 H7 UNL 1 1.839 -2.061 -1.802 1.00 0.00 H HETATM 41 H8 UNL 1 0.114 -3.221 -2.017 1.00 0.00 H HETATM 42 H9 UNL 1 0.154 -4.018 2.438 1.00 0.00 H HETATM 43 H10 UNL 1 1.887 -2.749 2.579 1.00 0.00 H HETATM 44 H11 UNL 1 -1.372 -5.923 -0.310 1.00 0.00 H HETATM 45 H12 UNL 1 -3.467 -5.044 -0.056 1.00 0.00 H HETATM 46 H13 UNL 1 -4.333 -4.004 2.382 1.00 0.00 H HETATM 47 H14 UNL 1 -2.730 -0.819 -1.061 1.00 0.00 H HETATM 48 H15 UNL 1 -3.962 -2.102 -1.144 1.00 0.00 H HETATM 49 H16 UNL 1 -5.257 -1.078 0.645 1.00 0.00 H HETATM 50 H17 UNL 1 -3.951 0.095 0.983 1.00 0.00 H HETATM 51 H18 UNL 1 -6.234 0.508 -0.537 1.00 0.00 H HETATM 52 H19 UNL 1 -5.105 -0.109 -1.813 1.00 0.00 H HETATM 53 H20 UNL 1 -4.017 1.722 -1.859 1.00 0.00 H HETATM 54 H21 UNL 1 -4.286 3.456 0.011 1.00 0.00 H HETATM 55 H22 UNL 1 -4.395 2.034 1.084 1.00 0.00 H HETATM 56 H23 UNL 1 -2.173 1.212 -0.061 1.00 0.00 H HETATM 57 H24 UNL 1 -2.348 2.636 -1.155 1.00 0.00 H HETATM 58 H25 UNL 1 -1.997 2.900 1.871 1.00 0.00 H HETATM 59 H26 UNL 1 -1.696 4.129 0.582 1.00 0.00 H HETATM 60 H27 UNL 1 -0.187 1.691 1.448 1.00 0.00 H HETATM 61 H28 UNL 1 -0.316 1.917 -0.328 1.00 0.00 H HETATM 62 H29 UNL 1 1.179 6.166 -0.670 1.00 0.00 H HETATM 63 H30 UNL 1 0.938 3.990 -2.474 1.00 0.00 H HETATM 64 H31 UNL 1 2.884 2.866 -2.971 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 37 CONECT 5 6 6 38 CONECT 6 7 33 CONECT 7 8 8 39 CONECT 8 9 CONECT 9 10 CONECT 10 11 11 15 CONECT 11 12 40 CONECT 12 13 13 41 CONECT 13 14 16 CONECT 14 15 15 42 CONECT 15 43 CONECT 16 17 17 44 CONECT 17 18 45 CONECT 18 19 20 20 CONECT 19 46 CONECT 20 21 CONECT 21 22 47 48 CONECT 22 23 49 50 CONECT 23 24 51 52 CONECT 24 25 53 CONECT 25 26 54 55 CONECT 26 27 56 57 CONECT 27 28 58 59 CONECT 28 29 60 61 CONECT 29 30 30 CONECT 30 31 32 CONECT 31 62 CONECT 32 33 33 63 CONECT 33 64 END