COMPND HMDB0014911 HETATM 1 C1 UNL 1 -5.301 -3.577 0.070 1.00 0.00 C HETATM 2 O1 UNL 1 -5.899 -2.396 0.516 1.00 0.00 O HETATM 3 C2 UNL 1 -5.231 -1.199 0.726 1.00 0.00 C HETATM 4 C3 UNL 1 -3.851 -1.071 0.500 1.00 0.00 C HETATM 5 C4 UNL 1 -3.201 0.114 0.709 1.00 0.00 C HETATM 6 C5 UNL 1 -1.764 0.243 0.472 1.00 0.00 C HETATM 7 C6 UNL 1 -1.408 0.609 -0.928 1.00 0.00 C HETATM 8 C7 UNL 1 -2.186 1.580 -1.541 1.00 0.00 C HETATM 9 C8 UNL 1 -1.962 2.018 -2.830 1.00 0.00 C HETATM 10 C9 UNL 1 -0.905 1.442 -3.512 1.00 0.00 C HETATM 11 C10 UNL 1 -0.133 0.483 -2.911 1.00 0.00 C HETATM 12 C11 UNL 1 -0.377 0.066 -1.630 1.00 0.00 C HETATM 13 C12 UNL 1 0.515 -1.002 -1.044 1.00 0.00 C HETATM 14 O2 UNL 1 1.540 -0.390 -0.378 1.00 0.00 O HETATM 15 C13 UNL 1 2.817 -0.767 -0.838 1.00 0.00 C HETATM 16 O3 UNL 1 3.472 -1.468 0.137 1.00 0.00 O HETATM 17 C14 UNL 1 4.656 -0.911 0.539 1.00 0.00 C HETATM 18 C15 UNL 1 5.155 -1.505 1.835 1.00 0.00 C HETATM 19 O4 UNL 1 6.369 -0.891 2.101 1.00 0.00 O HETATM 20 C16 UNL 1 6.368 0.458 2.095 1.00 0.00 C HETATM 21 C17 UNL 1 7.573 0.923 1.264 1.00 0.00 C HETATM 22 O5 UNL 1 5.285 1.124 1.676 1.00 0.00 O HETATM 23 C18 UNL 1 4.426 0.556 0.811 1.00 0.00 C HETATM 24 C19 UNL 1 4.337 1.231 -0.547 1.00 0.00 C HETATM 25 O6 UNL 1 3.830 2.525 -0.444 1.00 0.00 O HETATM 26 C20 UNL 1 3.554 0.361 -1.465 1.00 0.00 C HETATM 27 O7 UNL 1 4.331 -0.097 -2.553 1.00 0.00 O HETATM 28 C21 UNL 1 -0.421 -1.798 -0.174 1.00 0.00 C HETATM 29 C22 UNL 1 0.198 -2.872 0.641 1.00 0.00 C HETATM 30 O8 UNL 1 -0.771 -3.023 1.694 1.00 0.00 O HETATM 31 C23 UNL 1 -1.458 -1.819 1.876 1.00 0.00 C HETATM 32 O9 UNL 1 -2.378 -1.699 2.723 1.00 0.00 O HETATM 33 C24 UNL 1 -0.893 -0.851 0.938 1.00 0.00 C HETATM 34 O10 UNL 1 -0.865 2.032 -4.783 1.00 0.00 O HETATM 35 C25 UNL 1 -2.178 2.556 -5.009 1.00 0.00 C HETATM 36 O11 UNL 1 -2.541 2.940 -3.694 1.00 0.00 O HETATM 37 C26 UNL 1 -3.980 1.178 1.157 1.00 0.00 C HETATM 38 C27 UNL 1 -5.327 1.083 1.386 1.00 0.00 C HETATM 39 O12 UNL 1 -6.075 2.156 1.831 1.00 0.00 O HETATM 40 C28 UNL 1 -5.504 3.428 2.081 1.00 0.00 C HETATM 41 C29 UNL 1 -5.959 -0.122 1.167 1.00 0.00 C HETATM 42 O13 UNL 1 -7.327 -0.202 1.405 1.00 0.00 O HETATM 43 H1 UNL 1 -4.315 -3.787 0.483 1.00 0.00 H HETATM 44 H2 UNL 1 -5.246 -3.571 -1.049 1.00 0.00 H HETATM 45 H3 UNL 1 -6.026 -4.410 0.305 1.00 0.00 H HETATM 46 H4 UNL 1 -3.378 -1.974 0.157 1.00 0.00 H HETATM 47 H5 UNL 1 -1.434 1.171 1.064 1.00 0.00 H HETATM 48 H6 UNL 1 -3.022 2.032 -0.997 1.00 0.00 H HETATM 49 H7 UNL 1 0.697 0.057 -3.498 1.00 0.00 H HETATM 50 H8 UNL 1 0.909 -1.678 -1.820 1.00 0.00 H HETATM 51 H9 UNL 1 2.605 -1.507 -1.669 1.00 0.00 H HETATM 52 H10 UNL 1 5.463 -1.021 -0.202 1.00 0.00 H HETATM 53 H11 UNL 1 4.492 -1.314 2.687 1.00 0.00 H HETATM 54 H12 UNL 1 5.351 -2.587 1.689 1.00 0.00 H HETATM 55 H13 UNL 1 6.615 0.803 3.144 1.00 0.00 H HETATM 56 H14 UNL 1 7.514 2.041 1.254 1.00 0.00 H HETATM 57 H15 UNL 1 8.469 0.669 1.872 1.00 0.00 H HETATM 58 H16 UNL 1 7.567 0.478 0.266 1.00 0.00 H HETATM 59 H17 UNL 1 3.385 0.633 1.245 1.00 0.00 H HETATM 60 H18 UNL 1 5.394 1.267 -0.940 1.00 0.00 H HETATM 61 H19 UNL 1 3.401 2.753 -1.307 1.00 0.00 H HETATM 62 H20 UNL 1 2.778 1.023 -1.953 1.00 0.00 H HETATM 63 H21 UNL 1 4.312 -1.075 -2.535 1.00 0.00 H HETATM 64 H22 UNL 1 -1.245 -2.121 -0.803 1.00 0.00 H HETATM 65 H23 UNL 1 0.340 -3.823 0.101 1.00 0.00 H HETATM 66 H24 UNL 1 1.110 -2.507 1.113 1.00 0.00 H HETATM 67 H25 UNL 1 0.031 -0.441 1.426 1.00 0.00 H HETATM 68 H26 UNL 1 -2.799 1.699 -5.296 1.00 0.00 H HETATM 69 H27 UNL 1 -2.184 3.385 -5.719 1.00 0.00 H HETATM 70 H28 UNL 1 -3.523 2.149 1.343 1.00 0.00 H HETATM 71 H29 UNL 1 -5.028 3.860 1.179 1.00 0.00 H HETATM 72 H30 UNL 1 -6.251 4.130 2.490 1.00 0.00 H HETATM 73 H31 UNL 1 -4.735 3.303 2.888 1.00 0.00 H HETATM 74 H32 UNL 1 -7.778 -1.083 1.243 1.00 0.00 H CONECT 1 2 43 44 45 CONECT 2 3 CONECT 3 4 4 41 CONECT 4 5 46 CONECT 5 6 37 37 CONECT 6 7 33 47 CONECT 7 8 8 12 CONECT 8 9 48 CONECT 9 10 10 36 CONECT 10 11 34 CONECT 11 12 12 49 CONECT 12 13 CONECT 13 14 28 50 CONECT 14 15 CONECT 15 16 26 51 CONECT 16 17 CONECT 17 18 23 52 CONECT 18 19 53 54 CONECT 19 20 CONECT 20 21 22 55 CONECT 21 56 57 58 CONECT 22 23 CONECT 23 24 59 CONECT 24 25 26 60 CONECT 25 61 CONECT 26 27 62 CONECT 27 63 CONECT 28 29 33 64 CONECT 29 30 65 66 CONECT 30 31 CONECT 31 32 32 33 CONECT 33 67 CONECT 34 35 CONECT 35 36 68 69 CONECT 37 38 70 CONECT 38 39 41 41 CONECT 39 40 CONECT 40 71 72 73 CONECT 41 42 CONECT 42 74 END