COMPND HMDB0033038 HETATM 1 O1 UNL 1 -0.508 0.629 -1.288 1.00 0.00 O HETATM 2 C1 UNL 1 -0.910 -0.331 -0.547 1.00 0.00 C HETATM 3 O2 UNL 1 -2.250 -0.409 -0.370 1.00 0.00 O HETATM 4 C2 UNL 1 -3.278 0.376 -0.856 1.00 0.00 C HETATM 5 C3 UNL 1 -4.092 -0.395 -1.919 1.00 0.00 C HETATM 6 C4 UNL 1 -5.125 -1.234 -1.266 1.00 0.00 C HETATM 7 C5 UNL 1 -5.670 -2.280 -2.003 1.00 0.00 C HETATM 8 C6 UNL 1 -6.651 -3.117 -1.440 1.00 0.00 C HETATM 9 O3 UNL 1 -7.168 -4.138 -2.189 1.00 0.00 O HETATM 10 C7 UNL 1 -7.077 -2.907 -0.159 1.00 0.00 C HETATM 11 O4 UNL 1 -8.030 -3.692 0.440 1.00 0.00 O HETATM 12 C8 UNL 1 -6.527 -1.856 0.577 1.00 0.00 C HETATM 13 C9 UNL 1 -5.570 -1.048 0.015 1.00 0.00 C HETATM 14 O5 UNL 1 -5.042 -0.017 0.763 1.00 0.00 O HETATM 15 C10 UNL 1 -4.268 0.948 0.068 1.00 0.00 C HETATM 16 C11 UNL 1 -3.856 2.020 0.971 1.00 0.00 C HETATM 17 C12 UNL 1 -2.614 2.600 1.066 1.00 0.00 C HETATM 18 C13 UNL 1 -2.351 3.625 1.969 1.00 0.00 C HETATM 19 C14 UNL 1 -3.324 4.115 2.815 1.00 0.00 C HETATM 20 O6 UNL 1 -3.023 5.132 3.695 1.00 0.00 O HETATM 21 C15 UNL 1 -4.580 3.537 2.728 1.00 0.00 C HETATM 22 O7 UNL 1 -5.582 4.021 3.578 1.00 0.00 O HETATM 23 C16 UNL 1 -4.814 2.532 1.835 1.00 0.00 C HETATM 24 C17 UNL 1 0.105 -1.204 -0.001 1.00 0.00 C HETATM 25 C18 UNL 1 -0.387 -2.245 0.769 1.00 0.00 C HETATM 26 C19 UNL 1 0.209 -3.436 1.136 1.00 0.00 C HETATM 27 O8 UNL 1 -0.595 -4.292 1.872 1.00 0.00 O HETATM 28 C20 UNL 1 1.480 -3.824 0.843 1.00 0.00 C HETATM 29 O9 UNL 1 1.772 -4.968 1.261 1.00 0.00 O HETATM 30 C21 UNL 1 2.476 -3.151 0.163 1.00 0.00 C HETATM 31 C22 UNL 1 3.574 -3.948 0.021 1.00 0.00 C HETATM 32 O10 UNL 1 3.596 -5.247 0.520 1.00 0.00 O HETATM 33 C23 UNL 1 4.668 -3.436 -0.632 1.00 0.00 C HETATM 34 O11 UNL 1 5.790 -4.262 -0.772 1.00 0.00 O HETATM 35 C24 UNL 1 4.641 -2.158 -1.120 1.00 0.00 C HETATM 36 C25 UNL 1 3.550 -1.301 -1.003 1.00 0.00 C HETATM 37 C26 UNL 1 3.616 0.068 -1.548 1.00 0.00 C HETATM 38 O12 UNL 1 3.777 0.887 -0.384 1.00 0.00 O HETATM 39 C27 UNL 1 4.610 1.952 -0.238 1.00 0.00 C HETATM 40 C28 UNL 1 4.912 2.528 0.976 1.00 0.00 C HETATM 41 C29 UNL 1 5.754 3.605 1.102 1.00 0.00 C HETATM 42 O13 UNL 1 6.057 4.188 2.347 1.00 0.00 O HETATM 43 C30 UNL 1 6.321 4.129 -0.038 1.00 0.00 C HETATM 44 C31 UNL 1 6.023 3.551 -1.285 1.00 0.00 C HETATM 45 O14 UNL 1 6.627 4.135 -2.373 1.00 0.00 O HETATM 46 C32 UNL 1 5.185 2.483 -1.382 1.00 0.00 C HETATM 47 C33 UNL 1 4.867 1.832 -2.667 1.00 0.00 C HETATM 48 C34 UNL 1 4.873 0.320 -2.341 1.00 0.00 C HETATM 49 O15 UNL 1 5.103 -0.441 -3.430 1.00 0.00 O HETATM 50 C35 UNL 1 2.467 -1.838 -0.346 1.00 0.00 C HETATM 51 C36 UNL 1 1.426 -0.939 -0.281 1.00 0.00 C HETATM 52 H1 UNL 1 -2.832 1.194 -1.450 1.00 0.00 H HETATM 53 H2 UNL 1 -4.606 0.299 -2.603 1.00 0.00 H HETATM 54 H3 UNL 1 -3.349 -0.962 -2.502 1.00 0.00 H HETATM 55 H4 UNL 1 -5.346 -2.462 -3.016 1.00 0.00 H HETATM 56 H5 UNL 1 -7.859 -4.764 -1.853 1.00 0.00 H HETATM 57 H6 UNL 1 -8.479 -4.467 -0.005 1.00 0.00 H HETATM 58 H7 UNL 1 -6.858 -1.681 1.600 1.00 0.00 H HETATM 59 H8 UNL 1 -5.054 1.434 -0.612 1.00 0.00 H HETATM 60 H9 UNL 1 -1.857 2.222 0.402 1.00 0.00 H HETATM 61 H10 UNL 1 -1.365 4.064 2.023 1.00 0.00 H HETATM 62 H11 UNL 1 -3.636 5.573 4.347 1.00 0.00 H HETATM 63 H12 UNL 1 -5.469 4.747 4.243 1.00 0.00 H HETATM 64 H13 UNL 1 -5.820 2.101 1.795 1.00 0.00 H HETATM 65 H14 UNL 1 -1.369 -2.112 1.133 1.00 0.00 H HETATM 66 H15 UNL 1 -1.544 -4.036 2.109 1.00 0.00 H HETATM 67 H16 UNL 1 4.421 -5.814 0.401 1.00 0.00 H HETATM 68 H17 UNL 1 6.581 -3.870 -1.254 1.00 0.00 H HETATM 69 H18 UNL 1 5.531 -1.814 -1.621 1.00 0.00 H HETATM 70 H19 UNL 1 2.727 0.502 -1.985 1.00 0.00 H HETATM 71 H20 UNL 1 4.463 2.110 1.882 1.00 0.00 H HETATM 72 H21 UNL 1 6.855 3.828 2.856 1.00 0.00 H HETATM 73 H22 UNL 1 6.991 4.981 0.018 1.00 0.00 H HETATM 74 H23 UNL 1 6.453 3.776 -3.290 1.00 0.00 H HETATM 75 H24 UNL 1 5.570 2.016 -3.482 1.00 0.00 H HETATM 76 H25 UNL 1 3.836 2.065 -3.013 1.00 0.00 H HETATM 77 H26 UNL 1 5.720 0.196 -1.632 1.00 0.00 H HETATM 78 H27 UNL 1 4.417 -0.278 -4.124 1.00 0.00 H HETATM 79 H28 UNL 1 1.692 0.051 -0.468 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 24 CONECT 3 4 CONECT 4 5 15 52 CONECT 5 6 53 54 CONECT 6 7 7 13 CONECT 7 8 55 CONECT 8 9 10 10 CONECT 9 56 CONECT 10 11 12 CONECT 11 57 CONECT 12 13 13 58 CONECT 13 14 CONECT 14 15 CONECT 15 16 59 CONECT 16 17 17 23 CONECT 17 18 60 CONECT 18 19 19 61 CONECT 19 20 21 CONECT 20 62 CONECT 21 22 23 23 CONECT 22 63 CONECT 23 64 CONECT 24 25 51 51 CONECT 25 26 26 65 CONECT 26 27 28 CONECT 27 66 CONECT 28 29 29 30 CONECT 30 31 31 50 CONECT 31 32 33 CONECT 32 67 CONECT 33 34 35 35 CONECT 34 68 CONECT 35 36 69 CONECT 36 37 50 50 CONECT 37 38 48 70 CONECT 38 39 CONECT 39 40 40 46 CONECT 40 41 71 CONECT 41 42 43 43 CONECT 42 72 CONECT 43 44 73 CONECT 44 45 46 46 CONECT 45 74 CONECT 46 47 CONECT 47 48 75 76 CONECT 48 49 77 CONECT 49 78 CONECT 50 51 CONECT 51 79 END