COMPND HMDB0030495 HETATM 1 C1 UNL 1 -1.124 4.297 -0.270 1.00 0.00 C HETATM 2 C2 UNL 1 -2.136 3.573 0.140 1.00 0.00 C HETATM 3 C3 UNL 1 -3.461 3.771 -0.515 1.00 0.00 C HETATM 4 C4 UNL 1 -1.939 2.599 1.247 1.00 0.00 C HETATM 5 C5 UNL 1 -0.673 2.856 1.942 1.00 0.00 C HETATM 6 C6 UNL 1 0.443 2.076 1.407 1.00 0.00 C HETATM 7 C7 UNL 1 0.231 0.894 0.755 1.00 0.00 C HETATM 8 O1 UNL 1 1.268 0.149 0.378 1.00 0.00 O HETATM 9 C8 UNL 1 2.492 0.547 0.628 1.00 0.00 C HETATM 10 C9 UNL 1 3.513 -0.304 0.193 1.00 0.00 C HETATM 11 C10 UNL 1 4.817 0.059 0.426 1.00 0.00 C HETATM 12 C11 UNL 1 5.090 1.267 1.090 1.00 0.00 C HETATM 13 C12 UNL 1 4.080 2.096 1.513 1.00 0.00 C HETATM 14 O2 UNL 1 4.363 3.280 2.164 1.00 0.00 O HETATM 15 C13 UNL 1 2.773 1.728 1.278 1.00 0.00 C HETATM 16 C14 UNL 1 1.746 2.534 1.690 1.00 0.00 C HETATM 17 O3 UNL 1 1.927 3.614 2.281 1.00 0.00 O HETATM 18 O4 UNL 1 5.830 -0.762 0.008 1.00 0.00 O HETATM 19 C15 UNL 1 5.655 -1.984 -0.662 1.00 0.00 C HETATM 20 C16 UNL 1 6.423 -1.847 -1.984 1.00 0.00 C HETATM 21 C17 UNL 1 6.396 -3.063 0.113 1.00 0.00 C HETATM 22 C18 UNL 1 4.250 -2.328 -0.887 1.00 0.00 C HETATM 23 C19 UNL 1 3.235 -1.557 -0.496 1.00 0.00 C HETATM 24 C20 UNL 1 -1.143 0.469 0.464 1.00 0.00 C HETATM 25 C21 UNL 1 -2.186 1.211 0.804 1.00 0.00 C HETATM 26 C22 UNL 1 -3.548 0.757 0.650 1.00 0.00 C HETATM 27 O5 UNL 1 -4.571 1.417 0.966 1.00 0.00 O HETATM 28 C23 UNL 1 -3.807 -0.574 0.087 1.00 0.00 C HETATM 29 C24 UNL 1 -2.786 -1.334 -0.274 1.00 0.00 C HETATM 30 C25 UNL 1 -3.029 -2.651 -0.842 1.00 0.00 C HETATM 31 C26 UNL 1 -4.265 -3.088 -0.998 1.00 0.00 C HETATM 32 C27 UNL 1 -5.439 -2.283 -0.614 1.00 0.00 C HETATM 33 C28 UNL 1 -6.336 -2.143 -1.847 1.00 0.00 C HETATM 34 C29 UNL 1 -6.243 -3.132 0.379 1.00 0.00 C HETATM 35 O6 UNL 1 -5.104 -1.041 -0.071 1.00 0.00 O HETATM 36 C30 UNL 1 -1.400 -0.844 -0.098 1.00 0.00 C HETATM 37 O7 UNL 1 -0.473 -1.586 -0.445 1.00 0.00 O HETATM 38 H1 UNL 1 -0.107 4.291 0.079 1.00 0.00 H HETATM 39 H2 UNL 1 -1.294 5.028 -1.086 1.00 0.00 H HETATM 40 H3 UNL 1 -4.183 4.039 0.298 1.00 0.00 H HETATM 41 H4 UNL 1 -3.415 4.691 -1.151 1.00 0.00 H HETATM 42 H5 UNL 1 -3.772 2.951 -1.156 1.00 0.00 H HETATM 43 H6 UNL 1 -2.772 2.817 1.985 1.00 0.00 H HETATM 44 H7 UNL 1 -0.821 2.557 3.033 1.00 0.00 H HETATM 45 H8 UNL 1 -0.421 3.948 1.937 1.00 0.00 H HETATM 46 H9 UNL 1 6.113 1.522 1.257 1.00 0.00 H HETATM 47 H10 UNL 1 5.329 3.548 2.336 1.00 0.00 H HETATM 48 H11 UNL 1 6.064 -0.979 -2.569 1.00 0.00 H HETATM 49 H12 UNL 1 6.445 -2.791 -2.542 1.00 0.00 H HETATM 50 H13 UNL 1 7.478 -1.609 -1.689 1.00 0.00 H HETATM 51 H14 UNL 1 7.477 -3.093 -0.168 1.00 0.00 H HETATM 52 H15 UNL 1 5.976 -4.043 -0.165 1.00 0.00 H HETATM 53 H16 UNL 1 6.339 -2.846 1.186 1.00 0.00 H HETATM 54 H17 UNL 1 4.030 -3.254 -1.397 1.00 0.00 H HETATM 55 H18 UNL 1 2.220 -1.812 -0.662 1.00 0.00 H HETATM 56 H19 UNL 1 -2.166 -3.235 -1.121 1.00 0.00 H HETATM 57 H20 UNL 1 -4.455 -4.068 -1.421 1.00 0.00 H HETATM 58 H21 UNL 1 -7.029 -3.002 -1.936 1.00 0.00 H HETATM 59 H22 UNL 1 -5.708 -2.142 -2.764 1.00 0.00 H HETATM 60 H23 UNL 1 -6.865 -1.173 -1.789 1.00 0.00 H HETATM 61 H24 UNL 1 -7.239 -2.680 0.563 1.00 0.00 H HETATM 62 H25 UNL 1 -5.676 -3.213 1.334 1.00 0.00 H HETATM 63 H26 UNL 1 -6.413 -4.123 -0.088 1.00 0.00 H CONECT 1 2 2 38 39 CONECT 2 3 4 CONECT 3 40 41 42 CONECT 4 5 25 43 CONECT 5 6 44 45 CONECT 6 7 7 16 CONECT 7 8 24 CONECT 8 9 CONECT 9 10 10 15 CONECT 10 11 23 CONECT 11 12 12 18 CONECT 12 13 46 CONECT 13 14 15 15 CONECT 14 47 CONECT 15 16 CONECT 16 17 17 CONECT 18 19 CONECT 19 20 21 22 CONECT 20 48 49 50 CONECT 21 51 52 53 CONECT 22 23 23 54 CONECT 23 55 CONECT 24 25 25 36 CONECT 25 26 CONECT 26 27 27 28 CONECT 28 29 29 35 CONECT 29 30 36 CONECT 30 31 31 56 CONECT 31 32 57 CONECT 32 33 34 35 CONECT 33 58 59 60 CONECT 34 61 62 63 CONECT 36 37 37 END