COMPND HMDB0030093 HETATM 1 O1 UNL 1 3.191 -2.994 1.537 1.00 0.00 O HETATM 2 C1 UNL 1 3.274 -1.899 0.923 1.00 0.00 C HETATM 3 C2 UNL 1 4.383 -1.698 -0.033 1.00 0.00 C HETATM 4 C3 UNL 1 4.530 -0.582 -0.707 1.00 0.00 C HETATM 5 C4 UNL 1 5.597 -0.319 -1.663 1.00 0.00 C HETATM 6 C5 UNL 1 6.585 -1.227 -1.969 1.00 0.00 C HETATM 7 C6 UNL 1 7.599 -0.958 -2.887 1.00 0.00 C HETATM 8 C7 UNL 1 7.622 0.252 -3.513 1.00 0.00 C HETATM 9 O2 UNL 1 8.639 0.502 -4.423 1.00 0.00 O HETATM 10 C8 UNL 1 6.659 1.192 -3.242 1.00 0.00 C HETATM 11 O3 UNL 1 6.710 2.419 -3.898 1.00 0.00 O HETATM 12 C9 UNL 1 5.669 0.894 -2.328 1.00 0.00 C HETATM 13 O4 UNL 1 2.329 -0.946 1.174 1.00 0.00 O HETATM 14 C10 UNL 1 1.276 -1.193 2.110 1.00 0.00 C HETATM 15 C11 UNL 1 -0.012 -1.062 1.363 1.00 0.00 C HETATM 16 C12 UNL 1 -1.205 -0.741 2.215 1.00 0.00 C HETATM 17 O5 UNL 1 -2.288 -0.405 1.371 1.00 0.00 O HETATM 18 C13 UNL 1 -2.847 -1.227 0.431 1.00 0.00 C HETATM 19 O6 UNL 1 -2.411 -2.383 0.257 1.00 0.00 O HETATM 20 C14 UNL 1 -3.982 -0.798 -0.417 1.00 0.00 C HETATM 21 C15 UNL 1 -4.490 0.409 -0.284 1.00 0.00 C HETATM 22 C16 UNL 1 -5.607 0.890 -1.089 1.00 0.00 C HETATM 23 C17 UNL 1 -6.080 2.187 -0.877 1.00 0.00 C HETATM 24 C18 UNL 1 -7.125 2.709 -1.593 1.00 0.00 C HETATM 25 C19 UNL 1 -7.741 1.944 -2.559 1.00 0.00 C HETATM 26 O7 UNL 1 -8.806 2.432 -3.311 1.00 0.00 O HETATM 27 C20 UNL 1 -7.292 0.656 -2.789 1.00 0.00 C HETATM 28 O8 UNL 1 -7.922 -0.103 -3.764 1.00 0.00 O HETATM 29 C21 UNL 1 -6.231 0.143 -2.052 1.00 0.00 C HETATM 30 C22 UNL 1 -1.651 -1.941 3.001 1.00 0.00 C HETATM 31 O9 UNL 1 -0.843 -2.430 3.833 1.00 0.00 O HETATM 32 O10 UNL 1 -2.901 -2.519 2.844 1.00 0.00 O HETATM 33 C23 UNL 1 -0.927 0.426 3.121 1.00 0.00 C HETATM 34 C24 UNL 1 0.480 0.969 2.910 1.00 0.00 C HETATM 35 O11 UNL 1 0.721 2.081 3.678 1.00 0.00 O HETATM 36 C25 UNL 1 1.425 -0.176 3.217 1.00 0.00 C HETATM 37 O12 UNL 1 2.742 0.274 3.247 1.00 0.00 O HETATM 38 H1 UNL 1 5.101 -2.486 -0.192 1.00 0.00 H HETATM 39 H2 UNL 1 3.797 0.190 -0.529 1.00 0.00 H HETATM 40 H3 UNL 1 6.609 -2.181 -1.508 1.00 0.00 H HETATM 41 H4 UNL 1 8.369 -1.716 -3.099 1.00 0.00 H HETATM 42 H5 UNL 1 8.756 1.350 -4.940 1.00 0.00 H HETATM 43 H6 UNL 1 6.036 3.150 -3.746 1.00 0.00 H HETATM 44 H7 UNL 1 4.906 1.640 -2.114 1.00 0.00 H HETATM 45 H8 UNL 1 1.386 -2.225 2.544 1.00 0.00 H HETATM 46 H9 UNL 1 -0.192 -1.988 0.776 1.00 0.00 H HETATM 47 H10 UNL 1 0.056 -0.249 0.582 1.00 0.00 H HETATM 48 H11 UNL 1 -4.395 -1.475 -1.146 1.00 0.00 H HETATM 49 H12 UNL 1 -4.026 1.043 0.473 1.00 0.00 H HETATM 50 H13 UNL 1 -5.600 2.804 -0.114 1.00 0.00 H HETATM 51 H14 UNL 1 -7.485 3.722 -1.420 1.00 0.00 H HETATM 52 H15 UNL 1 -9.115 3.368 -3.128 1.00 0.00 H HETATM 53 H16 UNL 1 -7.589 -1.043 -3.927 1.00 0.00 H HETATM 54 H17 UNL 1 -5.902 -0.884 -2.263 1.00 0.00 H HETATM 55 H18 UNL 1 -3.725 -2.184 3.298 1.00 0.00 H HETATM 56 H19 UNL 1 -0.985 0.146 4.197 1.00 0.00 H HETATM 57 H20 UNL 1 -1.642 1.244 2.922 1.00 0.00 H HETATM 58 H21 UNL 1 0.638 1.240 1.846 1.00 0.00 H HETATM 59 H22 UNL 1 1.385 2.688 3.263 1.00 0.00 H HETATM 60 H23 UNL 1 1.226 -0.615 4.217 1.00 0.00 H HETATM 61 H24 UNL 1 3.323 -0.313 3.794 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 13 CONECT 3 4 4 38 CONECT 4 5 39 CONECT 5 6 6 12 CONECT 6 7 40 CONECT 7 8 8 41 CONECT 8 9 10 CONECT 9 42 CONECT 10 11 12 12 CONECT 11 43 CONECT 12 44 CONECT 13 14 CONECT 14 15 36 45 CONECT 15 16 46 47 CONECT 16 17 30 33 CONECT 17 18 CONECT 18 19 19 20 CONECT 20 21 21 48 CONECT 21 22 49 CONECT 22 23 23 29 CONECT 23 24 50 CONECT 24 25 25 51 CONECT 25 26 27 CONECT 26 52 CONECT 27 28 29 29 CONECT 28 53 CONECT 29 54 CONECT 30 31 31 32 CONECT 32 55 CONECT 33 34 56 57 CONECT 34 35 36 58 CONECT 35 59 CONECT 36 37 60 CONECT 37 61 END