COMPND HMDB0030777 HETATM 1 C1 UNL 1 0.345 -4.231 -2.146 1.00 0.00 C HETATM 2 O1 UNL 1 1.685 -4.001 -1.981 1.00 0.00 O HETATM 3 C2 UNL 1 2.342 -2.955 -1.392 1.00 0.00 C HETATM 4 C3 UNL 1 1.662 -1.862 -0.873 1.00 0.00 C HETATM 5 C4 UNL 1 2.259 -0.788 -0.276 1.00 0.00 C HETATM 6 C5 UNL 1 1.587 0.417 0.168 1.00 0.00 C HETATM 7 O2 UNL 1 2.344 1.373 0.692 1.00 0.00 O1+ HETATM 8 C6 UNL 1 1.934 2.527 1.131 1.00 0.00 C HETATM 9 C7 UNL 1 2.834 3.429 1.653 1.00 0.00 C HETATM 10 C8 UNL 1 2.355 4.674 2.127 1.00 0.00 C HETATM 11 O3 UNL 1 3.335 5.542 2.648 1.00 0.00 O HETATM 12 C9 UNL 1 1.042 4.978 2.067 1.00 0.00 C HETATM 13 C10 UNL 1 0.130 4.094 1.549 1.00 0.00 C HETATM 14 O4 UNL 1 -1.205 4.394 1.484 1.00 0.00 O HETATM 15 C11 UNL 1 0.608 2.861 1.083 1.00 0.00 C HETATM 16 C12 UNL 1 -0.233 1.912 0.551 1.00 0.00 C HETATM 17 C13 UNL 1 0.238 0.693 0.096 1.00 0.00 C HETATM 18 O5 UNL 1 -0.610 -0.198 -0.402 1.00 0.00 O HETATM 19 C14 UNL 1 -1.902 -0.308 -0.789 1.00 0.00 C HETATM 20 O6 UNL 1 -2.706 0.503 0.105 1.00 0.00 O HETATM 21 C15 UNL 1 -4.043 0.311 -0.286 1.00 0.00 C HETATM 22 C16 UNL 1 -4.839 1.526 -0.011 1.00 0.00 C HETATM 23 O7 UNL 1 -6.180 1.324 -0.406 1.00 0.00 O HETATM 24 C17 UNL 1 -4.497 -0.898 0.493 1.00 0.00 C HETATM 25 O8 UNL 1 -5.809 -1.205 0.152 1.00 0.00 O HETATM 26 C18 UNL 1 -3.542 -2.011 0.133 1.00 0.00 C HETATM 27 O9 UNL 1 -2.944 -2.579 1.279 1.00 0.00 O HETATM 28 C19 UNL 1 -2.513 -1.647 -0.911 1.00 0.00 C HETATM 29 O10 UNL 1 -3.007 -1.893 -2.191 1.00 0.00 O HETATM 30 C20 UNL 1 3.669 -0.841 -0.202 1.00 0.00 C HETATM 31 C21 UNL 1 4.389 -1.894 -0.697 1.00 0.00 C HETATM 32 O11 UNL 1 5.796 -1.861 -0.580 1.00 0.00 O HETATM 33 C22 UNL 1 6.451 -0.794 0.060 1.00 0.00 C HETATM 34 C23 UNL 1 3.732 -2.942 -1.288 1.00 0.00 C HETATM 35 O12 UNL 1 4.477 -4.010 -1.787 1.00 0.00 O HETATM 36 H1 UNL 1 -0.172 -4.182 -1.164 1.00 0.00 H HETATM 37 H2 UNL 1 -0.187 -3.539 -2.822 1.00 0.00 H HETATM 38 H3 UNL 1 0.186 -5.303 -2.473 1.00 0.00 H HETATM 39 H4 UNL 1 0.598 -1.897 -0.965 1.00 0.00 H HETATM 40 H5 UNL 1 3.860 3.228 1.721 1.00 0.00 H HETATM 41 H6 UNL 1 3.591 5.525 3.609 1.00 0.00 H HETATM 42 H7 UNL 1 0.717 5.958 2.448 1.00 0.00 H HETATM 43 H8 UNL 1 -1.643 5.239 1.778 1.00 0.00 H HETATM 44 H9 UNL 1 -1.300 2.186 0.506 1.00 0.00 H HETATM 45 H10 UNL 1 -2.078 0.280 -1.739 1.00 0.00 H HETATM 46 H11 UNL 1 -4.062 0.013 -1.377 1.00 0.00 H HETATM 47 H12 UNL 1 -4.847 1.745 1.078 1.00 0.00 H HETATM 48 H13 UNL 1 -4.488 2.409 -0.598 1.00 0.00 H HETATM 49 H14 UNL 1 -6.301 1.669 -1.338 1.00 0.00 H HETATM 50 H15 UNL 1 -4.417 -0.670 1.585 1.00 0.00 H HETATM 51 H16 UNL 1 -6.402 -0.803 0.850 1.00 0.00 H HETATM 52 H17 UNL 1 -4.168 -2.838 -0.288 1.00 0.00 H HETATM 53 H18 UNL 1 -3.200 -1.978 2.033 1.00 0.00 H HETATM 54 H19 UNL 1 -1.689 -2.408 -0.777 1.00 0.00 H HETATM 55 H20 UNL 1 -2.727 -2.786 -2.527 1.00 0.00 H HETATM 56 H21 UNL 1 4.179 -0.000 0.284 1.00 0.00 H HETATM 57 H22 UNL 1 7.548 -0.914 -0.098 1.00 0.00 H HETATM 58 H23 UNL 1 6.221 -0.756 1.167 1.00 0.00 H HETATM 59 H24 UNL 1 6.116 0.152 -0.434 1.00 0.00 H HETATM 60 H25 UNL 1 5.481 -3.967 -1.711 1.00 0.00 H CONECT 1 2 36 37 38 CONECT 2 3 CONECT 3 4 4 34 CONECT 4 5 39 CONECT 5 6 30 30 CONECT 6 7 7 17 CONECT 7 8 CONECT 8 9 9 15 CONECT 9 10 40 CONECT 10 11 12 12 CONECT 11 41 CONECT 12 13 42 CONECT 13 14 15 15 CONECT 14 43 CONECT 15 16 CONECT 16 17 17 44 CONECT 17 18 CONECT 18 19 CONECT 19 20 28 45 CONECT 20 21 CONECT 21 22 24 46 CONECT 22 23 47 48 CONECT 23 49 CONECT 24 25 26 50 CONECT 25 51 CONECT 26 27 28 52 CONECT 27 53 CONECT 28 29 54 CONECT 29 55 CONECT 30 31 56 CONECT 31 32 34 34 CONECT 32 33 CONECT 33 57 58 59 CONECT 34 35 CONECT 35 60 END