COMPND HMDB0034725 HETATM 1 O1 UNL 1 3.589 -0.567 -3.498 1.00 0.00 O HETATM 2 C1 UNL 1 3.270 -0.371 -2.298 1.00 0.00 C HETATM 3 C2 UNL 1 4.265 -0.148 -1.346 1.00 0.00 C HETATM 4 O2 UNL 1 5.556 -0.162 -1.812 1.00 0.00 O HETATM 5 C3 UNL 1 3.927 0.066 -0.041 1.00 0.00 C HETATM 6 C4 UNL 1 4.911 0.302 0.990 1.00 0.00 C HETATM 7 C5 UNL 1 6.243 0.338 0.780 1.00 0.00 C HETATM 8 C6 UNL 1 7.161 0.570 1.818 1.00 0.00 C HETATM 9 C7 UNL 1 6.724 0.770 3.092 1.00 0.00 C HETATM 10 O3 UNL 1 7.568 1.003 4.158 1.00 0.00 O HETATM 11 C8 UNL 1 5.357 0.741 3.349 1.00 0.00 C HETATM 12 C9 UNL 1 4.481 0.511 2.312 1.00 0.00 C HETATM 13 O4 UNL 1 2.630 0.060 0.313 1.00 0.00 O HETATM 14 C10 UNL 1 1.664 -0.145 -0.547 1.00 0.00 C HETATM 15 C11 UNL 1 0.355 -0.141 -0.134 1.00 0.00 C HETATM 16 C12 UNL 1 -0.711 -0.357 -1.033 1.00 0.00 C HETATM 17 O5 UNL 1 -1.934 -0.348 -0.617 1.00 0.00 O HETATM 18 C13 UNL 1 -3.192 -0.356 -0.284 1.00 0.00 C HETATM 19 O6 UNL 1 -3.597 0.909 0.167 1.00 0.00 O HETATM 20 C14 UNL 1 -4.923 1.016 0.474 1.00 0.00 C HETATM 21 C15 UNL 1 -5.865 0.891 -0.701 1.00 0.00 C HETATM 22 O7 UNL 1 -5.626 1.873 -1.658 1.00 0.00 O HETATM 23 C16 UNL 1 -5.341 0.122 1.619 1.00 0.00 C HETATM 24 O8 UNL 1 -5.600 0.861 2.768 1.00 0.00 O HETATM 25 C17 UNL 1 -4.271 -0.902 1.934 1.00 0.00 C HETATM 26 O9 UNL 1 -3.373 -0.403 2.881 1.00 0.00 O HETATM 27 C18 UNL 1 -3.614 -1.435 0.710 1.00 0.00 C HETATM 28 O10 UNL 1 -4.434 -2.399 0.136 1.00 0.00 O HETATM 29 C19 UNL 1 -0.413 -0.577 -2.358 1.00 0.00 C HETATM 30 O11 UNL 1 -1.412 -0.802 -3.323 1.00 0.00 O HETATM 31 C20 UNL 1 0.927 -0.579 -2.768 1.00 0.00 C HETATM 32 O12 UNL 1 1.154 -0.802 -4.089 1.00 0.00 O HETATM 33 C21 UNL 1 1.959 -0.368 -1.890 1.00 0.00 C HETATM 34 H1 UNL 1 5.797 -0.323 -2.752 1.00 0.00 H HETATM 35 H2 UNL 1 6.709 0.195 -0.176 1.00 0.00 H HETATM 36 H3 UNL 1 8.225 0.594 1.632 1.00 0.00 H HETATM 37 H4 UNL 1 8.568 1.028 3.993 1.00 0.00 H HETATM 38 H5 UNL 1 4.990 0.897 4.356 1.00 0.00 H HETATM 39 H6 UNL 1 3.433 0.491 2.523 1.00 0.00 H HETATM 40 H7 UNL 1 0.101 0.032 0.908 1.00 0.00 H HETATM 41 H8 UNL 1 -3.851 -0.552 -1.199 1.00 0.00 H HETATM 42 H9 UNL 1 -5.065 2.078 0.839 1.00 0.00 H HETATM 43 H10 UNL 1 -6.888 1.106 -0.299 1.00 0.00 H HETATM 44 H11 UNL 1 -5.820 -0.087 -1.198 1.00 0.00 H HETATM 45 H12 UNL 1 -6.399 1.894 -2.281 1.00 0.00 H HETATM 46 H13 UNL 1 -6.284 -0.376 1.316 1.00 0.00 H HETATM 47 H14 UNL 1 -5.697 1.830 2.601 1.00 0.00 H HETATM 48 H15 UNL 1 -4.792 -1.753 2.429 1.00 0.00 H HETATM 49 H16 UNL 1 -3.339 0.566 2.782 1.00 0.00 H HETATM 50 H17 UNL 1 -2.679 -1.973 1.030 1.00 0.00 H HETATM 51 H18 UNL 1 -3.932 -3.143 -0.281 1.00 0.00 H HETATM 52 H19 UNL 1 -2.364 -0.798 -3.020 1.00 0.00 H HETATM 53 H20 UNL 1 1.850 -0.877 -4.721 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 33 CONECT 3 4 5 5 CONECT 4 34 CONECT 5 6 13 CONECT 6 7 7 12 CONECT 7 8 35 CONECT 8 9 9 36 CONECT 9 10 11 CONECT 10 37 CONECT 11 12 12 38 CONECT 12 39 CONECT 13 14 CONECT 14 15 15 33 CONECT 15 16 40 CONECT 16 17 29 29 CONECT 17 18 CONECT 18 19 27 41 CONECT 19 20 CONECT 20 21 23 42 CONECT 21 22 43 44 CONECT 22 45 CONECT 23 24 25 46 CONECT 24 47 CONECT 25 26 27 48 CONECT 26 49 CONECT 27 28 50 CONECT 28 51 CONECT 29 30 31 CONECT 30 52 CONECT 31 32 33 33 CONECT 32 53 END