COMPND HMDB0266529 HETATM 1 C1 UNL 1 -8.540 2.788 1.715 1.00 0.00 C HETATM 2 C2 UNL 1 -7.201 2.581 1.066 1.00 0.00 C HETATM 3 C3 UNL 1 -6.311 1.765 1.975 1.00 0.00 C HETATM 4 C4 UNL 1 -4.955 1.553 1.319 1.00 0.00 C HETATM 5 C5 UNL 1 -4.058 0.733 2.231 1.00 0.00 C HETATM 6 C6 UNL 1 -2.701 0.509 1.604 1.00 0.00 C HETATM 7 O1 UNL 1 -1.962 -0.255 2.529 1.00 0.00 O HETATM 8 C7 UNL 1 -2.906 -0.224 0.329 1.00 0.00 C HETATM 9 C8 UNL 1 -2.051 -0.169 -0.697 1.00 0.00 C HETATM 10 C9 UNL 1 -2.244 -0.887 -1.960 1.00 0.00 C HETATM 11 C10 UNL 1 -1.131 -1.827 -2.336 1.00 0.00 C HETATM 12 C11 UNL 1 0.235 -1.125 -2.322 1.00 0.00 C HETATM 13 C12 UNL 1 1.246 -2.118 -2.684 1.00 0.00 C HETATM 14 C13 UNL 1 2.237 -2.459 -1.899 1.00 0.00 C HETATM 15 C14 UNL 1 2.425 -1.867 -0.565 1.00 0.00 C HETATM 16 C15 UNL 1 3.763 -1.185 -0.555 1.00 0.00 C HETATM 17 O2 UNL 1 4.477 -1.201 -1.566 1.00 0.00 O HETATM 18 O3 UNL 1 4.231 -0.523 0.579 1.00 0.00 O HETATM 19 C16 UNL 1 5.483 0.127 0.621 1.00 0.00 C HETATM 20 C17 UNL 1 6.275 -0.551 1.743 1.00 0.00 C HETATM 21 O4 UNL 1 6.404 -1.924 1.416 1.00 0.00 O HETATM 22 C18 UNL 1 7.079 -2.782 2.261 1.00 0.00 C HETATM 23 C19 UNL 1 7.218 -4.220 1.927 1.00 0.00 C HETATM 24 O5 UNL 1 7.568 -2.296 3.318 1.00 0.00 O HETATM 25 C20 UNL 1 5.333 1.582 1.046 1.00 0.00 C HETATM 26 O6 UNL 1 4.511 2.273 0.141 1.00 0.00 O HETATM 27 P1 UNL 1 4.342 3.887 0.607 1.00 0.00 P HETATM 28 O7 UNL 1 4.368 4.746 -0.638 1.00 0.00 O HETATM 29 O8 UNL 1 2.882 4.139 1.433 1.00 0.00 O HETATM 30 O9 UNL 1 5.603 4.304 1.668 1.00 0.00 O HETATM 31 C21 UNL 1 -1.522 -2.192 -3.749 1.00 0.00 C HETATM 32 O10 UNL 1 -2.455 -3.230 -3.647 1.00 0.00 O HETATM 33 C22 UNL 1 -2.217 -0.949 -4.308 1.00 0.00 C HETATM 34 C23 UNL 1 -2.319 0.024 -3.162 1.00 0.00 C HETATM 35 O11 UNL 1 -3.528 0.723 -3.181 1.00 0.00 O HETATM 36 H1 UNL 1 -9.354 2.808 0.966 1.00 0.00 H HETATM 37 H2 UNL 1 -8.571 3.718 2.296 1.00 0.00 H HETATM 38 H3 UNL 1 -8.721 1.926 2.403 1.00 0.00 H HETATM 39 H4 UNL 1 -7.290 2.093 0.074 1.00 0.00 H HETATM 40 H5 UNL 1 -6.673 3.546 0.891 1.00 0.00 H HETATM 41 H6 UNL 1 -6.803 0.809 2.214 1.00 0.00 H HETATM 42 H7 UNL 1 -6.152 2.290 2.936 1.00 0.00 H HETATM 43 H8 UNL 1 -5.159 1.025 0.367 1.00 0.00 H HETATM 44 H9 UNL 1 -4.494 2.533 1.116 1.00 0.00 H HETATM 45 H10 UNL 1 -4.540 -0.272 2.339 1.00 0.00 H HETATM 46 H11 UNL 1 -4.020 1.177 3.230 1.00 0.00 H HETATM 47 H12 UNL 1 -2.174 1.475 1.437 1.00 0.00 H HETATM 48 H13 UNL 1 -2.558 -0.808 3.098 1.00 0.00 H HETATM 49 H14 UNL 1 -3.787 -0.834 0.220 1.00 0.00 H HETATM 50 H15 UNL 1 -1.183 0.458 -0.541 1.00 0.00 H HETATM 51 H16 UNL 1 -3.176 -1.491 -1.980 1.00 0.00 H HETATM 52 H17 UNL 1 -1.050 -2.707 -1.690 1.00 0.00 H HETATM 53 H18 UNL 1 0.231 -0.336 -3.153 1.00 0.00 H HETATM 54 H19 UNL 1 0.302 -0.641 -1.363 1.00 0.00 H HETATM 55 H20 UNL 1 1.177 -2.614 -3.686 1.00 0.00 H HETATM 56 H21 UNL 1 2.980 -3.231 -2.240 1.00 0.00 H HETATM 57 H22 UNL 1 2.540 -2.766 0.134 1.00 0.00 H HETATM 58 H23 UNL 1 1.638 -1.241 -0.184 1.00 0.00 H HETATM 59 H24 UNL 1 6.040 0.053 -0.330 1.00 0.00 H HETATM 60 H25 UNL 1 5.776 -0.415 2.715 1.00 0.00 H HETATM 61 H26 UNL 1 7.297 -0.114 1.833 1.00 0.00 H HETATM 62 H27 UNL 1 6.347 -4.553 1.321 1.00 0.00 H HETATM 63 H28 UNL 1 7.277 -4.793 2.892 1.00 0.00 H HETATM 64 H29 UNL 1 8.127 -4.403 1.326 1.00 0.00 H HETATM 65 H30 UNL 1 4.979 1.663 2.088 1.00 0.00 H HETATM 66 H31 UNL 1 6.319 2.086 0.999 1.00 0.00 H HETATM 67 H32 UNL 1 2.911 4.935 1.989 1.00 0.00 H HETATM 68 H33 UNL 1 5.282 4.203 2.599 1.00 0.00 H HETATM 69 H34 UNL 1 -0.682 -2.499 -4.378 1.00 0.00 H HETATM 70 H35 UNL 1 -2.729 -3.414 -2.723 1.00 0.00 H HETATM 71 H36 UNL 1 -1.625 -0.545 -5.155 1.00 0.00 H HETATM 72 H37 UNL 1 -3.240 -1.220 -4.610 1.00 0.00 H HETATM 73 H38 UNL 1 -1.472 0.760 -3.198 1.00 0.00 H HETATM 74 H39 UNL 1 -3.351 1.589 -2.743 1.00 0.00 H CONECT 1 2 36 37 38 CONECT 2 3 39 40 CONECT 3 4 41 42 CONECT 4 5 43 44 CONECT 5 6 45 46 CONECT 6 7 8 47 CONECT 7 48 CONECT 8 9 9 49 CONECT 9 10 50 CONECT 10 11 34 51 CONECT 11 12 31 52 CONECT 12 13 53 54 CONECT 13 14 14 55 CONECT 14 15 56 CONECT 15 16 57 58 CONECT 16 17 17 18 CONECT 18 19 CONECT 19 20 25 59 CONECT 20 21 60 61 CONECT 21 22 CONECT 22 23 24 24 CONECT 23 62 63 64 CONECT 25 26 65 66 CONECT 26 27 CONECT 27 28 28 29 30 CONECT 29 67 CONECT 30 68 CONECT 31 32 33 69 CONECT 32 70 CONECT 33 34 71 72 CONECT 34 35 73 CONECT 35 74 END