COMPND HMDB0251752 HETATM 1 C1 UNL 1 -6.019 5.701 -0.490 1.00 0.00 C HETATM 2 C2 UNL 1 -6.338 4.319 0.044 1.00 0.00 C HETATM 3 C3 UNL 1 -5.108 3.422 0.026 1.00 0.00 C HETATM 4 C4 UNL 1 -5.598 2.116 0.627 1.00 0.00 C HETATM 5 C5 UNL 1 -4.499 1.057 0.717 1.00 0.00 C HETATM 6 C6 UNL 1 -5.098 -0.177 1.326 1.00 0.00 C HETATM 7 C7 UNL 1 -6.144 -1.002 0.823 1.00 0.00 C HETATM 8 C8 UNL 1 -7.515 -0.558 0.489 1.00 0.00 C HETATM 9 C9 UNL 1 -8.377 -1.796 0.061 1.00 0.00 C HETATM 10 C10 UNL 1 -3.914 0.817 -0.656 1.00 0.00 C HETATM 11 N1 UNL 1 -3.083 -0.319 -0.746 1.00 0.00 N HETATM 12 C11 UNL 1 -3.486 -1.540 -1.322 1.00 0.00 C HETATM 13 C12 UNL 1 -4.030 -1.650 -2.575 1.00 0.00 C HETATM 14 C13 UNL 1 -4.410 -2.927 -3.027 1.00 0.00 C HETATM 15 C14 UNL 1 -4.263 -4.041 -2.286 1.00 0.00 C HETATM 16 C15 UNL 1 -3.725 -3.939 -1.038 1.00 0.00 C HETATM 17 C16 UNL 1 -3.340 -2.698 -0.563 1.00 0.00 C HETATM 18 C17 UNL 1 -1.740 -0.365 -0.276 1.00 0.00 C HETATM 19 C18 UNL 1 -1.048 -1.469 -0.699 1.00 0.00 C HETATM 20 C19 UNL 1 0.197 -1.666 -0.232 1.00 0.00 C HETATM 21 S1 UNL 1 1.154 -3.052 -0.855 1.00 0.00 S HETATM 22 C20 UNL 1 0.295 -3.865 -2.270 1.00 0.00 C HETATM 23 C21 UNL 1 0.888 -0.822 0.674 1.00 0.00 C HETATM 24 O1 UNL 1 2.088 -1.182 1.029 1.00 0.00 O HETATM 25 C22 UNL 1 3.279 -1.098 1.604 1.00 0.00 C HETATM 26 C23 UNL 1 4.262 -0.195 0.938 1.00 0.00 C HETATM 27 O2 UNL 1 3.929 0.788 0.307 1.00 0.00 O HETATM 28 N2 UNL 1 5.645 -0.576 1.083 1.00 0.00 N HETATM 29 C24 UNL 1 6.767 0.048 0.522 1.00 0.00 C HETATM 30 C25 UNL 1 7.319 1.256 1.243 1.00 0.00 C HETATM 31 O3 UNL 1 6.884 1.527 2.328 1.00 0.00 O HETATM 32 N3 UNL 1 8.318 1.968 0.522 1.00 0.00 N HETATM 33 C26 UNL 1 9.254 2.662 -0.121 1.00 0.00 C HETATM 34 C27 UNL 1 10.562 2.777 0.585 1.00 0.00 C HETATM 35 O4 UNL 1 10.930 2.221 1.613 1.00 0.00 O HETATM 36 O5 UNL 1 11.487 3.661 -0.067 1.00 0.00 O HETATM 37 C28 UNL 1 7.848 -0.950 0.253 1.00 0.00 C HETATM 38 C29 UNL 1 8.095 -2.003 1.128 1.00 0.00 C HETATM 39 C30 UNL 1 9.070 -2.951 0.848 1.00 0.00 C HETATM 40 C31 UNL 1 9.812 -2.898 -0.275 1.00 0.00 C HETATM 41 C32 UNL 1 9.560 -1.839 -1.157 1.00 0.00 C HETATM 42 C33 UNL 1 8.603 -0.871 -0.917 1.00 0.00 C HETATM 43 C34 UNL 1 0.176 0.280 1.077 1.00 0.00 C HETATM 44 C35 UNL 1 -1.132 0.531 0.620 1.00 0.00 C HETATM 45 S2 UNL 1 -1.899 1.961 1.279 1.00 0.00 S HETATM 46 O6 UNL 1 -1.773 3.073 0.316 1.00 0.00 O HETATM 47 O7 UNL 1 -1.145 2.383 2.513 1.00 0.00 O HETATM 48 C36 UNL 1 -3.523 1.543 1.753 1.00 0.00 C HETATM 49 H1 UNL 1 -6.651 6.472 0.028 1.00 0.00 H HETATM 50 H2 UNL 1 -6.289 5.746 -1.536 1.00 0.00 H HETATM 51 H3 UNL 1 -4.927 5.971 -0.369 1.00 0.00 H HETATM 52 H4 UNL 1 -7.162 3.899 -0.568 1.00 0.00 H HETATM 53 H5 UNL 1 -6.756 4.429 1.064 1.00 0.00 H HETATM 54 H6 UNL 1 -4.366 3.946 0.673 1.00 0.00 H HETATM 55 H7 UNL 1 -4.790 3.318 -0.996 1.00 0.00 H HETATM 56 H8 UNL 1 -6.486 1.845 0.091 1.00 0.00 H HETATM 57 H9 UNL 1 -5.921 2.394 1.668 1.00 0.00 H HETATM 58 H10 UNL 1 -5.368 0.075 2.417 1.00 0.00 H HETATM 59 H11 UNL 1 -4.213 -0.912 1.536 1.00 0.00 H HETATM 60 H12 UNL 1 -6.335 -1.777 1.697 1.00 0.00 H HETATM 61 H13 UNL 1 -5.869 -1.764 0.043 1.00 0.00 H HETATM 62 H14 UNL 1 -8.053 0.002 1.209 1.00 0.00 H HETATM 63 H15 UNL 1 -7.462 0.078 -0.470 1.00 0.00 H HETATM 64 H16 UNL 1 -9.042 -2.000 0.947 1.00 0.00 H HETATM 65 H17 UNL 1 -7.763 -2.625 -0.236 1.00 0.00 H HETATM 66 H18 UNL 1 -9.068 -1.386 -0.695 1.00 0.00 H HETATM 67 H19 UNL 1 -4.771 0.689 -1.334 1.00 0.00 H HETATM 68 H20 UNL 1 -3.420 1.757 -0.974 1.00 0.00 H HETATM 69 H21 UNL 1 -4.150 -0.784 -3.167 1.00 0.00 H HETATM 70 H22 UNL 1 -4.845 -2.975 -4.038 1.00 0.00 H HETATM 71 H23 UNL 1 -4.547 -5.042 -2.620 1.00 0.00 H HETATM 72 H24 UNL 1 -3.581 -4.837 -0.422 1.00 0.00 H HETATM 73 H25 UNL 1 -2.898 -2.682 0.443 1.00 0.00 H HETATM 74 H26 UNL 1 -1.525 -2.094 -1.445 1.00 0.00 H HETATM 75 H27 UNL 1 0.374 -3.156 -3.156 1.00 0.00 H HETATM 76 H28 UNL 1 -0.754 -3.967 -2.016 1.00 0.00 H HETATM 77 H29 UNL 1 0.770 -4.826 -2.531 1.00 0.00 H HETATM 78 H30 UNL 1 3.781 -2.080 1.878 1.00 0.00 H HETATM 79 H31 UNL 1 3.149 -0.616 2.644 1.00 0.00 H HETATM 80 H32 UNL 1 5.856 -1.453 1.693 1.00 0.00 H HETATM 81 H33 UNL 1 6.495 0.454 -0.507 1.00 0.00 H HETATM 82 H34 UNL 1 8.312 2.922 1.510 1.00 0.00 H HETATM 83 H35 UNL 1 8.968 3.746 -0.395 1.00 0.00 H HETATM 84 H36 UNL 1 9.483 2.209 -1.178 1.00 0.00 H HETATM 85 H37 UNL 1 11.584 4.603 0.358 1.00 0.00 H HETATM 86 H38 UNL 1 7.551 -2.097 2.069 1.00 0.00 H HETATM 87 H39 UNL 1 9.210 -3.784 1.587 1.00 0.00 H HETATM 88 H40 UNL 1 10.551 -3.634 -0.521 1.00 0.00 H HETATM 89 H41 UNL 1 10.130 -1.783 -2.059 1.00 0.00 H HETATM 90 H42 UNL 1 8.433 -0.053 -1.600 1.00 0.00 H HETATM 91 H43 UNL 1 0.589 1.043 1.769 1.00 0.00 H HETATM 92 H44 UNL 1 -3.418 0.716 2.527 1.00 0.00 H HETATM 93 H45 UNL 1 -4.017 2.351 2.325 1.00 0.00 H CONECT 1 2 49 50 51 CONECT 2 3 52 53 CONECT 3 4 54 55 CONECT 4 5 56 57 CONECT 5 6 10 48 CONECT 6 7 58 59 CONECT 7 8 60 61 CONECT 8 9 62 63 CONECT 9 64 65 66 CONECT 10 11 67 68 CONECT 11 12 18 CONECT 12 13 13 17 CONECT 13 14 69 CONECT 14 15 15 70 CONECT 15 16 71 CONECT 16 17 17 72 CONECT 17 73 CONECT 18 19 19 44 CONECT 19 20 74 CONECT 20 21 23 23 CONECT 21 22 CONECT 22 75 76 77 CONECT 23 24 43 CONECT 24 25 CONECT 25 26 78 79 CONECT 26 27 27 28 CONECT 28 29 80 CONECT 29 30 37 81 CONECT 30 31 31 32 CONECT 32 33 82 CONECT 33 34 83 84 CONECT 34 35 35 36 CONECT 36 85 CONECT 37 38 38 42 CONECT 38 39 86 CONECT 39 40 40 87 CONECT 40 41 88 CONECT 41 42 42 89 CONECT 42 90 CONECT 43 44 44 91 CONECT 44 45 CONECT 45 46 46 47 47 CONECT 45 48 CONECT 48 92 93 END