COMPND HMDB0002379 HETATM 1 C1 UNL 1 -1.779 -5.012 -2.333 1.00 0.00 C HETATM 2 C2 UNL 1 -2.111 -5.062 -0.873 1.00 0.00 C HETATM 3 C3 UNL 1 -2.361 -3.680 -0.318 1.00 0.00 C HETATM 4 C4 UNL 1 -3.511 -2.954 -0.520 1.00 0.00 C HETATM 5 C5 UNL 1 -4.711 -3.411 -1.328 1.00 0.00 C HETATM 6 C6 UNL 1 -3.333 -1.764 0.164 1.00 0.00 C HETATM 7 C7 UNL 1 -4.257 -0.677 0.028 1.00 0.00 C HETATM 8 C8 UNL 1 -3.812 0.674 -0.156 1.00 0.00 C HETATM 9 N1 UNL 1 -2.720 1.082 -0.821 1.00 0.00 N HETATM 10 C9 UNL 1 -2.583 2.397 -0.577 1.00 0.00 C HETATM 11 C10 UNL 1 -1.567 3.279 -0.943 1.00 0.00 C HETATM 12 C11 UNL 1 -0.186 3.025 -0.907 1.00 0.00 C HETATM 13 N2 UNL 1 0.202 1.707 -0.806 1.00 0.00 N HETATM 14 C12 UNL 1 1.513 1.611 -0.790 1.00 0.00 C HETATM 15 C13 UNL 1 2.208 0.454 -0.729 1.00 0.00 C HETATM 16 C14 UNL 1 2.004 -0.723 -0.076 1.00 0.00 C HETATM 17 N3 UNL 1 0.846 -1.347 -0.019 1.00 0.00 N HETATM 18 C15 UNL 1 0.942 -2.517 0.653 1.00 0.00 C HETATM 19 C16 UNL 1 -0.214 -3.306 0.792 1.00 0.00 C HETATM 20 C17 UNL 1 -1.519 -2.888 0.494 1.00 0.00 C HETATM 21 N4 UNL 1 -2.139 -1.732 0.780 1.00 0.00 N HETATM 22 C18 UNL 1 2.327 -2.630 1.062 1.00 0.00 C HETATM 23 C19 UNL 1 2.851 -3.783 1.857 1.00 0.00 C HETATM 24 C20 UNL 1 3.011 -1.588 0.654 1.00 0.00 C HETATM 25 C21 UNL 1 4.429 -1.227 0.762 1.00 0.00 C HETATM 26 C22 UNL 1 5.367 -2.238 1.288 1.00 0.00 C HETATM 27 C23 UNL 1 6.773 -1.665 1.349 1.00 0.00 C HETATM 28 O1 UNL 1 6.963 -0.610 2.010 1.00 0.00 O HETATM 29 O2 UNL 1 7.845 -2.247 0.713 1.00 0.00 O HETATM 30 C24 UNL 1 2.070 2.996 -0.886 1.00 0.00 C HETATM 31 C25 UNL 1 3.511 3.362 -0.905 1.00 0.00 C HETATM 32 C26 UNL 1 4.129 2.864 0.389 1.00 0.00 C HETATM 33 C27 UNL 1 5.561 3.173 0.482 1.00 0.00 C HETATM 34 O3 UNL 1 6.167 2.787 1.509 1.00 0.00 O HETATM 35 O4 UNL 1 6.186 3.855 -0.523 1.00 0.00 O HETATM 36 C28 UNL 1 1.027 3.788 -0.953 1.00 0.00 C HETATM 37 C29 UNL 1 1.090 5.279 -1.058 1.00 0.00 C HETATM 38 C30 UNL 1 -3.640 2.820 0.262 1.00 0.00 C HETATM 39 C31 UNL 1 -3.921 4.211 0.787 1.00 0.00 C HETATM 40 C32 UNL 1 -4.416 1.715 0.523 1.00 0.00 C HETATM 41 C33 UNL 1 -5.666 1.700 1.376 1.00 0.00 C HETATM 42 C34 UNL 1 -6.876 1.643 0.446 1.00 0.00 C HETATM 43 H1 UNL 1 -2.493 -5.687 -2.862 1.00 0.00 H HETATM 44 H2 UNL 1 -0.764 -5.464 -2.463 1.00 0.00 H HETATM 45 H3 UNL 1 -1.836 -3.978 -2.677 1.00 0.00 H HETATM 46 H4 UNL 1 -3.024 -5.686 -0.671 1.00 0.00 H HETATM 47 H5 UNL 1 -1.312 -5.521 -0.253 1.00 0.00 H HETATM 48 H6 UNL 1 -5.399 -3.889 -0.617 1.00 0.00 H HETATM 49 H7 UNL 1 -4.381 -4.083 -2.141 1.00 0.00 H HETATM 50 H8 UNL 1 -5.167 -2.494 -1.734 1.00 0.00 H HETATM 51 H9 UNL 1 -5.307 -0.910 0.068 1.00 0.00 H HETATM 52 H10 UNL 1 -2.068 0.480 -1.504 1.00 0.00 H HETATM 53 H11 UNL 1 -1.759 4.312 -1.289 1.00 0.00 H HETATM 54 H12 UNL 1 3.153 0.447 -1.348 1.00 0.00 H HETATM 55 H13 UNL 1 0.039 -4.312 1.138 1.00 0.00 H HETATM 56 H14 UNL 1 -1.742 -0.934 1.464 1.00 0.00 H HETATM 57 H15 UNL 1 2.049 -4.563 1.945 1.00 0.00 H HETATM 58 H16 UNL 1 3.690 -4.285 1.376 1.00 0.00 H HETATM 59 H17 UNL 1 3.101 -3.469 2.890 1.00 0.00 H HETATM 60 H18 UNL 1 4.487 -0.334 1.438 1.00 0.00 H HETATM 61 H19 UNL 1 4.833 -0.825 -0.219 1.00 0.00 H HETATM 62 H20 UNL 1 5.182 -2.610 2.305 1.00 0.00 H HETATM 63 H21 UNL 1 5.489 -3.101 0.567 1.00 0.00 H HETATM 64 H22 UNL 1 8.000 -2.179 -0.298 1.00 0.00 H HETATM 65 H23 UNL 1 4.005 2.785 -1.730 1.00 0.00 H HETATM 66 H24 UNL 1 3.624 4.444 -1.025 1.00 0.00 H HETATM 67 H25 UNL 1 3.558 3.396 1.205 1.00 0.00 H HETATM 68 H26 UNL 1 3.893 1.788 0.485 1.00 0.00 H HETATM 69 H27 UNL 1 5.741 4.579 -1.086 1.00 0.00 H HETATM 70 H28 UNL 1 2.047 5.656 -0.591 1.00 0.00 H HETATM 71 H29 UNL 1 0.271 5.770 -0.514 1.00 0.00 H HETATM 72 H30 UNL 1 1.141 5.596 -2.125 1.00 0.00 H HETATM 73 H31 UNL 1 -2.960 4.739 0.823 1.00 0.00 H HETATM 74 H32 UNL 1 -4.712 4.698 0.207 1.00 0.00 H HETATM 75 H33 UNL 1 -4.295 4.063 1.818 1.00 0.00 H HETATM 76 H34 UNL 1 -5.671 2.584 2.009 1.00 0.00 H HETATM 77 H35 UNL 1 -5.611 0.731 1.920 1.00 0.00 H HETATM 78 H36 UNL 1 -6.543 1.708 -0.622 1.00 0.00 H HETATM 79 H37 UNL 1 -7.538 2.501 0.671 1.00 0.00 H HETATM 80 H38 UNL 1 -7.425 0.684 0.582 1.00 0.00 H CONECT 1 2 43 44 45 CONECT 2 3 46 47 CONECT 3 4 4 20 CONECT 4 5 6 CONECT 5 48 49 50 CONECT 6 7 7 21 CONECT 7 8 51 CONECT 8 9 40 40 CONECT 9 10 52 CONECT 10 11 38 38 CONECT 11 12 12 53 CONECT 12 13 36 CONECT 13 14 14 CONECT 14 15 30 CONECT 15 16 16 54 CONECT 16 17 24 CONECT 17 18 18 CONECT 18 19 22 CONECT 19 20 20 55 CONECT 20 21 CONECT 21 56 CONECT 22 23 24 24 CONECT 23 57 58 59 CONECT 24 25 CONECT 25 26 60 61 CONECT 26 27 62 63 CONECT 27 28 28 29 CONECT 29 64 CONECT 30 31 36 36 CONECT 31 32 65 66 CONECT 32 33 67 68 CONECT 33 34 34 35 CONECT 35 69 CONECT 36 37 CONECT 37 70 71 72 CONECT 38 39 40 CONECT 39 73 74 75 CONECT 40 41 CONECT 41 42 76 77 CONECT 42 78 79 80 END