COMPND HMDB0247521 HETATM 1 C1 UNL 1 11.295 -1.409 1.214 1.00 0.00 C HETATM 2 O1 UNL 1 10.839 -0.547 0.187 1.00 0.00 O HETATM 3 C2 UNL 1 9.510 -0.659 -0.247 1.00 0.00 C HETATM 4 C3 UNL 1 8.639 -1.576 0.262 1.00 0.00 C HETATM 5 C4 UNL 1 7.318 -1.688 -0.162 1.00 0.00 C HETATM 6 C5 UNL 1 6.871 -0.827 -1.142 1.00 0.00 C HETATM 7 C6 UNL 1 7.732 0.102 -1.671 1.00 0.00 C HETATM 8 C7 UNL 1 9.034 0.206 -1.249 1.00 0.00 C HETATM 9 O2 UNL 1 9.930 1.129 -1.750 1.00 0.00 O HETATM 10 C8 UNL 1 9.481 2.018 -2.765 1.00 0.00 C HETATM 11 C9 UNL 1 5.461 -0.848 -1.628 1.00 0.00 C HETATM 12 N1 UNL 1 4.599 -1.461 -0.607 1.00 0.00 N HETATM 13 C10 UNL 1 4.669 -0.715 0.635 1.00 0.00 C HETATM 14 C11 UNL 1 3.701 -1.271 1.618 1.00 0.00 C HETATM 15 C12 UNL 1 2.287 -1.093 1.190 1.00 0.00 C HETATM 16 C13 UNL 1 1.626 0.093 1.563 1.00 0.00 C HETATM 17 C14 UNL 1 0.327 0.306 1.237 1.00 0.00 C HETATM 18 C15 UNL 1 -0.443 -0.632 0.516 1.00 0.00 C HETATM 19 N2 UNL 1 -1.794 -0.250 0.265 1.00 0.00 N HETATM 20 N3 UNL 1 -2.383 0.184 -0.811 1.00 0.00 N HETATM 21 N4 UNL 1 -3.647 0.548 -0.553 1.00 0.00 N HETATM 22 C16 UNL 1 -3.882 0.348 0.713 1.00 0.00 C HETATM 23 C17 UNL 1 -4.982 0.715 1.634 1.00 0.00 C HETATM 24 C18 UNL 1 -5.182 -0.009 2.782 1.00 0.00 C HETATM 25 C19 UNL 1 -6.014 0.500 3.763 1.00 0.00 C HETATM 26 O3 UNL 1 -6.184 -0.261 4.882 1.00 0.00 O HETATM 27 C20 UNL 1 -5.605 -1.531 5.128 1.00 0.00 C HETATM 28 C21 UNL 1 -6.637 1.709 3.606 1.00 0.00 C HETATM 29 O4 UNL 1 -7.480 2.223 4.618 1.00 0.00 O HETATM 30 C22 UNL 1 -8.102 3.470 4.454 1.00 0.00 C HETATM 31 C23 UNL 1 -6.421 2.401 2.453 1.00 0.00 C HETATM 32 C24 UNL 1 -5.590 1.953 1.396 1.00 0.00 C HETATM 33 N5 UNL 1 -5.538 2.509 0.202 1.00 0.00 N HETATM 34 C25 UNL 1 -5.481 3.110 -1.044 1.00 0.00 C HETATM 35 O5 UNL 1 -5.214 4.287 -1.311 1.00 0.00 O HETATM 36 C26 UNL 1 -5.787 2.245 -2.210 1.00 0.00 C HETATM 37 C27 UNL 1 -5.249 2.463 -3.436 1.00 0.00 C HETATM 38 C28 UNL 1 -5.593 1.631 -4.477 1.00 0.00 C HETATM 39 O6 UNL 1 -5.103 1.822 -5.623 1.00 0.00 O HETATM 40 C29 UNL 1 -6.478 0.574 -4.303 1.00 0.00 C HETATM 41 C30 UNL 1 -6.862 -0.270 -5.295 1.00 0.00 C HETATM 42 C31 UNL 1 -7.760 -1.321 -5.104 1.00 0.00 C HETATM 43 C32 UNL 1 -8.251 -1.466 -3.823 1.00 0.00 C HETATM 44 C33 UNL 1 -7.879 -0.639 -2.824 1.00 0.00 C HETATM 45 C34 UNL 1 -6.980 0.423 -3.011 1.00 0.00 C HETATM 46 O7 UNL 1 -6.638 1.225 -2.042 1.00 0.00 O HETATM 47 N6 UNL 1 -2.714 -0.164 1.236 1.00 0.00 N HETATM 48 C35 UNL 1 0.207 -1.757 0.167 1.00 0.00 C HETATM 49 C36 UNL 1 1.555 -2.015 0.485 1.00 0.00 C HETATM 50 C37 UNL 1 5.158 -2.795 -0.315 1.00 0.00 C HETATM 51 C38 UNL 1 6.444 -2.710 0.468 1.00 0.00 C HETATM 52 H1 UNL 1 10.730 -1.142 2.156 1.00 0.00 H HETATM 53 H2 UNL 1 12.373 -1.269 1.450 1.00 0.00 H HETATM 54 H3 UNL 1 11.017 -2.449 0.984 1.00 0.00 H HETATM 55 H4 UNL 1 9.021 -2.237 1.026 1.00 0.00 H HETATM 56 H5 UNL 1 7.347 0.777 -2.454 1.00 0.00 H HETATM 57 H6 UNL 1 10.324 2.574 -3.235 1.00 0.00 H HETATM 58 H7 UNL 1 8.905 1.493 -3.553 1.00 0.00 H HETATM 59 H8 UNL 1 8.812 2.801 -2.312 1.00 0.00 H HETATM 60 H9 UNL 1 5.096 0.196 -1.767 1.00 0.00 H HETATM 61 H10 UNL 1 5.426 -1.453 -2.547 1.00 0.00 H HETATM 62 H11 UNL 1 5.637 -0.661 1.105 1.00 0.00 H HETATM 63 H12 UNL 1 4.371 0.351 0.414 1.00 0.00 H HETATM 64 H13 UNL 1 3.851 -0.742 2.610 1.00 0.00 H HETATM 65 H14 UNL 1 3.872 -2.340 1.854 1.00 0.00 H HETATM 66 H15 UNL 1 2.219 0.817 2.124 1.00 0.00 H HETATM 67 H16 UNL 1 -0.184 1.234 1.525 1.00 0.00 H HETATM 68 H17 UNL 1 -4.702 -0.990 2.950 1.00 0.00 H HETATM 69 H18 UNL 1 -4.505 -1.411 5.033 1.00 0.00 H HETATM 70 H19 UNL 1 -5.965 -2.283 4.425 1.00 0.00 H HETATM 71 H20 UNL 1 -5.872 -1.886 6.150 1.00 0.00 H HETATM 72 H21 UNL 1 -8.569 3.786 5.432 1.00 0.00 H HETATM 73 H22 UNL 1 -8.889 3.362 3.661 1.00 0.00 H HETATM 74 H23 UNL 1 -7.423 4.269 4.084 1.00 0.00 H HETATM 75 H24 UNL 1 -6.898 3.361 2.290 1.00 0.00 H HETATM 76 H25 UNL 1 -5.191 3.704 0.759 1.00 0.00 H HETATM 77 H26 UNL 1 -4.542 3.311 -3.583 1.00 0.00 H HETATM 78 H27 UNL 1 -6.440 -0.116 -6.303 1.00 0.00 H HETATM 79 H28 UNL 1 -7.996 -1.932 -5.939 1.00 0.00 H HETATM 80 H29 UNL 1 -8.964 -2.293 -3.673 1.00 0.00 H HETATM 81 H30 UNL 1 -8.251 -0.751 -1.830 1.00 0.00 H HETATM 82 H31 UNL 1 -0.363 -2.501 -0.394 1.00 0.00 H HETATM 83 H32 UNL 1 2.010 -2.942 0.181 1.00 0.00 H HETATM 84 H33 UNL 1 4.381 -3.364 0.189 1.00 0.00 H HETATM 85 H34 UNL 1 5.362 -3.288 -1.276 1.00 0.00 H HETATM 86 H35 UNL 1 6.283 -2.530 1.560 1.00 0.00 H HETATM 87 H36 UNL 1 6.901 -3.736 0.404 1.00 0.00 H CONECT 1 2 52 53 54 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 55 CONECT 5 6 6 51 CONECT 6 7 11 CONECT 7 8 8 56 CONECT 8 9 CONECT 9 10 CONECT 10 57 58 59 CONECT 11 12 60 61 CONECT 12 13 50 CONECT 13 14 62 63 CONECT 14 15 64 65 CONECT 15 16 16 49 CONECT 16 17 66 CONECT 17 18 18 67 CONECT 18 19 48 CONECT 19 20 47 CONECT 20 21 21 CONECT 21 22 CONECT 22 23 47 47 CONECT 23 24 24 32 CONECT 24 25 68 CONECT 25 26 28 28 CONECT 26 27 CONECT 27 69 70 71 CONECT 28 29 31 CONECT 29 30 CONECT 30 72 73 74 CONECT 31 32 32 75 CONECT 32 33 CONECT 33 34 76 CONECT 34 35 35 36 CONECT 36 37 37 46 CONECT 37 38 77 CONECT 38 39 39 40 CONECT 40 41 41 45 CONECT 41 42 78 CONECT 42 43 43 79 CONECT 43 44 80 CONECT 44 45 45 81 CONECT 45 46 CONECT 48 49 49 82 CONECT 49 83 CONECT 50 51 84 85 CONECT 51 86 87 END