COMPND HMDB0038359 HETATM 1 O1 UNL 1 -3.460 -1.587 0.565 1.00 0.00 O HETATM 2 C1 UNL 1 -2.515 -2.045 -0.162 1.00 0.00 C HETATM 3 O2 UNL 1 -1.931 -1.123 -0.989 1.00 0.00 O HETATM 4 C2 UNL 1 -2.319 0.259 -1.068 1.00 0.00 C HETATM 5 C3 UNL 1 -2.965 0.557 -2.370 1.00 0.00 C HETATM 6 C4 UNL 1 -3.103 1.999 -2.607 1.00 0.00 C HETATM 7 C5 UNL 1 -3.747 2.410 -3.765 1.00 0.00 C HETATM 8 O3 UNL 1 -4.230 1.464 -4.658 1.00 0.00 O HETATM 9 C6 UNL 1 -3.882 3.757 -3.985 1.00 0.00 C HETATM 10 C7 UNL 1 -3.394 4.673 -3.084 1.00 0.00 C HETATM 11 O4 UNL 1 -3.541 6.033 -3.325 1.00 0.00 O HETATM 12 C8 UNL 1 -2.753 4.234 -1.934 1.00 0.00 C HETATM 13 C9 UNL 1 -2.606 2.891 -1.692 1.00 0.00 C HETATM 14 O5 UNL 1 -1.959 2.487 -0.531 1.00 0.00 O HETATM 15 C10 UNL 1 -1.332 1.176 -0.498 1.00 0.00 C HETATM 16 C11 UNL 1 -0.013 1.327 -1.070 1.00 0.00 C HETATM 17 C12 UNL 1 0.380 0.865 -2.305 1.00 0.00 C HETATM 18 C13 UNL 1 1.643 1.049 -2.833 1.00 0.00 C HETATM 19 O6 UNL 1 2.034 0.590 -4.060 1.00 0.00 O HETATM 20 C14 UNL 1 2.598 1.746 -2.081 1.00 0.00 C HETATM 21 O7 UNL 1 3.871 1.945 -2.584 1.00 0.00 O HETATM 22 C15 UNL 1 2.258 2.222 -0.852 1.00 0.00 C HETATM 23 O8 UNL 1 3.128 2.932 -0.019 1.00 0.00 O HETATM 24 C16 UNL 1 0.962 2.007 -0.362 1.00 0.00 C HETATM 25 C17 UNL 1 0.615 2.497 0.968 1.00 0.00 C HETATM 26 C18 UNL 1 0.722 1.640 2.060 1.00 0.00 C HETATM 27 C19 UNL 1 1.183 0.260 1.901 1.00 0.00 C HETATM 28 O9 UNL 1 2.461 0.282 1.279 1.00 0.00 O HETATM 29 C20 UNL 1 3.233 -0.855 1.212 1.00 0.00 C HETATM 30 C21 UNL 1 4.370 -0.808 0.402 1.00 0.00 C HETATM 31 C22 UNL 1 5.145 -1.956 0.338 1.00 0.00 C HETATM 32 O10 UNL 1 6.273 -1.928 -0.457 1.00 0.00 O HETATM 33 C23 UNL 1 4.784 -3.098 1.059 1.00 0.00 C HETATM 34 C24 UNL 1 3.653 -3.109 1.850 1.00 0.00 C HETATM 35 O11 UNL 1 3.313 -4.254 2.559 1.00 0.00 O HETATM 36 C25 UNL 1 2.882 -1.964 1.912 1.00 0.00 C HETATM 37 C26 UNL 1 1.673 -1.976 2.754 1.00 0.00 C HETATM 38 C27 UNL 1 1.204 -0.577 3.146 1.00 0.00 C HETATM 39 O12 UNL 1 2.016 -0.139 4.153 1.00 0.00 O HETATM 40 C28 UNL 1 0.389 2.134 3.299 1.00 0.00 C HETATM 41 C29 UNL 1 -0.037 3.451 3.419 1.00 0.00 C HETATM 42 O13 UNL 1 -0.367 3.921 4.684 1.00 0.00 O HETATM 43 C30 UNL 1 -0.130 4.271 2.317 1.00 0.00 C HETATM 44 O14 UNL 1 -0.558 5.592 2.448 1.00 0.00 O HETATM 45 C31 UNL 1 0.202 3.787 1.070 1.00 0.00 C HETATM 46 O15 UNL 1 0.101 4.646 -0.040 1.00 0.00 O HETATM 47 C32 UNL 1 -2.128 -3.450 -0.078 1.00 0.00 C HETATM 48 C33 UNL 1 -2.796 -4.257 0.818 1.00 0.00 C HETATM 49 C34 UNL 1 -2.495 -5.606 0.958 1.00 0.00 C HETATM 50 O16 UNL 1 -3.184 -6.403 1.871 1.00 0.00 O HETATM 51 C35 UNL 1 -1.508 -6.184 0.199 1.00 0.00 C HETATM 52 O17 UNL 1 -1.187 -7.551 0.326 1.00 0.00 O HETATM 53 C36 UNL 1 -0.829 -5.395 -0.700 1.00 0.00 C HETATM 54 O18 UNL 1 0.177 -5.961 -1.481 1.00 0.00 O HETATM 55 C37 UNL 1 -1.144 -4.034 -0.832 1.00 0.00 C HETATM 56 H1 UNL 1 -3.196 0.330 -0.312 1.00 0.00 H HETATM 57 H2 UNL 1 -4.023 0.089 -2.290 1.00 0.00 H HETATM 58 H3 UNL 1 -2.528 0.021 -3.252 1.00 0.00 H HETATM 59 H4 UNL 1 -4.699 1.697 -5.502 1.00 0.00 H HETATM 60 H5 UNL 1 -4.383 4.142 -4.885 1.00 0.00 H HETATM 61 H6 UNL 1 -4.400 6.461 -2.954 1.00 0.00 H HETATM 62 H7 UNL 1 -2.379 4.974 -1.242 1.00 0.00 H HETATM 63 H8 UNL 1 -1.311 0.975 0.615 1.00 0.00 H HETATM 64 H9 UNL 1 -0.300 0.307 -2.954 1.00 0.00 H HETATM 65 H10 UNL 1 1.462 0.078 -4.704 1.00 0.00 H HETATM 66 H11 UNL 1 4.582 2.430 -2.096 1.00 0.00 H HETATM 67 H12 UNL 1 4.062 3.116 -0.319 1.00 0.00 H HETATM 68 H13 UNL 1 0.528 -0.307 1.184 1.00 0.00 H HETATM 69 H14 UNL 1 4.615 0.094 -0.140 1.00 0.00 H HETATM 70 H15 UNL 1 6.537 -1.104 -0.979 1.00 0.00 H HETATM 71 H16 UNL 1 5.440 -3.950 0.953 1.00 0.00 H HETATM 72 H17 UNL 1 3.900 -5.075 2.490 1.00 0.00 H HETATM 73 H18 UNL 1 0.836 -2.521 2.250 1.00 0.00 H HETATM 74 H19 UNL 1 1.884 -2.516 3.703 1.00 0.00 H HETATM 75 H20 UNL 1 0.172 -0.685 3.526 1.00 0.00 H HETATM 76 H21 UNL 1 2.298 -0.948 4.689 1.00 0.00 H HETATM 77 H22 UNL 1 0.438 1.528 4.220 1.00 0.00 H HETATM 78 H23 UNL 1 -0.302 3.327 5.497 1.00 0.00 H HETATM 79 H24 UNL 1 -0.809 5.981 3.342 1.00 0.00 H HETATM 80 H25 UNL 1 -0.211 5.598 0.087 1.00 0.00 H HETATM 81 H26 UNL 1 -3.586 -3.805 1.430 1.00 0.00 H HETATM 82 H27 UNL 1 -3.918 -6.035 2.455 1.00 0.00 H HETATM 83 H28 UNL 1 -1.664 -8.151 0.972 1.00 0.00 H HETATM 84 H29 UNL 1 0.400 -6.927 -1.389 1.00 0.00 H HETATM 85 H30 UNL 1 -0.602 -3.428 -1.541 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 47 CONECT 3 4 CONECT 4 5 15 56 CONECT 5 6 57 58 CONECT 6 7 7 13 CONECT 7 8 9 CONECT 8 59 CONECT 9 10 10 60 CONECT 10 11 12 CONECT 11 61 CONECT 12 13 13 62 CONECT 13 14 CONECT 14 15 CONECT 15 16 63 CONECT 16 17 17 24 CONECT 17 18 64 CONECT 18 19 20 20 CONECT 19 65 CONECT 20 21 22 CONECT 21 66 CONECT 22 23 24 24 CONECT 23 67 CONECT 24 25 CONECT 25 26 45 45 CONECT 26 27 40 40 CONECT 27 28 38 68 CONECT 28 29 CONECT 29 30 30 36 CONECT 30 31 69 CONECT 31 32 33 33 CONECT 32 70 CONECT 33 34 71 CONECT 34 35 36 36 CONECT 35 72 CONECT 36 37 CONECT 37 38 73 74 CONECT 38 39 75 CONECT 39 76 CONECT 40 41 77 CONECT 41 42 43 43 CONECT 42 78 CONECT 43 44 45 CONECT 44 79 CONECT 45 46 CONECT 46 80 CONECT 47 48 48 55 CONECT 48 49 81 CONECT 49 50 51 51 CONECT 50 82 CONECT 51 52 53 CONECT 52 83 CONECT 53 54 55 55 CONECT 54 84 CONECT 55 85 END