COMPND HMDB0040538 HETATM 1 C1 UNL 1 -4.554 0.076 4.933 1.00 0.00 C HETATM 2 C2 UNL 1 -3.367 -0.260 4.047 1.00 0.00 C HETATM 3 O1 UNL 1 -3.295 0.523 2.962 1.00 0.00 O HETATM 4 C3 UNL 1 -2.717 -0.034 1.792 1.00 0.00 C HETATM 5 O2 UNL 1 -3.828 -0.506 1.054 1.00 0.00 O HETATM 6 C4 UNL 1 -4.566 0.329 0.223 1.00 0.00 C HETATM 7 C5 UNL 1 -4.257 0.460 -1.089 1.00 0.00 C HETATM 8 C6 UNL 1 -3.181 -0.209 -1.807 1.00 0.00 C HETATM 9 C7 UNL 1 -2.448 -1.271 -1.383 1.00 0.00 C HETATM 10 C8 UNL 1 -1.400 -1.825 -2.100 1.00 0.00 C HETATM 11 C9 UNL 1 -1.051 -1.300 -3.318 1.00 0.00 C HETATM 12 O3 UNL 1 0.013 -1.853 -4.058 1.00 0.00 O HETATM 13 C10 UNL 1 -1.766 -0.224 -3.792 1.00 0.00 C HETATM 14 C11 UNL 1 -2.808 0.311 -3.054 1.00 0.00 C HETATM 15 O4 UNL 1 -5.040 1.306 -1.779 1.00 0.00 O HETATM 16 C12 UNL 1 -6.030 1.967 -1.270 1.00 0.00 C HETATM 17 C13 UNL 1 -6.807 2.829 -2.034 1.00 0.00 C HETATM 18 C14 UNL 1 -7.862 3.538 -1.510 1.00 0.00 C HETATM 19 O5 UNL 1 -8.634 4.403 -2.292 1.00 0.00 O HETATM 20 C15 UNL 1 -8.206 3.427 -0.184 1.00 0.00 C HETATM 21 C16 UNL 1 -7.458 2.581 0.602 1.00 0.00 C HETATM 22 O6 UNL 1 -7.779 2.448 1.941 1.00 0.00 O HETATM 23 C17 UNL 1 -6.395 1.867 0.078 1.00 0.00 C HETATM 24 C18 UNL 1 -5.628 1.019 0.826 1.00 0.00 C HETATM 25 O7 UNL 1 -5.875 0.863 2.039 1.00 0.00 O HETATM 26 C19 UNL 1 -1.674 -0.959 2.181 1.00 0.00 C HETATM 27 O8 UNL 1 -0.683 -1.318 1.312 1.00 0.00 O HETATM 28 C20 UNL 1 0.620 -0.990 1.694 1.00 0.00 C HETATM 29 O9 UNL 1 1.083 -0.106 0.809 1.00 0.00 O HETATM 30 C21 UNL 1 2.354 0.077 0.462 1.00 0.00 C HETATM 31 C22 UNL 1 2.565 0.255 -1.048 1.00 0.00 C HETATM 32 O10 UNL 1 3.925 0.445 -1.367 1.00 0.00 O HETATM 33 C23 UNL 1 4.708 1.501 -0.946 1.00 0.00 C HETATM 34 O11 UNL 1 4.197 2.384 -0.229 1.00 0.00 O HETATM 35 C24 UNL 1 6.123 1.596 -1.331 1.00 0.00 C HETATM 36 C25 UNL 1 6.702 0.682 -2.075 1.00 0.00 C HETATM 37 C26 UNL 1 8.105 0.738 -2.480 1.00 0.00 C HETATM 38 C27 UNL 1 8.946 1.774 -2.152 1.00 0.00 C HETATM 39 C28 UNL 1 10.285 1.761 -2.557 1.00 0.00 C HETATM 40 C29 UNL 1 10.811 0.731 -3.285 1.00 0.00 C HETATM 41 O12 UNL 1 12.159 0.710 -3.696 1.00 0.00 O HETATM 42 C30 UNL 1 9.978 -0.323 -3.626 1.00 0.00 C HETATM 43 C31 UNL 1 8.658 -0.306 -3.225 1.00 0.00 C HETATM 44 C32 UNL 1 3.288 -1.053 0.861 1.00 0.00 C HETATM 45 O13 UNL 1 3.793 -0.809 2.134 1.00 0.00 O HETATM 46 C33 UNL 1 2.518 -2.355 0.901 1.00 0.00 C HETATM 47 O14 UNL 1 1.923 -2.675 -0.302 1.00 0.00 O HETATM 48 C34 UNL 1 1.470 -2.159 1.955 1.00 0.00 C HETATM 49 O15 UNL 1 2.164 -1.992 3.183 1.00 0.00 O HETATM 50 C35 UNL 1 -2.298 -2.179 2.830 1.00 0.00 C HETATM 51 O16 UNL 1 -2.888 -3.043 1.899 1.00 0.00 O HETATM 52 C36 UNL 1 -3.300 -1.738 3.819 1.00 0.00 C HETATM 53 O17 UNL 1 -3.100 -2.426 5.023 1.00 0.00 O HETATM 54 H1 UNL 1 -4.309 -0.291 5.962 1.00 0.00 H HETATM 55 H2 UNL 1 -5.387 -0.609 4.599 1.00 0.00 H HETATM 56 H3 UNL 1 -4.822 1.128 4.920 1.00 0.00 H HETATM 57 H4 UNL 1 -2.466 -0.021 4.693 1.00 0.00 H HETATM 58 H5 UNL 1 -2.291 0.890 1.317 1.00 0.00 H HETATM 59 H6 UNL 1 -2.687 -1.745 -0.454 1.00 0.00 H HETATM 60 H7 UNL 1 -0.847 -2.680 -1.701 1.00 0.00 H HETATM 61 H8 UNL 1 -0.131 -2.596 -4.725 1.00 0.00 H HETATM 62 H9 UNL 1 -1.476 0.172 -4.746 1.00 0.00 H HETATM 63 H10 UNL 1 -3.353 1.158 -3.456 1.00 0.00 H HETATM 64 H11 UNL 1 -6.564 2.944 -3.097 1.00 0.00 H HETATM 65 H12 UNL 1 -8.468 4.558 -3.275 1.00 0.00 H HETATM 66 H13 UNL 1 -9.037 3.990 0.209 1.00 0.00 H HETATM 67 H14 UNL 1 -8.555 2.973 2.305 1.00 0.00 H HETATM 68 H15 UNL 1 -1.104 -0.477 3.053 1.00 0.00 H HETATM 69 H16 UNL 1 0.557 -0.423 2.693 1.00 0.00 H HETATM 70 H17 UNL 1 2.762 0.988 0.928 1.00 0.00 H HETATM 71 H18 UNL 1 2.029 1.173 -1.418 1.00 0.00 H HETATM 72 H19 UNL 1 2.151 -0.588 -1.633 1.00 0.00 H HETATM 73 H20 UNL 1 6.685 2.434 -0.989 1.00 0.00 H HETATM 74 H21 UNL 1 6.090 -0.159 -2.401 1.00 0.00 H HETATM 75 H22 UNL 1 8.589 2.613 -1.581 1.00 0.00 H HETATM 76 H23 UNL 1 10.917 2.611 -2.272 1.00 0.00 H HETATM 77 H24 UNL 1 12.523 -0.053 -4.224 1.00 0.00 H HETATM 78 H25 UNL 1 10.401 -1.138 -4.205 1.00 0.00 H HETATM 79 H26 UNL 1 7.976 -1.130 -3.480 1.00 0.00 H HETATM 80 H27 UNL 1 4.115 -1.160 0.164 1.00 0.00 H HETATM 81 H28 UNL 1 3.853 0.168 2.343 1.00 0.00 H HETATM 82 H29 UNL 1 3.235 -3.146 1.199 1.00 0.00 H HETATM 83 H30 UNL 1 2.017 -3.648 -0.488 1.00 0.00 H HETATM 84 H31 UNL 1 0.913 -3.132 2.005 1.00 0.00 H HETATM 85 H32 UNL 1 1.545 -1.740 3.918 1.00 0.00 H HETATM 86 H33 UNL 1 -1.485 -2.746 3.354 1.00 0.00 H HETATM 87 H34 UNL 1 -3.578 -3.579 2.362 1.00 0.00 H HETATM 88 H35 UNL 1 -4.323 -2.044 3.467 1.00 0.00 H HETATM 89 H36 UNL 1 -2.968 -3.383 4.888 1.00 0.00 H CONECT 1 2 54 55 56 CONECT 2 3 52 57 CONECT 3 4 CONECT 4 5 26 58 CONECT 5 6 CONECT 6 7 7 24 CONECT 7 8 15 CONECT 8 9 9 14 CONECT 9 10 59 CONECT 10 11 11 60 CONECT 11 12 13 CONECT 12 61 CONECT 13 14 14 62 CONECT 14 63 CONECT 15 16 CONECT 16 17 17 23 CONECT 17 18 64 CONECT 18 19 20 20 CONECT 19 65 CONECT 20 21 66 CONECT 21 22 23 23 CONECT 22 67 CONECT 23 24 CONECT 24 25 25 CONECT 26 27 50 68 CONECT 27 28 CONECT 28 29 48 69 CONECT 29 30 CONECT 30 31 44 70 CONECT 31 32 71 72 CONECT 32 33 CONECT 33 34 34 35 CONECT 35 36 36 73 CONECT 36 37 74 CONECT 37 38 38 43 CONECT 38 39 75 CONECT 39 40 40 76 CONECT 40 41 42 CONECT 41 77 CONECT 42 43 43 78 CONECT 43 79 CONECT 44 45 46 80 CONECT 45 81 CONECT 46 47 48 82 CONECT 47 83 CONECT 48 49 84 CONECT 49 85 CONECT 50 51 52 86 CONECT 51 87 CONECT 52 53 88 CONECT 53 89 END