COMPND HMDB0015332 HETATM 1 C1 UNL 1 -5.665 4.455 -0.898 1.00 0.00 C HETATM 2 O1 UNL 1 -4.502 3.792 -0.792 1.00 0.00 O HETATM 3 C2 UNL 1 -4.204 2.804 -1.658 1.00 0.00 C HETATM 4 C3 UNL 1 -2.911 3.032 -2.403 1.00 0.00 C HETATM 5 C4 UNL 1 -2.224 4.169 -2.217 1.00 0.00 C HETATM 6 O2 UNL 1 -2.117 4.672 -1.000 1.00 0.00 O HETATM 7 C5 UNL 1 -1.289 5.245 -0.108 1.00 0.00 C HETATM 8 C6 UNL 1 -1.079 6.717 -0.413 1.00 0.00 C HETATM 9 O3 UNL 1 -1.715 5.227 1.241 1.00 0.00 O HETATM 10 C7 UNL 1 -1.412 3.944 1.715 1.00 0.00 C HETATM 11 C8 UNL 1 -2.066 3.201 2.676 1.00 0.00 C HETATM 12 C9 UNL 1 -3.256 3.722 3.386 1.00 0.00 C HETATM 13 C10 UNL 1 -1.585 1.968 2.978 1.00 0.00 C HETATM 14 O4 UNL 1 -2.230 1.201 3.945 1.00 0.00 O HETATM 15 C11 UNL 1 -0.433 1.490 2.298 1.00 0.00 C HETATM 16 C12 UNL 1 -0.032 0.192 2.735 1.00 0.00 C HETATM 17 O5 UNL 1 -0.835 -0.376 3.706 1.00 0.00 O HETATM 18 C13 UNL 1 1.099 -0.387 2.162 1.00 0.00 C HETATM 19 C14 UNL 1 1.781 0.306 1.200 1.00 0.00 C HETATM 20 C15 UNL 1 2.963 -0.059 0.364 1.00 0.00 C HETATM 21 N1 UNL 1 3.701 -1.045 0.239 1.00 0.00 N HETATM 22 N2 UNL 1 4.760 -1.050 -0.674 1.00 0.00 N HETATM 23 C16 UNL 1 4.602 -1.274 -2.079 1.00 0.00 C HETATM 24 C17 UNL 1 5.839 -1.327 -2.894 1.00 0.00 C HETATM 25 N3 UNL 1 7.065 -1.618 -2.236 1.00 0.00 N HETATM 26 C18 UNL 1 8.093 -0.641 -2.462 1.00 0.00 C HETATM 27 C19 UNL 1 8.497 -0.548 -3.904 1.00 0.00 C HETATM 28 C20 UNL 1 10.015 -0.531 -3.927 1.00 0.00 C HETATM 29 C21 UNL 1 10.427 -0.297 -2.507 1.00 0.00 C HETATM 30 C22 UNL 1 9.343 -1.068 -1.736 1.00 0.00 C HETATM 31 C23 UNL 1 6.921 -1.982 -0.852 1.00 0.00 C HETATM 32 C24 UNL 1 6.145 -0.816 -0.224 1.00 0.00 C HETATM 33 C25 UNL 1 1.347 1.618 0.781 1.00 0.00 C HETATM 34 O6 UNL 1 2.247 2.022 -0.186 1.00 0.00 O HETATM 35 C26 UNL 1 0.230 2.216 1.338 1.00 0.00 C HETATM 36 C27 UNL 1 -0.310 3.474 1.071 1.00 0.00 C HETATM 37 C28 UNL 1 0.038 4.559 0.175 1.00 0.00 C HETATM 38 O7 UNL 1 1.023 5.075 -0.395 1.00 0.00 O HETATM 39 N4 UNL 1 1.518 -1.696 2.625 1.00 0.00 N HETATM 40 C29 UNL 1 2.155 -2.476 3.261 1.00 0.00 C HETATM 41 O8 UNL 1 3.561 -2.788 3.038 1.00 0.00 O HETATM 42 C30 UNL 1 1.619 -3.253 4.386 1.00 0.00 C HETATM 43 C31 UNL 1 2.213 -3.184 5.775 1.00 0.00 C HETATM 44 C32 UNL 1 0.558 -4.089 4.229 1.00 0.00 C HETATM 45 C33 UNL 1 -0.089 -4.387 2.924 1.00 0.00 C HETATM 46 C34 UNL 1 -0.969 -3.735 2.244 1.00 0.00 C HETATM 47 C35 UNL 1 -2.287 -4.046 1.582 1.00 0.00 C HETATM 48 C36 UNL 1 -2.672 -5.475 1.423 1.00 0.00 C HETATM 49 C37 UNL 1 -2.303 -3.441 0.202 1.00 0.00 C HETATM 50 O9 UNL 1 -1.207 -2.532 0.205 1.00 0.00 O HETATM 51 C38 UNL 1 -3.524 -2.716 -0.251 1.00 0.00 C HETATM 52 C39 UNL 1 -4.427 -2.373 0.916 1.00 0.00 C HETATM 53 C40 UNL 1 -3.150 -1.471 -1.018 1.00 0.00 C HETATM 54 O10 UNL 1 -1.903 -1.770 -1.609 1.00 0.00 O HETATM 55 C41 UNL 1 -4.013 -0.929 -2.044 1.00 0.00 C HETATM 56 C42 UNL 1 -5.028 -1.970 -2.461 1.00 0.00 C HETATM 57 C43 UNL 1 -4.768 0.317 -1.750 1.00 0.00 C HETATM 58 O11 UNL 1 -5.358 0.774 -2.974 1.00 0.00 O HETATM 59 C44 UNL 1 -6.691 0.736 -3.264 1.00 0.00 C HETATM 60 C45 UNL 1 -7.114 1.262 -4.595 1.00 0.00 C HETATM 61 O12 UNL 1 -7.467 0.278 -2.423 1.00 0.00 O HETATM 62 C46 UNL 1 -4.167 1.421 -1.047 1.00 0.00 C HETATM 63 C47 UNL 1 -4.824 1.568 0.310 1.00 0.00 C HETATM 64 H1 UNL 1 -5.832 5.008 -1.873 1.00 0.00 H HETATM 65 H2 UNL 1 -6.577 3.895 -0.575 1.00 0.00 H HETATM 66 H3 UNL 1 -5.619 5.312 -0.154 1.00 0.00 H HETATM 67 H4 UNL 1 -5.078 2.757 -2.344 1.00 0.00 H HETATM 68 H5 UNL 1 -2.537 2.281 -3.075 1.00 0.00 H HETATM 69 H6 UNL 1 -1.815 4.554 -3.192 1.00 0.00 H HETATM 70 H7 UNL 1 -1.845 7.357 0.074 1.00 0.00 H HETATM 71 H8 UNL 1 -0.089 7.069 -0.030 1.00 0.00 H HETATM 72 H9 UNL 1 -1.121 6.959 -1.494 1.00 0.00 H HETATM 73 H10 UNL 1 -3.567 4.674 2.942 1.00 0.00 H HETATM 74 H11 UNL 1 -2.944 3.965 4.425 1.00 0.00 H HETATM 75 H12 UNL 1 -4.074 2.974 3.445 1.00 0.00 H HETATM 76 H13 UNL 1 -3.037 1.538 4.427 1.00 0.00 H HETATM 77 H14 UNL 1 -1.419 -0.633 4.319 1.00 0.00 H HETATM 78 H15 UNL 1 3.285 0.750 -0.364 1.00 0.00 H HETATM 79 H16 UNL 1 3.893 -0.504 -2.500 1.00 0.00 H HETATM 80 H17 UNL 1 4.093 -2.280 -2.196 1.00 0.00 H HETATM 81 H18 UNL 1 5.725 -2.048 -3.756 1.00 0.00 H HETATM 82 H19 UNL 1 5.962 -0.292 -3.351 1.00 0.00 H HETATM 83 H20 UNL 1 7.847 0.376 -2.105 1.00 0.00 H HETATM 84 H21 UNL 1 8.073 0.341 -4.394 1.00 0.00 H HETATM 85 H22 UNL 1 8.162 -1.417 -4.499 1.00 0.00 H HETATM 86 H23 UNL 1 10.410 -1.480 -4.364 1.00 0.00 H HETATM 87 H24 UNL 1 10.366 0.284 -4.602 1.00 0.00 H HETATM 88 H25 UNL 1 11.434 -0.757 -2.325 1.00 0.00 H HETATM 89 H26 UNL 1 10.428 0.781 -2.272 1.00 0.00 H HETATM 90 H27 UNL 1 9.574 -2.144 -1.890 1.00 0.00 H HETATM 91 H28 UNL 1 9.372 -0.741 -0.679 1.00 0.00 H HETATM 92 H29 UNL 1 7.871 -2.089 -0.340 1.00 0.00 H HETATM 93 H30 UNL 1 6.275 -2.871 -0.818 1.00 0.00 H HETATM 94 H31 UNL 1 6.454 0.134 -0.646 1.00 0.00 H HETATM 95 H32 UNL 1 6.256 -0.904 0.858 1.00 0.00 H HETATM 96 H33 UNL 1 2.593 2.583 -0.802 1.00 0.00 H HETATM 97 H34 UNL 1 4.266 -2.215 3.439 1.00 0.00 H HETATM 98 H35 UNL 1 2.001 -2.266 6.312 1.00 0.00 H HETATM 99 H36 UNL 1 3.339 -3.220 5.696 1.00 0.00 H HETATM 100 H37 UNL 1 1.942 -4.050 6.368 1.00 0.00 H HETATM 101 H38 UNL 1 0.197 -4.577 5.159 1.00 0.00 H HETATM 102 H39 UNL 1 0.341 -5.404 2.525 1.00 0.00 H HETATM 103 H40 UNL 1 -0.835 -2.597 1.968 1.00 0.00 H HETATM 104 H41 UNL 1 -3.074 -3.626 2.277 1.00 0.00 H HETATM 105 H42 UNL 1 -2.661 -6.076 2.348 1.00 0.00 H HETATM 106 H43 UNL 1 -3.733 -5.468 1.033 1.00 0.00 H HETATM 107 H44 UNL 1 -2.086 -5.956 0.592 1.00 0.00 H HETATM 108 H45 UNL 1 -2.019 -4.206 -0.526 1.00 0.00 H HETATM 109 H46 UNL 1 -0.370 -2.958 -0.101 1.00 0.00 H HETATM 110 H47 UNL 1 -4.089 -3.364 -0.924 1.00 0.00 H HETATM 111 H48 UNL 1 -5.080 -1.511 0.557 1.00 0.00 H HETATM 112 H49 UNL 1 -3.907 -1.948 1.791 1.00 0.00 H HETATM 113 H50 UNL 1 -5.092 -3.169 1.251 1.00 0.00 H HETATM 114 H51 UNL 1 -2.913 -0.640 -0.286 1.00 0.00 H HETATM 115 H52 UNL 1 -1.736 -1.035 -2.259 1.00 0.00 H HETATM 116 H53 UNL 1 -3.377 -0.701 -2.966 1.00 0.00 H HETATM 117 H54 UNL 1 -5.670 -2.304 -1.621 1.00 0.00 H HETATM 118 H55 UNL 1 -5.636 -1.616 -3.331 1.00 0.00 H HETATM 119 H56 UNL 1 -4.550 -2.911 -2.851 1.00 0.00 H HETATM 120 H57 UNL 1 -5.650 -0.025 -1.170 1.00 0.00 H HETATM 121 H58 UNL 1 -6.251 1.440 -5.257 1.00 0.00 H HETATM 122 H59 UNL 1 -7.866 0.563 -5.055 1.00 0.00 H HETATM 123 H60 UNL 1 -7.659 2.208 -4.428 1.00 0.00 H HETATM 124 H61 UNL 1 -3.095 1.227 -0.842 1.00 0.00 H HETATM 125 H62 UNL 1 -5.953 1.500 0.239 1.00 0.00 H HETATM 126 H63 UNL 1 -4.554 0.774 1.012 1.00 0.00 H HETATM 127 H64 UNL 1 -4.688 2.591 0.743 1.00 0.00 H CONECT 1 2 64 65 66 CONECT 2 3 CONECT 3 4 62 67 CONECT 4 5 5 68 CONECT 5 6 69 CONECT 6 7 CONECT 7 8 9 37 CONECT 8 70 71 72 CONECT 9 10 CONECT 10 11 11 36 CONECT 11 12 13 CONECT 12 73 74 75 CONECT 13 14 15 15 CONECT 14 76 CONECT 15 16 35 CONECT 16 17 18 18 CONECT 17 77 CONECT 18 19 39 CONECT 19 20 33 33 CONECT 20 21 21 78 CONECT 21 22 CONECT 22 23 32 CONECT 23 24 79 80 CONECT 24 25 81 82 CONECT 25 26 31 CONECT 26 27 30 83 CONECT 27 28 84 85 CONECT 28 29 86 87 CONECT 29 30 88 89 CONECT 30 90 91 CONECT 31 32 92 93 CONECT 32 94 95 CONECT 33 34 35 CONECT 34 96 CONECT 35 36 36 CONECT 36 37 CONECT 37 38 38 CONECT 39 40 40 CONECT 40 41 42 CONECT 41 97 CONECT 42 43 44 44 CONECT 43 98 99 100 CONECT 44 45 101 CONECT 45 46 46 102 CONECT 46 47 103 CONECT 47 48 49 104 CONECT 48 105 106 107 CONECT 49 50 51 108 CONECT 50 109 CONECT 51 52 53 110 CONECT 52 111 112 113 CONECT 53 54 55 114 CONECT 54 115 CONECT 55 56 57 116 CONECT 56 117 118 119 CONECT 57 58 62 120 CONECT 58 59 CONECT 59 60 61 61 CONECT 60 121 122 123 CONECT 62 63 124 CONECT 63 125 126 127 END