COMPND HMDB0035940 HETATM 1 C1 UNL 1 -8.397 -0.013 3.713 1.00 0.00 C HETATM 2 C2 UNL 1 -7.730 0.831 2.704 1.00 0.00 C HETATM 3 C3 UNL 1 -8.608 1.795 1.929 1.00 0.00 C HETATM 4 C4 UNL 1 -6.470 0.801 2.393 1.00 0.00 C HETATM 5 C5 UNL 1 -5.467 -0.119 3.006 1.00 0.00 C HETATM 6 C6 UNL 1 -4.935 -1.018 1.911 1.00 0.00 C HETATM 7 C7 UNL 1 -5.674 -2.159 1.669 1.00 0.00 C HETATM 8 O1 UNL 1 -6.751 -2.557 2.441 1.00 0.00 O HETATM 9 C8 UNL 1 -5.281 -2.924 0.590 1.00 0.00 C HETATM 10 C9 UNL 1 -4.228 -2.577 -0.195 1.00 0.00 C HETATM 11 C10 UNL 1 -3.447 -1.408 0.022 1.00 0.00 C HETATM 12 C11 UNL 1 -2.449 -1.081 -0.914 1.00 0.00 C HETATM 13 O2 UNL 1 -2.194 -1.951 -1.813 1.00 0.00 O HETATM 14 C12 UNL 1 -1.628 0.151 -1.030 1.00 0.00 C HETATM 15 C13 UNL 1 -0.505 -0.063 -1.931 1.00 0.00 C HETATM 16 C14 UNL 1 0.853 -0.400 -1.373 1.00 0.00 C HETATM 17 C15 UNL 1 1.776 -0.967 -2.280 1.00 0.00 C HETATM 18 O3 UNL 1 1.316 -1.243 -3.555 1.00 0.00 O HETATM 19 C16 UNL 1 3.074 -1.243 -1.927 1.00 0.00 C HETATM 20 C17 UNL 1 3.547 -0.985 -0.665 1.00 0.00 C HETATM 21 C18 UNL 1 4.972 -1.217 -0.337 1.00 0.00 C HETATM 22 C19 UNL 1 5.929 -1.493 -1.296 1.00 0.00 C HETATM 23 C20 UNL 1 7.146 -1.636 -0.650 1.00 0.00 C HETATM 24 C21 UNL 1 8.444 -1.907 -1.100 1.00 0.00 C HETATM 25 C22 UNL 1 9.433 -1.979 -0.161 1.00 0.00 C HETATM 26 C23 UNL 1 9.146 -1.787 1.188 1.00 0.00 C HETATM 27 O4 UNL 1 10.195 -1.874 2.129 1.00 0.00 O HETATM 28 C24 UNL 1 7.873 -1.520 1.618 1.00 0.00 C HETATM 29 C25 UNL 1 7.502 -1.364 3.021 1.00 0.00 C HETATM 30 C26 UNL 1 7.777 -0.058 3.624 1.00 0.00 C HETATM 31 C27 UNL 1 8.269 1.047 3.174 1.00 0.00 C HETATM 32 C28 UNL 1 8.377 2.190 4.173 1.00 0.00 C HETATM 33 C29 UNL 1 8.756 1.378 1.817 1.00 0.00 C HETATM 34 C30 UNL 1 6.852 -1.441 0.675 1.00 0.00 C HETATM 35 O5 UNL 1 5.564 -1.196 0.819 1.00 0.00 O HETATM 36 C31 UNL 1 2.654 -0.441 0.216 1.00 0.00 C HETATM 37 C32 UNL 1 1.318 -0.148 -0.125 1.00 0.00 C HETATM 38 O6 UNL 1 0.514 0.405 0.861 1.00 0.00 O HETATM 39 C33 UNL 1 -0.288 0.889 -3.054 1.00 0.00 C HETATM 40 C34 UNL 1 -0.742 2.154 -2.959 1.00 0.00 C HETATM 41 C35 UNL 1 -0.536 3.100 -4.050 1.00 0.00 C HETATM 42 C36 UNL 1 -1.397 2.408 -1.697 1.00 0.00 C HETATM 43 C37 UNL 1 -2.483 1.389 -1.422 1.00 0.00 C HETATM 44 C38 UNL 1 -3.482 1.148 -2.407 1.00 0.00 C HETATM 45 C39 UNL 1 -3.291 0.652 -3.652 1.00 0.00 C HETATM 46 C40 UNL 1 -4.365 0.353 -4.547 1.00 0.00 C HETATM 47 C41 UNL 1 -5.637 0.559 -4.171 1.00 0.00 C HETATM 48 O7 UNL 1 -6.721 0.278 -5.022 1.00 0.00 O HETATM 49 C42 UNL 1 -5.882 1.058 -2.919 1.00 0.00 C HETATM 50 C43 UNL 1 -4.853 1.339 -2.075 1.00 0.00 C HETATM 51 O8 UNL 1 -5.124 1.839 -0.835 1.00 0.00 O HETATM 52 C44 UNL 1 -3.874 -0.671 1.123 1.00 0.00 C HETATM 53 O9 UNL 1 -3.184 0.457 1.429 1.00 0.00 O HETATM 54 H1 UNL 1 -8.792 -0.948 3.265 1.00 0.00 H HETATM 55 H2 UNL 1 -7.741 -0.202 4.580 1.00 0.00 H HETATM 56 H3 UNL 1 -9.271 0.565 4.146 1.00 0.00 H HETATM 57 H4 UNL 1 -9.058 1.184 1.100 1.00 0.00 H HETATM 58 H5 UNL 1 -8.038 2.653 1.537 1.00 0.00 H HETATM 59 H6 UNL 1 -9.430 2.180 2.554 1.00 0.00 H HETATM 60 H7 UNL 1 -6.057 1.489 1.637 1.00 0.00 H HETATM 61 H8 UNL 1 -4.676 0.448 3.506 1.00 0.00 H HETATM 62 H9 UNL 1 -5.968 -0.739 3.788 1.00 0.00 H HETATM 63 H10 UNL 1 -7.277 -3.402 2.234 1.00 0.00 H HETATM 64 H11 UNL 1 -5.875 -3.836 0.402 1.00 0.00 H HETATM 65 H12 UNL 1 -3.955 -3.211 -1.043 1.00 0.00 H HETATM 66 H13 UNL 1 -1.309 0.338 0.005 1.00 0.00 H HETATM 67 H14 UNL 1 -0.773 -1.033 -2.524 1.00 0.00 H HETATM 68 H15 UNL 1 1.952 -1.648 -4.227 1.00 0.00 H HETATM 69 H16 UNL 1 3.777 -1.687 -2.655 1.00 0.00 H HETATM 70 H17 UNL 1 5.778 -1.580 -2.374 1.00 0.00 H HETATM 71 H18 UNL 1 8.597 -2.045 -2.145 1.00 0.00 H HETATM 72 H19 UNL 1 10.463 -2.183 -0.401 1.00 0.00 H HETATM 73 H20 UNL 1 11.146 -2.082 1.836 1.00 0.00 H HETATM 74 H21 UNL 1 6.376 -1.500 3.126 1.00 0.00 H HETATM 75 H22 UNL 1 7.907 -2.209 3.653 1.00 0.00 H HETATM 76 H23 UNL 1 7.487 -0.048 4.743 1.00 0.00 H HETATM 77 H24 UNL 1 7.906 3.099 3.740 1.00 0.00 H HETATM 78 H25 UNL 1 7.811 1.888 5.082 1.00 0.00 H HETATM 79 H26 UNL 1 9.425 2.394 4.429 1.00 0.00 H HETATM 80 H27 UNL 1 8.866 2.509 1.726 1.00 0.00 H HETATM 81 H28 UNL 1 8.106 1.085 0.989 1.00 0.00 H HETATM 82 H29 UNL 1 9.790 0.989 1.718 1.00 0.00 H HETATM 83 H30 UNL 1 3.010 -0.225 1.236 1.00 0.00 H HETATM 84 H31 UNL 1 0.858 0.588 1.782 1.00 0.00 H HETATM 85 H32 UNL 1 0.221 0.577 -3.943 1.00 0.00 H HETATM 86 H33 UNL 1 -1.494 3.639 -4.313 1.00 0.00 H HETATM 87 H34 UNL 1 -0.104 2.651 -4.965 1.00 0.00 H HETATM 88 H35 UNL 1 0.163 3.909 -3.687 1.00 0.00 H HETATM 89 H36 UNL 1 -0.655 2.293 -0.880 1.00 0.00 H HETATM 90 H37 UNL 1 -1.765 3.448 -1.552 1.00 0.00 H HETATM 91 H38 UNL 1 -2.947 1.758 -0.473 1.00 0.00 H HETATM 92 H39 UNL 1 -2.370 0.396 -4.086 1.00 0.00 H HETATM 93 H40 UNL 1 -4.141 -0.062 -5.534 1.00 0.00 H HETATM 94 H41 UNL 1 -7.177 -0.610 -5.055 1.00 0.00 H HETATM 95 H42 UNL 1 -6.921 1.224 -2.635 1.00 0.00 H HETATM 96 H43 UNL 1 -6.113 2.028 -0.594 1.00 0.00 H HETATM 97 H44 UNL 1 -3.394 1.068 2.185 1.00 0.00 H CONECT 1 2 54 55 56 CONECT 2 3 4 4 CONECT 3 57 58 59 CONECT 4 5 60 CONECT 5 6 61 62 CONECT 6 7 7 52 CONECT 7 8 9 CONECT 8 63 CONECT 9 10 10 64 CONECT 10 11 65 CONECT 11 12 52 52 CONECT 12 13 13 14 CONECT 14 15 43 66 CONECT 15 16 39 67 CONECT 16 17 17 37 CONECT 17 18 19 CONECT 18 68 CONECT 19 20 20 69 CONECT 20 21 36 CONECT 21 22 22 35 CONECT 22 23 70 CONECT 23 24 24 34 CONECT 24 25 71 CONECT 25 26 26 72 CONECT 26 27 28 CONECT 27 73 CONECT 28 29 34 34 CONECT 29 30 74 75 CONECT 30 31 31 76 CONECT 31 32 33 CONECT 32 77 78 79 CONECT 33 80 81 82 CONECT 34 35 CONECT 36 37 37 83 CONECT 37 38 CONECT 38 84 CONECT 39 40 40 85 CONECT 40 41 42 CONECT 41 86 87 88 CONECT 42 43 89 90 CONECT 43 44 91 CONECT 44 45 45 50 CONECT 45 46 92 CONECT 46 47 47 93 CONECT 47 48 49 CONECT 48 94 CONECT 49 50 50 95 CONECT 50 51 CONECT 51 96 CONECT 52 53 CONECT 53 97 END