COMPND HMDB0303740 HETATM 1 O1 UNL 1 2.372 1.957 -0.829 1.00 0.00 O HETATM 2 C1 UNL 1 2.078 0.744 -0.886 1.00 0.00 C HETATM 3 C2 UNL 1 3.086 -0.210 -1.078 1.00 0.00 C HETATM 4 O2 UNL 1 4.396 0.299 -1.179 1.00 0.00 O HETATM 5 C3 UNL 1 5.187 0.506 -0.023 1.00 0.00 C HETATM 6 O3 UNL 1 6.336 -0.211 0.070 1.00 0.00 O HETATM 7 C4 UNL 1 7.419 0.149 -0.656 1.00 0.00 C HETATM 8 C5 UNL 1 8.718 -0.181 0.104 1.00 0.00 C HETATM 9 O4 UNL 1 8.815 0.465 1.308 1.00 0.00 O HETATM 10 C6 UNL 1 7.450 1.506 -1.254 1.00 0.00 C HETATM 11 O5 UNL 1 8.730 2.049 -0.973 1.00 0.00 O HETATM 12 C7 UNL 1 6.461 2.490 -0.737 1.00 0.00 C HETATM 13 O6 UNL 1 7.050 3.652 -0.226 1.00 0.00 O HETATM 14 C8 UNL 1 5.506 1.943 0.270 1.00 0.00 C HETATM 15 O7 UNL 1 6.148 1.931 1.540 1.00 0.00 O HETATM 16 C9 UNL 1 2.764 -1.534 -1.147 1.00 0.00 C HETATM 17 C10 UNL 1 3.730 -2.596 -1.349 1.00 0.00 C HETATM 18 C11 UNL 1 5.000 -2.405 -1.807 1.00 0.00 C HETATM 19 C12 UNL 1 5.848 -3.498 -1.911 1.00 0.00 C HETATM 20 C13 UNL 1 5.486 -4.764 -1.582 1.00 0.00 C HETATM 21 O8 UNL 1 6.337 -5.853 -1.689 1.00 0.00 O HETATM 22 C14 UNL 1 4.187 -4.980 -1.111 1.00 0.00 C HETATM 23 C15 UNL 1 3.353 -3.882 -1.012 1.00 0.00 C HETATM 24 O9 UNL 1 1.475 -1.872 -1.020 1.00 0.00 O HETATM 25 C16 UNL 1 0.511 -1.036 -0.840 1.00 0.00 C HETATM 26 C17 UNL 1 -0.789 -1.537 -0.724 1.00 0.00 C HETATM 27 C18 UNL 1 -1.820 -0.651 -0.532 1.00 0.00 C HETATM 28 O10 UNL 1 -3.112 -1.049 -0.410 1.00 0.00 O HETATM 29 C19 UNL 1 -3.690 -2.317 -0.460 1.00 0.00 C HETATM 30 O11 UNL 1 -4.594 -2.480 -1.466 1.00 0.00 O HETATM 31 C20 UNL 1 -5.918 -2.247 -1.145 1.00 0.00 C HETATM 32 C21 UNL 1 -6.814 -2.242 -2.356 1.00 0.00 C HETATM 33 O12 UNL 1 -8.120 -2.000 -1.907 1.00 0.00 O HETATM 34 C22 UNL 1 -6.425 -3.255 -0.133 1.00 0.00 C HETATM 35 O13 UNL 1 -7.254 -2.724 0.830 1.00 0.00 O HETATM 36 C23 UNL 1 -5.233 -3.899 0.569 1.00 0.00 C HETATM 37 O14 UNL 1 -5.638 -4.514 1.728 1.00 0.00 O HETATM 38 C24 UNL 1 -4.241 -2.788 0.839 1.00 0.00 C HETATM 39 O15 UNL 1 -4.967 -1.747 1.417 1.00 0.00 O HETATM 40 C25 UNL 1 -1.582 0.710 -0.454 1.00 0.00 C HETATM 41 O16 UNL 1 -2.577 1.655 -0.262 1.00 0.00 O HETATM 42 C26 UNL 1 -3.049 2.124 0.962 1.00 0.00 C HETATM 43 O17 UNL 1 -2.850 3.500 1.012 1.00 0.00 O HETATM 44 C27 UNL 1 -3.311 4.084 2.172 1.00 0.00 C HETATM 45 C28 UNL 1 -3.188 5.586 2.014 1.00 0.00 C HETATM 46 O18 UNL 1 -3.936 6.046 0.931 1.00 0.00 O HETATM 47 C29 UNL 1 -4.737 3.778 2.499 1.00 0.00 C HETATM 48 O19 UNL 1 -5.456 4.924 2.847 1.00 0.00 O HETATM 49 C30 UNL 1 -5.351 3.082 1.311 1.00 0.00 C HETATM 50 O20 UNL 1 -6.660 2.651 1.597 1.00 0.00 O HETATM 51 C31 UNL 1 -4.552 1.847 1.009 1.00 0.00 C HETATM 52 O21 UNL 1 -5.011 1.391 -0.248 1.00 0.00 O HETATM 53 C32 UNL 1 -0.278 1.217 -0.570 1.00 0.00 C HETATM 54 O22 UNL 1 -0.046 2.547 -0.493 1.00 0.00 O HETATM 55 C33 UNL 1 0.773 0.324 -0.765 1.00 0.00 C HETATM 56 H1 UNL 1 4.545 0.171 0.859 1.00 0.00 H HETATM 57 H2 UNL 1 7.472 -0.577 -1.534 1.00 0.00 H HETATM 58 H3 UNL 1 9.596 0.062 -0.525 1.00 0.00 H HETATM 59 H4 UNL 1 8.721 -1.295 0.224 1.00 0.00 H HETATM 60 H5 UNL 1 8.714 -0.218 2.031 1.00 0.00 H HETATM 61 H6 UNL 1 7.434 1.482 -2.385 1.00 0.00 H HETATM 62 H7 UNL 1 8.847 2.837 -1.563 1.00 0.00 H HETATM 63 H8 UNL 1 5.835 2.850 -1.605 1.00 0.00 H HETATM 64 H9 UNL 1 6.306 4.131 0.247 1.00 0.00 H HETATM 65 H10 UNL 1 4.612 2.565 0.396 1.00 0.00 H HETATM 66 H11 UNL 1 6.098 2.838 1.936 1.00 0.00 H HETATM 67 H12 UNL 1 5.388 -1.457 -2.123 1.00 0.00 H HETATM 68 H13 UNL 1 6.858 -3.333 -2.276 1.00 0.00 H HETATM 69 H14 UNL 1 6.946 -6.144 -0.911 1.00 0.00 H HETATM 70 H15 UNL 1 3.915 -5.974 -0.856 1.00 0.00 H HETATM 71 H16 UNL 1 2.342 -4.106 -0.637 1.00 0.00 H HETATM 72 H17 UNL 1 -0.913 -2.608 -0.793 1.00 0.00 H HETATM 73 H18 UNL 1 -2.839 -3.037 -0.696 1.00 0.00 H HETATM 74 H19 UNL 1 -5.982 -1.253 -0.670 1.00 0.00 H HETATM 75 H20 UNL 1 -6.794 -3.213 -2.892 1.00 0.00 H HETATM 76 H21 UNL 1 -6.493 -1.435 -3.045 1.00 0.00 H HETATM 77 H22 UNL 1 -8.390 -2.637 -1.209 1.00 0.00 H HETATM 78 H23 UNL 1 -6.956 -4.051 -0.670 1.00 0.00 H HETATM 79 H24 UNL 1 -7.103 -3.216 1.676 1.00 0.00 H HETATM 80 H25 UNL 1 -4.751 -4.582 -0.168 1.00 0.00 H HETATM 81 H26 UNL 1 -5.224 -5.422 1.757 1.00 0.00 H HETATM 82 H27 UNL 1 -3.484 -3.206 1.530 1.00 0.00 H HETATM 83 H28 UNL 1 -4.740 -1.590 2.365 1.00 0.00 H HETATM 84 H29 UNL 1 -2.543 1.643 1.840 1.00 0.00 H HETATM 85 H30 UNL 1 -2.687 3.805 3.039 1.00 0.00 H HETATM 86 H31 UNL 1 -2.122 5.881 1.809 1.00 0.00 H HETATM 87 H32 UNL 1 -3.483 6.144 2.930 1.00 0.00 H HETATM 88 H33 UNL 1 -4.470 6.844 1.214 1.00 0.00 H HETATM 89 H34 UNL 1 -4.803 3.070 3.357 1.00 0.00 H HETATM 90 H35 UNL 1 -6.362 4.675 3.140 1.00 0.00 H HETATM 91 H36 UNL 1 -5.331 3.768 0.452 1.00 0.00 H HETATM 92 H37 UNL 1 -7.216 3.473 1.607 1.00 0.00 H HETATM 93 H38 UNL 1 -4.733 1.062 1.752 1.00 0.00 H HETATM 94 H39 UNL 1 -4.860 2.168 -0.870 1.00 0.00 H HETATM 95 H40 UNL 1 0.635 3.196 -0.524 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 55 CONECT 3 4 16 16 CONECT 4 5 CONECT 5 6 14 56 CONECT 6 7 CONECT 7 8 10 57 CONECT 8 9 58 59 CONECT 9 60 CONECT 10 11 12 61 CONECT 11 62 CONECT 12 13 14 63 CONECT 13 64 CONECT 14 15 65 CONECT 15 66 CONECT 16 17 24 CONECT 17 18 18 23 CONECT 18 19 67 CONECT 19 20 20 68 CONECT 20 21 22 CONECT 21 69 CONECT 22 23 23 70 CONECT 23 71 CONECT 24 25 CONECT 25 26 26 55 CONECT 26 27 72 CONECT 27 28 40 40 CONECT 28 29 CONECT 29 30 38 73 CONECT 30 31 CONECT 31 32 34 74 CONECT 32 33 75 76 CONECT 33 77 CONECT 34 35 36 78 CONECT 35 79 CONECT 36 37 38 80 CONECT 37 81 CONECT 38 39 82 CONECT 39 83 CONECT 40 41 53 CONECT 41 42 CONECT 42 43 51 84 CONECT 43 44 CONECT 44 45 47 85 CONECT 45 46 86 87 CONECT 46 88 CONECT 47 48 49 89 CONECT 48 90 CONECT 49 50 51 91 CONECT 50 92 CONECT 51 52 93 CONECT 52 94 CONECT 53 54 55 55 CONECT 54 95 END