COMPND HMDB0260009 HETATM 1 C1 UNL 1 5.622 0.634 2.876 1.00 0.00 C HETATM 2 C2 UNL 1 4.520 1.091 1.963 1.00 0.00 C HETATM 3 C3 UNL 1 3.658 2.104 2.265 1.00 0.00 C HETATM 4 C4 UNL 1 2.785 2.238 1.159 1.00 0.00 C HETATM 5 N1 UNL 1 3.122 1.338 0.222 1.00 0.00 N HETATM 6 C5 UNL 1 4.161 0.623 0.681 1.00 0.00 C HETATM 7 C6 UNL 1 4.830 -0.590 0.106 1.00 0.00 C HETATM 8 C7 UNL 1 4.081 -1.589 -0.470 1.00 0.00 C HETATM 9 C8 UNL 1 4.426 -2.110 -1.709 1.00 0.00 C HETATM 10 C9 UNL 1 3.361 -2.903 -2.079 1.00 0.00 C HETATM 11 C10 UNL 1 3.269 -3.703 -3.356 1.00 0.00 C HETATM 12 C11 UNL 1 2.453 -2.801 -1.037 1.00 0.00 C HETATM 13 N2 UNL 1 2.881 -2.011 -0.035 1.00 0.00 N HETATM 14 C12 UNL 1 1.178 -3.304 -1.158 1.00 0.00 C HETATM 15 C13 UNL 1 -0.006 -2.480 -0.756 1.00 0.00 C HETATM 16 N3 UNL 1 -0.257 -1.172 -0.932 1.00 0.00 N HETATM 17 C14 UNL 1 -1.382 -0.864 -0.268 1.00 0.00 C HETATM 18 C15 UNL 1 -1.893 -2.027 0.354 1.00 0.00 C HETATM 19 C16 UNL 1 -3.122 -2.211 1.177 1.00 0.00 C HETATM 20 C17 UNL 1 -4.343 -2.261 0.267 1.00 0.00 C HETATM 21 C18 UNL 1 -5.587 -2.443 1.044 1.00 0.00 C HETATM 22 O1 UNL 1 -6.689 -2.509 0.484 1.00 0.00 O HETATM 23 O2 UNL 1 -5.519 -2.540 2.424 1.00 0.00 O HETATM 24 C19 UNL 1 -1.024 -3.036 0.043 1.00 0.00 C HETATM 25 C20 UNL 1 -1.198 -4.466 0.498 1.00 0.00 C HETATM 26 C21 UNL 1 -2.028 0.467 -0.020 1.00 0.00 C HETATM 27 C22 UNL 1 -1.263 1.575 0.273 1.00 0.00 C HETATM 28 N4 UNL 1 -0.149 1.560 1.028 1.00 0.00 N HETATM 29 C23 UNL 1 0.370 2.785 0.828 1.00 0.00 C HETATM 30 C24 UNL 1 -0.400 3.571 -0.015 1.00 0.00 C HETATM 31 C25 UNL 1 -0.192 4.991 -0.471 1.00 0.00 C HETATM 32 C26 UNL 1 -1.469 2.780 -0.378 1.00 0.00 C HETATM 33 C27 UNL 1 -2.603 3.210 -1.280 1.00 0.00 C HETATM 34 C28 UNL 1 -3.755 3.537 -0.356 1.00 0.00 C HETATM 35 C29 UNL 1 -4.955 3.977 -1.122 1.00 0.00 C HETATM 36 O3 UNL 1 -6.013 4.286 -0.523 1.00 0.00 O HETATM 37 O4 UNL 1 -4.862 4.031 -2.494 1.00 0.00 O HETATM 38 C30 UNL 1 1.625 3.185 1.226 1.00 0.00 C HETATM 39 H1 UNL 1 5.279 0.658 3.930 1.00 0.00 H HETATM 40 H2 UNL 1 5.830 -0.429 2.644 1.00 0.00 H HETATM 41 H3 UNL 1 6.551 1.230 2.715 1.00 0.00 H HETATM 42 H4 UNL 1 3.683 2.679 3.198 1.00 0.00 H HETATM 43 H5 UNL 1 2.655 1.242 -0.797 1.00 0.00 H HETATM 44 H6 UNL 1 5.904 -0.708 0.127 1.00 0.00 H HETATM 45 H7 UNL 1 5.343 -1.959 -2.304 1.00 0.00 H HETATM 46 H8 UNL 1 4.249 -4.188 -3.555 1.00 0.00 H HETATM 47 H9 UNL 1 2.566 -4.551 -3.117 1.00 0.00 H HETATM 48 H10 UNL 1 2.904 -3.077 -4.170 1.00 0.00 H HETATM 49 H11 UNL 1 2.407 -1.833 0.943 1.00 0.00 H HETATM 50 H12 UNL 1 1.064 -4.305 -1.552 1.00 0.00 H HETATM 51 H13 UNL 1 0.340 -0.471 -1.577 1.00 0.00 H HETATM 52 H14 UNL 1 -3.022 -3.102 1.790 1.00 0.00 H HETATM 53 H15 UNL 1 -3.231 -1.277 1.769 1.00 0.00 H HETATM 54 H16 UNL 1 -4.459 -1.347 -0.335 1.00 0.00 H HETATM 55 H17 UNL 1 -4.223 -3.094 -0.486 1.00 0.00 H HETATM 56 H18 UNL 1 -5.381 -3.402 2.913 1.00 0.00 H HETATM 57 H19 UNL 1 -0.830 -4.607 1.524 1.00 0.00 H HETATM 58 H20 UNL 1 -2.290 -4.709 0.507 1.00 0.00 H HETATM 59 H21 UNL 1 -0.637 -5.097 -0.200 1.00 0.00 H HETATM 60 H22 UNL 1 -3.101 0.593 -0.067 1.00 0.00 H HETATM 61 H23 UNL 1 0.201 0.773 1.720 1.00 0.00 H HETATM 62 H24 UNL 1 0.765 5.366 -0.089 1.00 0.00 H HETATM 63 H25 UNL 1 -0.997 5.572 0.037 1.00 0.00 H HETATM 64 H26 UNL 1 -0.350 5.097 -1.544 1.00 0.00 H HETATM 65 H27 UNL 1 -2.301 4.089 -1.846 1.00 0.00 H HETATM 66 H28 UNL 1 -2.840 2.331 -1.893 1.00 0.00 H HETATM 67 H29 UNL 1 -3.999 2.742 0.363 1.00 0.00 H HETATM 68 H30 UNL 1 -3.468 4.419 0.292 1.00 0.00 H HETATM 69 H31 UNL 1 -3.989 4.203 -2.984 1.00 0.00 H HETATM 70 H32 UNL 1 1.744 4.200 1.582 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 6 6 CONECT 3 4 4 42 CONECT 4 5 38 CONECT 5 6 43 CONECT 6 7 CONECT 7 8 8 44 CONECT 8 9 13 CONECT 9 10 10 45 CONECT 10 11 12 CONECT 11 46 47 48 CONECT 12 13 14 14 CONECT 13 49 CONECT 14 15 50 CONECT 15 16 24 24 CONECT 16 17 51 CONECT 17 18 18 26 CONECT 18 19 24 CONECT 19 20 52 53 CONECT 20 21 54 55 CONECT 21 22 22 23 CONECT 23 56 CONECT 24 25 CONECT 25 57 58 59 CONECT 26 27 27 60 CONECT 27 28 32 CONECT 28 29 61 CONECT 29 30 38 38 CONECT 30 31 32 32 CONECT 31 62 63 64 CONECT 32 33 CONECT 33 34 65 66 CONECT 34 35 67 68 CONECT 35 36 36 37 CONECT 37 69 CONECT 38 70 END