COMPND HMDB0257992 HETATM 1 N1 UNL 1 4.715 -6.544 2.163 1.00 0.00 N HETATM 2 C1 UNL 1 4.673 -5.129 1.974 1.00 0.00 C HETATM 3 N2 UNL 1 5.172 -4.298 2.902 1.00 0.00 N HETATM 4 C2 UNL 1 5.149 -2.956 2.756 1.00 0.00 C HETATM 5 N3 UNL 1 4.607 -2.454 1.640 1.00 0.00 N HETATM 6 C3 UNL 1 4.087 -3.239 0.665 1.00 0.00 C HETATM 7 C4 UNL 1 4.110 -4.599 0.814 1.00 0.00 C HETATM 8 N4 UNL 1 3.549 -5.146 -0.263 1.00 0.00 N HETATM 9 C5 UNL 1 3.176 -4.145 -1.080 1.00 0.00 C HETATM 10 N5 UNL 1 3.505 -2.971 -0.514 1.00 0.00 N HETATM 11 C6 UNL 1 3.274 -1.653 -1.074 1.00 0.00 C HETATM 12 O1 UNL 1 3.183 -0.691 -0.081 1.00 0.00 O HETATM 13 C7 UNL 1 3.604 0.514 -0.584 1.00 0.00 C HETATM 14 C8 UNL 1 2.443 1.431 -0.829 1.00 0.00 C HETATM 15 O2 UNL 1 1.746 1.680 0.354 1.00 0.00 O HETATM 16 P1 UNL 1 0.448 2.699 0.121 1.00 0.00 P HETATM 17 O3 UNL 1 0.447 3.697 1.283 1.00 0.00 O HETATM 18 O4 UNL 1 -1.024 1.925 -0.022 1.00 0.00 O HETATM 19 C9 UNL 1 -1.003 0.597 0.420 1.00 0.00 C HETATM 20 C10 UNL 1 -2.403 0.068 0.217 1.00 0.00 C HETATM 21 O5 UNL 1 -2.586 -1.227 0.594 1.00 0.00 O HETATM 22 C11 UNL 1 -3.589 -1.331 1.515 1.00 0.00 C HETATM 23 N6 UNL 1 -4.306 -2.560 1.512 1.00 0.00 N HETATM 24 C12 UNL 1 -5.579 -2.718 1.910 1.00 0.00 C HETATM 25 N7 UNL 1 -5.917 -4.031 1.762 1.00 0.00 N HETATM 26 C13 UNL 1 -4.872 -4.709 1.275 1.00 0.00 C HETATM 27 C14 UNL 1 -4.706 -6.038 0.955 1.00 0.00 C HETATM 28 N8 UNL 1 -5.747 -7.000 1.115 1.00 0.00 N HETATM 29 N9 UNL 1 -3.500 -6.403 0.476 1.00 0.00 N HETATM 30 C15 UNL 1 -2.497 -5.506 0.317 1.00 0.00 C HETATM 31 N10 UNL 1 -2.684 -4.200 0.639 1.00 0.00 N HETATM 32 C16 UNL 1 -3.855 -3.765 1.120 1.00 0.00 C HETATM 33 C17 UNL 1 -4.493 -0.131 1.206 1.00 0.00 C HETATM 34 O6 UNL 1 -5.107 -0.269 -0.032 1.00 0.00 O HETATM 35 C18 UNL 1 -3.395 0.920 1.017 1.00 0.00 C HETATM 36 O7 UNL 1 -2.912 1.237 2.267 1.00 0.00 O HETATM 37 O8 UNL 1 0.646 3.661 -1.282 1.00 0.00 O HETATM 38 P2 UNL 1 -0.786 4.593 -1.389 1.00 0.00 P HETATM 39 O9 UNL 1 -0.895 5.505 -0.175 1.00 0.00 O HETATM 40 O10 UNL 1 -2.148 3.592 -1.384 1.00 0.00 O HETATM 41 O11 UNL 1 -0.790 5.469 -2.826 1.00 0.00 O HETATM 42 P3 UNL 1 -0.484 7.100 -2.502 1.00 0.00 P HETATM 43 O12 UNL 1 0.998 7.220 -2.187 1.00 0.00 O HETATM 44 O13 UNL 1 -0.744 7.945 -3.959 1.00 0.00 O HETATM 45 O14 UNL 1 -1.432 7.708 -1.266 1.00 0.00 O HETATM 46 P4 UNL 1 -0.602 8.925 -0.447 1.00 0.00 P HETATM 47 O15 UNL 1 -0.177 8.417 0.927 1.00 0.00 O HETATM 48 O16 UNL 1 0.741 9.372 -1.372 1.00 0.00 O HETATM 49 O17 UNL 1 -1.561 10.303 -0.236 1.00 0.00 O HETATM 50 C19 UNL 1 4.347 0.264 -1.869 1.00 0.00 C HETATM 51 O18 UNL 1 3.560 0.515 -3.000 1.00 0.00 O HETATM 52 C20 UNL 1 4.556 -1.254 -1.789 1.00 0.00 C HETATM 53 O19 UNL 1 5.636 -1.553 -0.965 1.00 0.00 O HETATM 54 H1 UNL 1 3.883 -7.067 2.489 1.00 0.00 H HETATM 55 H2 UNL 1 5.625 -7.046 1.959 1.00 0.00 H HETATM 56 H3 UNL 1 5.567 -2.313 3.539 1.00 0.00 H HETATM 57 H4 UNL 1 2.689 -4.258 -2.041 1.00 0.00 H HETATM 58 H5 UNL 1 2.404 -1.629 -1.766 1.00 0.00 H HETATM 59 H6 UNL 1 4.308 0.953 0.183 1.00 0.00 H HETATM 60 H7 UNL 1 1.739 0.920 -1.512 1.00 0.00 H HETATM 61 H8 UNL 1 2.754 2.409 -1.237 1.00 0.00 H HETATM 62 H9 UNL 1 -0.630 0.510 1.439 1.00 0.00 H HETATM 63 H10 UNL 1 -0.351 0.057 -0.324 1.00 0.00 H HETATM 64 H11 UNL 1 -2.651 0.182 -0.858 1.00 0.00 H HETATM 65 H12 UNL 1 -3.136 -1.096 2.523 1.00 0.00 H HETATM 66 H13 UNL 1 -6.287 -2.001 2.291 1.00 0.00 H HETATM 67 H14 UNL 1 -6.496 -6.911 1.846 1.00 0.00 H HETATM 68 H15 UNL 1 -5.818 -7.846 0.508 1.00 0.00 H HETATM 69 H16 UNL 1 -1.519 -5.791 -0.070 1.00 0.00 H HETATM 70 H17 UNL 1 -5.169 0.105 2.023 1.00 0.00 H HETATM 71 H18 UNL 1 -4.968 0.544 -0.617 1.00 0.00 H HETATM 72 H19 UNL 1 -3.752 1.784 0.432 1.00 0.00 H HETATM 73 H20 UNL 1 -3.674 1.387 2.880 1.00 0.00 H HETATM 74 H21 UNL 1 -2.343 3.195 -2.260 1.00 0.00 H HETATM 75 H22 UNL 1 -0.378 7.364 -4.674 1.00 0.00 H HETATM 76 H23 UNL 1 1.548 9.159 -0.856 1.00 0.00 H HETATM 77 H24 UNL 1 -2.000 10.269 0.659 1.00 0.00 H HETATM 78 H25 UNL 1 5.305 0.794 -1.883 1.00 0.00 H HETATM 79 H26 UNL 1 3.853 -0.013 -3.778 1.00 0.00 H HETATM 80 H27 UNL 1 4.629 -1.697 -2.792 1.00 0.00 H HETATM 81 H28 UNL 1 6.288 -0.803 -0.896 1.00 0.00 H CONECT 1 2 54 55 CONECT 2 3 3 7 CONECT 3 4 CONECT 4 5 5 56 CONECT 5 6 CONECT 6 7 7 10 CONECT 7 8 CONECT 8 9 9 CONECT 9 10 57 CONECT 10 11 CONECT 11 12 52 58 CONECT 12 13 CONECT 13 14 50 59 CONECT 14 15 60 61 CONECT 15 16 CONECT 16 17 17 18 37 CONECT 18 19 CONECT 19 20 62 63 CONECT 20 21 35 64 CONECT 21 22 CONECT 22 23 33 65 CONECT 23 24 32 CONECT 24 25 25 66 CONECT 25 26 CONECT 26 27 27 32 CONECT 27 28 29 CONECT 28 67 68 CONECT 29 30 30 CONECT 30 31 69 CONECT 31 32 32 CONECT 33 34 35 70 CONECT 34 71 CONECT 35 36 72 CONECT 36 73 CONECT 37 38 CONECT 38 39 39 40 41 CONECT 40 74 CONECT 41 42 CONECT 42 43 43 44 45 CONECT 44 75 CONECT 45 46 CONECT 46 47 47 48 49 CONECT 48 76 CONECT 49 77 CONECT 50 51 52 78 CONECT 51 79 CONECT 52 53 80 CONECT 53 81 END