COMPND HMDB0030461 HETATM 1 N1 UNL 1 7.697 -6.222 -1.691 1.00 0.00 N HETATM 2 C1 UNL 1 7.827 -4.944 -1.749 1.00 0.00 C HETATM 3 N2 UNL 1 8.835 -4.400 -2.589 1.00 0.00 N HETATM 4 N3 UNL 1 6.975 -4.055 -0.995 1.00 0.00 N HETATM 5 C2 UNL 1 5.646 -3.893 -1.499 1.00 0.00 C HETATM 6 C3 UNL 1 4.835 -2.892 -0.681 1.00 0.00 C HETATM 7 C4 UNL 1 3.433 -2.761 -1.268 1.00 0.00 C HETATM 8 C5 UNL 1 2.677 -1.757 -0.478 1.00 0.00 C HETATM 9 N4 UNL 1 3.302 -0.450 -0.494 1.00 0.00 N HETATM 10 C6 UNL 1 2.653 0.637 0.227 1.00 0.00 C HETATM 11 O1 UNL 1 1.608 0.341 0.799 1.00 0.00 O HETATM 12 C7 UNL 1 3.342 1.892 0.172 1.00 0.00 C HETATM 13 C8 UNL 1 2.899 2.989 0.678 1.00 0.00 C HETATM 14 C9 UNL 1 1.657 3.186 1.358 1.00 0.00 C HETATM 15 C10 UNL 1 1.665 4.112 2.431 1.00 0.00 C HETATM 16 C11 UNL 1 0.525 4.498 3.090 1.00 0.00 C HETATM 17 O2 UNL 1 0.611 5.425 4.152 1.00 0.00 O HETATM 18 C12 UNL 1 -0.710 4.009 2.749 1.00 0.00 C HETATM 19 C13 UNL 1 -0.756 3.113 1.714 1.00 0.00 C HETATM 20 C14 UNL 1 0.412 2.720 1.040 1.00 0.00 C HETATM 21 C15 UNL 1 -2.187 2.759 1.560 1.00 0.00 C HETATM 22 C16 UNL 1 -2.580 2.326 0.221 1.00 0.00 C HETATM 23 O3 UNL 1 -3.244 3.054 -0.552 1.00 0.00 O HETATM 24 N5 UNL 1 -2.214 1.031 -0.239 1.00 0.00 N HETATM 25 C17 UNL 1 -2.585 0.562 -1.543 1.00 0.00 C HETATM 26 C18 UNL 1 -2.157 -0.875 -1.811 1.00 0.00 C HETATM 27 C19 UNL 1 -2.779 -1.810 -0.819 1.00 0.00 C HETATM 28 C20 UNL 1 -2.407 -3.225 -1.058 1.00 0.00 C HETATM 29 N6 UNL 1 -2.779 -3.780 -2.322 1.00 0.00 N HETATM 30 C21 UNL 1 -2.214 -3.424 -3.577 1.00 0.00 C HETATM 31 N7 UNL 1 -0.944 -3.374 -3.713 1.00 0.00 N HETATM 32 N8 UNL 1 -3.069 -3.136 -4.657 1.00 0.00 N HETATM 33 C22 UNL 1 -2.875 3.953 2.112 1.00 0.00 C HETATM 34 C23 UNL 1 -4.238 3.736 2.585 1.00 0.00 C HETATM 35 C24 UNL 1 -4.804 4.622 3.476 1.00 0.00 C HETATM 36 C25 UNL 1 -6.102 4.440 3.950 1.00 0.00 C HETATM 37 C26 UNL 1 -6.869 3.366 3.544 1.00 0.00 C HETATM 38 O4 UNL 1 -8.174 3.173 4.012 1.00 0.00 O HETATM 39 C27 UNL 1 -6.300 2.482 2.653 1.00 0.00 C HETATM 40 C28 UNL 1 -5.004 2.680 2.192 1.00 0.00 C HETATM 41 O5 UNL 1 -2.015 4.228 3.242 1.00 0.00 O HETATM 42 H1 UNL 1 6.967 -6.675 -1.081 1.00 0.00 H HETATM 43 H2 UNL 1 9.111 -4.814 -3.487 1.00 0.00 H HETATM 44 H3 UNL 1 9.337 -3.524 -2.295 1.00 0.00 H HETATM 45 H4 UNL 1 7.344 -3.594 -0.156 1.00 0.00 H HETATM 46 H5 UNL 1 5.111 -4.865 -1.369 1.00 0.00 H HETATM 47 H6 UNL 1 5.633 -3.563 -2.560 1.00 0.00 H HETATM 48 H7 UNL 1 4.781 -3.350 0.348 1.00 0.00 H HETATM 49 H8 UNL 1 5.358 -1.935 -0.629 1.00 0.00 H HETATM 50 H9 UNL 1 2.961 -3.784 -1.159 1.00 0.00 H HETATM 51 H10 UNL 1 3.472 -2.574 -2.345 1.00 0.00 H HETATM 52 H11 UNL 1 2.624 -2.071 0.574 1.00 0.00 H HETATM 53 H12 UNL 1 1.651 -1.679 -0.883 1.00 0.00 H HETATM 54 H13 UNL 1 4.183 -0.332 -1.017 1.00 0.00 H HETATM 55 H14 UNL 1 4.349 1.910 -0.361 1.00 0.00 H HETATM 56 H15 UNL 1 3.594 3.890 0.561 1.00 0.00 H HETATM 57 H16 UNL 1 2.624 4.505 2.712 1.00 0.00 H HETATM 58 H17 UNL 1 -0.218 5.706 4.630 1.00 0.00 H HETATM 59 H18 UNL 1 0.278 2.068 0.167 1.00 0.00 H HETATM 60 H19 UNL 1 -2.360 1.913 2.281 1.00 0.00 H HETATM 61 H20 UNL 1 -1.654 0.362 0.358 1.00 0.00 H HETATM 62 H21 UNL 1 -2.027 1.183 -2.298 1.00 0.00 H HETATM 63 H22 UNL 1 -3.653 0.674 -1.776 1.00 0.00 H HETATM 64 H23 UNL 1 -2.567 -1.109 -2.822 1.00 0.00 H HETATM 65 H24 UNL 1 -1.067 -0.990 -1.876 1.00 0.00 H HETATM 66 H25 UNL 1 -3.886 -1.722 -0.939 1.00 0.00 H HETATM 67 H26 UNL 1 -2.489 -1.516 0.210 1.00 0.00 H HETATM 68 H27 UNL 1 -1.301 -3.432 -0.923 1.00 0.00 H HETATM 69 H28 UNL 1 -2.888 -3.883 -0.266 1.00 0.00 H HETATM 70 H29 UNL 1 -3.541 -4.522 -2.378 1.00 0.00 H HETATM 71 H30 UNL 1 -0.439 -3.130 -4.567 1.00 0.00 H HETATM 72 H31 UNL 1 -4.094 -3.026 -4.524 1.00 0.00 H HETATM 73 H32 UNL 1 -2.666 -3.031 -5.605 1.00 0.00 H HETATM 74 H33 UNL 1 -2.794 4.834 1.442 1.00 0.00 H HETATM 75 H34 UNL 1 -4.278 5.484 3.844 1.00 0.00 H HETATM 76 H35 UNL 1 -6.562 5.122 4.648 1.00 0.00 H HETATM 77 H36 UNL 1 -8.951 3.578 3.509 1.00 0.00 H HETATM 78 H37 UNL 1 -6.889 1.623 2.315 1.00 0.00 H HETATM 79 H38 UNL 1 -4.649 1.931 1.501 1.00 0.00 H CONECT 1 2 2 42 CONECT 2 3 4 CONECT 3 43 44 CONECT 4 5 45 CONECT 5 6 46 47 CONECT 6 7 48 49 CONECT 7 8 50 51 CONECT 8 9 52 53 CONECT 9 10 54 CONECT 10 11 11 12 CONECT 12 13 13 55 CONECT 13 14 56 CONECT 14 15 15 20 CONECT 15 16 57 CONECT 16 17 18 18 CONECT 17 58 CONECT 18 19 41 CONECT 19 20 20 21 CONECT 20 59 CONECT 21 22 33 60 CONECT 22 23 23 24 CONECT 24 25 61 CONECT 25 26 62 63 CONECT 26 27 64 65 CONECT 27 28 66 67 CONECT 28 29 68 69 CONECT 29 30 70 CONECT 30 31 31 32 CONECT 31 71 CONECT 32 72 73 CONECT 33 34 41 74 CONECT 34 35 35 40 CONECT 35 36 75 CONECT 36 37 37 76 CONECT 37 38 39 CONECT 38 77 CONECT 39 40 40 78 CONECT 40 79 END