COMPND HMDB0015414 HETATM 1 C1 UNL 1 -1.402 -4.536 0.630 1.00 0.00 C HETATM 2 N1 UNL 1 -0.094 -3.919 0.538 1.00 0.00 N HETATM 3 C2 UNL 1 0.700 -4.743 -0.355 1.00 0.00 C HETATM 4 C3 UNL 1 -0.183 -2.548 -0.008 1.00 0.00 C HETATM 5 C4 UNL 1 1.193 -2.089 -0.178 1.00 0.00 C HETATM 6 O1 UNL 1 1.898 -2.575 -1.301 1.00 0.00 O HETATM 7 C5 UNL 1 1.795 -1.263 0.645 1.00 0.00 C HETATM 8 C6 UNL 1 3.139 -0.755 0.566 1.00 0.00 C HETATM 9 O2 UNL 1 3.518 0.039 1.485 1.00 0.00 O HETATM 10 N2 UNL 1 4.065 -1.056 -0.429 1.00 0.00 N HETATM 11 C7 UNL 1 5.394 -0.503 -0.474 1.00 0.00 C HETATM 12 N3 UNL 1 5.508 0.841 -0.829 1.00 0.00 N HETATM 13 C8 UNL 1 4.968 1.872 -0.085 1.00 0.00 C HETATM 14 C9 UNL 1 5.681 3.138 -0.668 1.00 0.00 C HETATM 15 C10 UNL 1 7.088 2.604 -0.799 1.00 0.00 C HETATM 16 C11 UNL 1 6.852 1.173 -1.236 1.00 0.00 C HETATM 17 C12 UNL 1 0.955 -0.810 1.784 1.00 0.00 C HETATM 18 O3 UNL 1 1.455 -0.579 2.907 1.00 0.00 O HETATM 19 C13 UNL 1 -0.516 -0.626 1.581 1.00 0.00 C HETATM 20 O4 UNL 1 -1.061 -0.640 2.875 1.00 0.00 O HETATM 21 C14 UNL 1 -0.802 0.736 1.064 1.00 0.00 C HETATM 22 O5 UNL 1 0.135 1.755 1.049 1.00 0.00 O HETATM 23 C15 UNL 1 -2.011 0.998 0.591 1.00 0.00 C HETATM 24 C16 UNL 1 -2.390 2.294 0.065 1.00 0.00 C HETATM 25 O6 UNL 1 -1.561 3.240 0.034 1.00 0.00 O HETATM 26 C17 UNL 1 -3.750 2.489 -0.431 1.00 0.00 C HETATM 27 C18 UNL 1 -4.151 3.712 -0.946 1.00 0.00 C HETATM 28 O7 UNL 1 -3.214 4.729 -0.965 1.00 0.00 O HETATM 29 C19 UNL 1 -5.416 3.942 -1.426 1.00 0.00 C HETATM 30 C20 UNL 1 -6.298 2.887 -1.377 1.00 0.00 C HETATM 31 C21 UNL 1 -5.936 1.664 -0.875 1.00 0.00 C HETATM 32 C22 UNL 1 -4.620 1.440 -0.381 1.00 0.00 C HETATM 33 C23 UNL 1 -4.331 0.089 0.144 1.00 0.00 C HETATM 34 C24 UNL 1 -5.316 -0.138 1.318 1.00 0.00 C HETATM 35 O8 UNL 1 -4.735 -0.887 -0.805 1.00 0.00 O HETATM 36 C25 UNL 1 -2.970 -0.122 0.620 1.00 0.00 C HETATM 37 C26 UNL 1 -2.242 -1.245 -0.137 1.00 0.00 C HETATM 38 C27 UNL 1 -1.116 -1.716 0.770 1.00 0.00 C HETATM 39 H1 UNL 1 -2.040 -4.258 -0.243 1.00 0.00 H HETATM 40 H2 UNL 1 -1.897 -4.420 1.597 1.00 0.00 H HETATM 41 H3 UNL 1 -1.255 -5.650 0.510 1.00 0.00 H HETATM 42 H4 UNL 1 1.783 -4.659 -0.132 1.00 0.00 H HETATM 43 H5 UNL 1 0.442 -5.820 -0.269 1.00 0.00 H HETATM 44 H6 UNL 1 0.450 -4.445 -1.394 1.00 0.00 H HETATM 45 H7 UNL 1 -0.596 -2.740 -1.049 1.00 0.00 H HETATM 46 H8 UNL 1 1.648 -2.158 -2.190 1.00 0.00 H HETATM 47 H9 UNL 1 3.814 -1.728 -1.219 1.00 0.00 H HETATM 48 H10 UNL 1 5.875 -0.634 0.560 1.00 0.00 H HETATM 49 H11 UNL 1 6.023 -1.142 -1.166 1.00 0.00 H HETATM 50 H12 UNL 1 5.337 1.866 0.973 1.00 0.00 H HETATM 51 H13 UNL 1 3.869 2.052 -0.166 1.00 0.00 H HETATM 52 H14 UNL 1 5.255 3.286 -1.661 1.00 0.00 H HETATM 53 H15 UNL 1 5.589 3.975 0.025 1.00 0.00 H HETATM 54 H16 UNL 1 7.582 2.606 0.201 1.00 0.00 H HETATM 55 H17 UNL 1 7.686 3.167 -1.552 1.00 0.00 H HETATM 56 H18 UNL 1 7.616 0.513 -0.752 1.00 0.00 H HETATM 57 H19 UNL 1 6.908 1.154 -2.338 1.00 0.00 H HETATM 58 H20 UNL 1 -0.832 0.196 3.367 1.00 0.00 H HETATM 59 H21 UNL 1 0.059 2.596 1.597 1.00 0.00 H HETATM 60 H22 UNL 1 -3.489 5.626 -1.336 1.00 0.00 H HETATM 61 H23 UNL 1 -5.754 4.876 -1.829 1.00 0.00 H HETATM 62 H24 UNL 1 -7.306 3.040 -1.750 1.00 0.00 H HETATM 63 H25 UNL 1 -6.637 0.844 -0.843 1.00 0.00 H HETATM 64 H26 UNL 1 -6.311 -0.380 0.901 1.00 0.00 H HETATM 65 H27 UNL 1 -4.989 -0.970 1.938 1.00 0.00 H HETATM 66 H28 UNL 1 -5.328 0.777 1.950 1.00 0.00 H HETATM 67 H29 UNL 1 -4.338 -0.707 -1.693 1.00 0.00 H HETATM 68 H30 UNL 1 -3.044 -0.544 1.679 1.00 0.00 H HETATM 69 H31 UNL 1 -2.928 -2.040 -0.426 1.00 0.00 H HETATM 70 H32 UNL 1 -1.772 -0.760 -1.016 1.00 0.00 H HETATM 71 H33 UNL 1 -1.650 -2.409 1.495 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 4 CONECT 3 42 43 44 CONECT 4 5 38 45 CONECT 5 6 7 7 CONECT 6 46 CONECT 7 8 17 CONECT 8 9 9 10 CONECT 10 11 47 CONECT 11 12 48 49 CONECT 12 13 16 CONECT 13 14 50 51 CONECT 14 15 52 53 CONECT 15 16 54 55 CONECT 16 56 57 CONECT 17 18 18 19 CONECT 19 20 21 38 CONECT 20 58 CONECT 21 22 23 23 CONECT 22 59 CONECT 23 24 36 CONECT 24 25 25 26 CONECT 26 27 27 32 CONECT 27 28 29 CONECT 28 60 CONECT 29 30 30 61 CONECT 30 31 62 CONECT 31 32 32 63 CONECT 32 33 CONECT 33 34 35 36 CONECT 34 64 65 66 CONECT 35 67 CONECT 36 37 68 CONECT 37 38 69 70 CONECT 38 71 END