COMPND HMDB0257273 HETATM 1 C1 UNL 1 4.115 -3.588 -3.345 1.00 0.00 C HETATM 2 C2 UNL 1 5.089 -3.142 -2.288 1.00 0.00 C HETATM 3 N1 UNL 1 6.415 -3.340 -2.236 1.00 0.00 N HETATM 4 N2 UNL 1 6.874 -2.777 -1.092 1.00 0.00 N HETATM 5 C3 UNL 1 5.885 -2.244 -0.443 1.00 0.00 C HETATM 6 N3 UNL 1 4.764 -2.470 -1.189 1.00 0.00 N HETATM 7 C4 UNL 1 3.418 -2.106 -0.905 1.00 0.00 C HETATM 8 S1 UNL 1 1.996 -2.942 -1.301 1.00 0.00 S HETATM 9 C5 UNL 1 0.870 -1.947 -0.467 1.00 0.00 C HETATM 10 C6 UNL 1 -0.578 -2.091 -0.381 1.00 0.00 C HETATM 11 C7 UNL 1 -1.767 -2.217 -0.332 1.00 0.00 C HETATM 12 C8 UNL 1 -3.241 -2.366 -0.298 1.00 0.00 C HETATM 13 N4 UNL 1 -3.778 -1.115 0.129 1.00 0.00 N HETATM 14 C9 UNL 1 -3.993 -0.897 1.445 1.00 0.00 C HETATM 15 O1 UNL 1 -3.704 -1.833 2.258 1.00 0.00 O HETATM 16 C10 UNL 1 -4.505 0.282 1.920 1.00 0.00 C HETATM 17 C11 UNL 1 -4.709 0.464 3.264 1.00 0.00 C HETATM 18 C12 UNL 1 -5.222 1.641 3.752 1.00 0.00 C HETATM 19 C13 UNL 1 -5.538 2.658 2.889 1.00 0.00 C HETATM 20 C14 UNL 1 -5.341 2.493 1.546 1.00 0.00 C HETATM 21 C15 UNL 1 -4.828 1.317 1.056 1.00 0.00 C HETATM 22 C16 UNL 1 -4.610 1.100 -0.295 1.00 0.00 C HETATM 23 C17 UNL 1 -4.912 2.099 -1.181 1.00 0.00 C HETATM 24 C18 UNL 1 -4.690 1.884 -2.524 1.00 0.00 C HETATM 25 C19 UNL 1 -4.175 0.687 -2.952 1.00 0.00 C HETATM 26 C20 UNL 1 -3.872 -0.314 -2.060 1.00 0.00 C HETATM 27 C21 UNL 1 -4.087 -0.121 -0.706 1.00 0.00 C HETATM 28 C22 UNL 1 1.658 -0.988 0.094 1.00 0.00 C HETATM 29 C23 UNL 1 3.002 -1.051 -0.129 1.00 0.00 C HETATM 30 C24 UNL 1 3.900 -0.004 0.434 1.00 0.00 C HETATM 31 C25 UNL 1 3.485 1.334 0.652 1.00 0.00 C HETATM 32 C26 UNL 1 4.278 2.104 1.524 1.00 0.00 C HETATM 33 C27 UNL 1 4.083 3.447 1.716 1.00 0.00 C HETATM 34 C28 UNL 1 3.083 4.104 1.048 1.00 0.00 C HETATM 35 C29 UNL 1 2.294 3.390 0.189 1.00 0.00 C HETATM 36 C30 UNL 1 2.515 2.007 0.004 1.00 0.00 C HETATM 37 CL1 UNL 1 1.589 1.319 -1.341 1.00 0.00 CL HETATM 38 N5 UNL 1 5.118 -0.325 0.829 1.00 0.00 N HETATM 39 C31 UNL 1 5.880 -1.543 0.848 1.00 0.00 C HETATM 40 H1 UNL 1 3.601 -2.709 -3.759 1.00 0.00 H HETATM 41 H2 UNL 1 3.419 -4.325 -2.887 1.00 0.00 H HETATM 42 H3 UNL 1 4.649 -4.099 -4.142 1.00 0.00 H HETATM 43 H4 UNL 1 -3.456 -3.146 0.512 1.00 0.00 H HETATM 44 H5 UNL 1 -3.658 -2.813 -1.196 1.00 0.00 H HETATM 45 H6 UNL 1 -4.479 -0.305 4.006 1.00 0.00 H HETATM 46 H7 UNL 1 -5.376 1.767 4.817 1.00 0.00 H HETATM 47 H8 UNL 1 -5.946 3.583 3.315 1.00 0.00 H HETATM 48 H9 UNL 1 -5.601 3.310 0.911 1.00 0.00 H HETATM 49 H10 UNL 1 -5.315 3.056 -0.925 1.00 0.00 H HETATM 50 H11 UNL 1 -4.920 2.661 -3.271 1.00 0.00 H HETATM 51 H12 UNL 1 -4.000 0.516 -4.002 1.00 0.00 H HETATM 52 H13 UNL 1 -3.457 -1.269 -2.387 1.00 0.00 H HETATM 53 H14 UNL 1 1.157 -0.232 0.760 1.00 0.00 H HETATM 54 H15 UNL 1 5.085 1.637 2.080 1.00 0.00 H HETATM 55 H16 UNL 1 4.729 3.995 2.406 1.00 0.00 H HETATM 56 H17 UNL 1 2.952 5.165 1.223 1.00 0.00 H HETATM 57 H18 UNL 1 1.497 3.885 -0.350 1.00 0.00 H HETATM 58 H19 UNL 1 6.930 -1.372 1.155 1.00 0.00 H HETATM 59 H20 UNL 1 5.428 -2.214 1.602 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 3 6 CONECT 3 4 CONECT 4 5 5 CONECT 5 6 39 CONECT 6 7 CONECT 7 8 29 29 CONECT 8 9 CONECT 9 10 28 28 CONECT 10 11 11 11 CONECT 11 12 CONECT 12 13 43 44 CONECT 13 14 27 CONECT 14 15 15 16 CONECT 16 17 17 21 CONECT 17 18 45 CONECT 18 19 19 46 CONECT 19 20 47 CONECT 20 21 21 48 CONECT 21 22 CONECT 22 23 23 27 CONECT 23 24 49 CONECT 24 25 25 50 CONECT 25 26 51 CONECT 26 27 27 52 CONECT 28 29 53 CONECT 29 30 CONECT 30 31 38 38 CONECT 31 32 32 36 CONECT 32 33 54 CONECT 33 34 34 55 CONECT 34 35 56 CONECT 35 36 36 57 CONECT 36 37 CONECT 38 39 CONECT 39 58 59 END