COMPND HMDB0240233 HETATM 1 C1 UNL 1 3.182 -0.641 -1.988 1.00 0.00 C HETATM 2 N1 UNL 1 3.467 -0.514 -0.590 1.00 0.00 N HETATM 3 C2 UNL 1 4.860 -0.491 -0.206 1.00 0.00 C HETATM 4 N2 UNL 1 5.386 -1.525 0.443 1.00 0.00 N HETATM 5 C3 UNL 1 6.707 -1.441 0.772 1.00 0.00 C HETATM 6 C4 UNL 1 7.448 -0.334 0.444 1.00 0.00 C HETATM 7 C5 UNL 1 6.862 0.709 -0.227 1.00 0.00 C HETATM 8 O1 UNL 1 7.548 1.857 -0.591 1.00 0.00 O HETATM 9 N3 UNL 1 5.556 0.621 -0.549 1.00 0.00 N HETATM 10 C6 UNL 1 2.404 -0.403 0.372 1.00 0.00 C HETATM 11 C7 UNL 1 1.419 -1.497 0.365 1.00 0.00 C HETATM 12 C8 UNL 1 -0.017 -1.134 0.609 1.00 0.00 C HETATM 13 N4 UNL 1 -0.255 0.170 1.076 1.00 0.00 N HETATM 14 C9 UNL 1 -1.541 0.695 1.310 1.00 0.00 C HETATM 15 N5 UNL 1 -2.013 1.078 2.537 1.00 0.00 N HETATM 16 C10 UNL 1 -3.239 1.600 2.439 1.00 0.00 C HETATM 17 C11 UNL 1 -4.111 2.144 3.378 1.00 0.00 C HETATM 18 C12 UNL 1 -5.321 2.645 2.994 1.00 0.00 C HETATM 19 C13 UNL 1 -5.621 2.580 1.652 1.00 0.00 C HETATM 20 C14 UNL 1 -4.792 2.049 0.685 1.00 0.00 C HETATM 21 C15 UNL 1 -3.564 1.546 1.102 1.00 0.00 C HETATM 22 N6 UNL 1 -2.496 0.981 0.427 1.00 0.00 N HETATM 23 C16 UNL 1 -2.567 0.807 -1.001 1.00 0.00 C HETATM 24 C17 UNL 1 -3.088 -0.485 -1.485 1.00 0.00 C HETATM 25 C18 UNL 1 -4.311 -0.972 -1.118 1.00 0.00 C HETATM 26 C19 UNL 1 -4.790 -2.175 -1.628 1.00 0.00 C HETATM 27 C20 UNL 1 -4.033 -2.909 -2.524 1.00 0.00 C HETATM 28 F1 UNL 1 -4.459 -4.076 -3.039 1.00 0.00 F HETATM 29 C21 UNL 1 -2.791 -2.441 -2.915 1.00 0.00 C HETATM 30 C22 UNL 1 -2.336 -1.254 -2.402 1.00 0.00 C HETATM 31 C23 UNL 1 0.863 1.106 1.402 1.00 0.00 C HETATM 32 C24 UNL 1 1.799 0.980 0.222 1.00 0.00 C HETATM 33 H1 UNL 1 3.976 -1.297 -2.445 1.00 0.00 H HETATM 34 H2 UNL 1 2.222 -1.092 -2.244 1.00 0.00 H HETATM 35 H3 UNL 1 3.271 0.367 -2.479 1.00 0.00 H HETATM 36 H4 UNL 1 7.110 -2.281 1.297 1.00 0.00 H HETATM 37 H5 UNL 1 8.488 -0.294 0.718 1.00 0.00 H HETATM 38 H6 UNL 1 8.321 1.828 -1.248 1.00 0.00 H HETATM 39 H7 UNL 1 2.910 -0.365 1.391 1.00 0.00 H HETATM 40 H8 UNL 1 1.765 -2.271 1.116 1.00 0.00 H HETATM 41 H9 UNL 1 1.493 -2.036 -0.612 1.00 0.00 H HETATM 42 H10 UNL 1 -0.604 -1.330 -0.299 1.00 0.00 H HETATM 43 H11 UNL 1 -0.423 -1.874 1.365 1.00 0.00 H HETATM 44 H12 UNL 1 -3.825 2.171 4.409 1.00 0.00 H HETATM 45 H13 UNL 1 -6.026 3.083 3.721 1.00 0.00 H HETATM 46 H14 UNL 1 -6.579 2.973 1.331 1.00 0.00 H HETATM 47 H15 UNL 1 -5.026 1.999 -0.345 1.00 0.00 H HETATM 48 H16 UNL 1 -1.514 0.930 -1.391 1.00 0.00 H HETATM 49 H17 UNL 1 -3.121 1.667 -1.446 1.00 0.00 H HETATM 50 H18 UNL 1 -4.959 -0.476 -0.433 1.00 0.00 H HETATM 51 H19 UNL 1 -5.746 -2.553 -1.341 1.00 0.00 H HETATM 52 H20 UNL 1 -2.198 -3.032 -3.628 1.00 0.00 H HETATM 53 H21 UNL 1 -1.363 -0.867 -2.695 1.00 0.00 H HETATM 54 H22 UNL 1 0.493 2.098 1.600 1.00 0.00 H HETATM 55 H23 UNL 1 1.372 0.642 2.297 1.00 0.00 H HETATM 56 H24 UNL 1 2.617 1.718 0.254 1.00 0.00 H HETATM 57 H25 UNL 1 1.188 1.017 -0.694 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 10 CONECT 3 4 4 9 CONECT 4 5 CONECT 5 6 6 36 CONECT 6 7 37 CONECT 7 8 9 9 CONECT 8 38 CONECT 10 11 32 39 CONECT 11 12 40 41 CONECT 12 13 42 43 CONECT 13 14 31 CONECT 14 15 15 22 CONECT 15 16 CONECT 16 17 17 21 CONECT 17 18 44 CONECT 18 19 19 45 CONECT 19 20 46 CONECT 20 21 21 47 CONECT 21 22 CONECT 22 23 CONECT 23 24 48 49 CONECT 24 25 25 30 CONECT 25 26 50 CONECT 26 27 27 51 CONECT 27 28 29 CONECT 29 30 30 52 CONECT 30 53 CONECT 31 32 54 55 CONECT 32 56 57 END