COMPND HMDB0014021 HETATM 1 C1 UNL 1 4.467 -2.220 0.098 1.00 0.00 C HETATM 2 N1 UNL 1 3.597 -1.745 1.167 1.00 0.00 N HETATM 3 C2 UNL 1 2.749 -0.704 0.589 1.00 0.00 C HETATM 4 C3 UNL 1 1.806 -0.144 1.620 1.00 0.00 C HETATM 5 C4 UNL 1 0.930 0.939 1.118 1.00 0.00 C HETATM 6 C5 UNL 1 -0.000 0.635 0.006 1.00 0.00 C HETATM 7 C6 UNL 1 -0.761 1.906 -0.267 1.00 0.00 C HETATM 8 C7 UNL 1 -0.530 2.604 -1.425 1.00 0.00 C HETATM 9 C8 UNL 1 -1.221 3.788 -1.709 1.00 0.00 C HETATM 10 C9 UNL 1 -2.143 4.260 -0.816 1.00 0.00 C HETATM 11 F1 UNL 1 -2.823 5.421 -1.088 1.00 0.00 F HETATM 12 C10 UNL 1 -2.371 3.558 0.342 1.00 0.00 C HETATM 13 C11 UNL 1 -1.688 2.384 0.624 1.00 0.00 C HETATM 14 O1 UNL 1 0.721 0.333 -1.146 1.00 0.00 O HETATM 15 C12 UNL 1 -0.092 -0.510 -1.905 1.00 0.00 C HETATM 16 C13 UNL 1 -1.009 -1.163 -0.958 1.00 0.00 C HETATM 17 C14 UNL 1 -1.817 -2.266 -1.102 1.00 0.00 C HETATM 18 C15 UNL 1 -2.612 -2.705 -0.040 1.00 0.00 C HETATM 19 C16 UNL 1 -3.441 -3.859 -0.229 1.00 0.00 C HETATM 20 N2 UNL 1 -4.100 -4.813 -0.383 1.00 0.00 N HETATM 21 C17 UNL 1 -2.559 -2.002 1.143 1.00 0.00 C HETATM 22 C18 UNL 1 -1.734 -0.887 1.268 1.00 0.00 C HETATM 23 C19 UNL 1 -0.949 -0.451 0.224 1.00 0.00 C HETATM 24 H1 UNL 1 4.594 -1.408 -0.641 1.00 0.00 H HETATM 25 H2 UNL 1 5.494 -2.453 0.468 1.00 0.00 H HETATM 26 H3 UNL 1 4.009 -3.090 -0.432 1.00 0.00 H HETATM 27 H4 UNL 1 2.961 -2.537 1.407 1.00 0.00 H HETATM 28 H5 UNL 1 3.404 0.055 0.149 1.00 0.00 H HETATM 29 H6 UNL 1 2.155 -1.156 -0.245 1.00 0.00 H HETATM 30 H7 UNL 1 1.229 -0.957 2.130 1.00 0.00 H HETATM 31 H8 UNL 1 2.483 0.234 2.449 1.00 0.00 H HETATM 32 H9 UNL 1 1.585 1.793 0.749 1.00 0.00 H HETATM 33 H10 UNL 1 0.422 1.395 2.005 1.00 0.00 H HETATM 34 H11 UNL 1 0.185 2.296 -2.179 1.00 0.00 H HETATM 35 H12 UNL 1 -1.038 4.340 -2.624 1.00 0.00 H HETATM 36 H13 UNL 1 -3.105 3.938 1.046 1.00 0.00 H HETATM 37 H14 UNL 1 -1.929 1.897 1.556 1.00 0.00 H HETATM 38 H15 UNL 1 -0.615 0.100 -2.668 1.00 0.00 H HETATM 39 H16 UNL 1 0.552 -1.227 -2.469 1.00 0.00 H HETATM 40 H17 UNL 1 -1.874 -2.831 -2.022 1.00 0.00 H HETATM 41 H18 UNL 1 -3.176 -2.346 1.963 1.00 0.00 H HETATM 42 H19 UNL 1 -1.754 -0.397 2.231 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 27 CONECT 3 4 28 29 CONECT 4 5 30 31 CONECT 5 6 32 33 CONECT 6 7 14 23 CONECT 7 8 8 13 CONECT 8 9 34 CONECT 9 10 10 35 CONECT 10 11 12 CONECT 12 13 13 36 CONECT 13 37 CONECT 14 15 CONECT 15 16 38 39 CONECT 16 17 17 23 CONECT 17 18 40 CONECT 18 19 21 21 CONECT 19 20 20 20 CONECT 21 22 41 CONECT 22 23 23 42 END