COMPND HMDB0010316 HETATM 1 C1 UNL 1 7.301 -0.167 -0.019 1.00 0.00 C HETATM 2 C2 UNL 1 5.803 -0.418 -0.010 1.00 0.00 C HETATM 3 O1 UNL 1 5.402 -1.585 0.144 1.00 0.00 O HETATM 4 N1 UNL 1 4.968 0.682 -0.176 1.00 0.00 N HETATM 5 C3 UNL 1 3.556 0.594 -0.194 1.00 0.00 C HETATM 6 C4 UNL 1 2.866 -0.585 -0.305 1.00 0.00 C HETATM 7 C5 UNL 1 1.459 -0.560 -0.297 1.00 0.00 C HETATM 8 C6 UNL 1 0.731 0.593 -0.181 1.00 0.00 C HETATM 9 O2 UNL 1 -0.618 0.664 -0.168 1.00 0.00 O HETATM 10 C7 UNL 1 -1.586 -0.322 -0.260 1.00 0.00 C HETATM 11 O3 UNL 1 -2.396 -0.210 -1.378 1.00 0.00 O HETATM 12 C8 UNL 1 -3.676 0.191 -1.154 1.00 0.00 C HETATM 13 C9 UNL 1 -3.757 1.624 -0.779 1.00 0.00 C HETATM 14 O4 UNL 1 -2.682 2.270 -0.718 1.00 0.00 O HETATM 15 O5 UNL 1 -4.932 2.287 -0.496 1.00 0.00 O HETATM 16 C10 UNL 1 -4.448 -0.705 -0.216 1.00 0.00 C HETATM 17 O6 UNL 1 -5.124 -1.683 -0.937 1.00 0.00 O HETATM 18 C11 UNL 1 -3.481 -1.462 0.707 1.00 0.00 C HETATM 19 O7 UNL 1 -4.116 -1.952 1.825 1.00 0.00 O HETATM 20 C12 UNL 1 -2.399 -0.454 1.036 1.00 0.00 C HETATM 21 O8 UNL 1 -1.544 -0.922 2.028 1.00 0.00 O HETATM 22 C13 UNL 1 1.439 1.795 -0.068 1.00 0.00 C HETATM 23 C14 UNL 1 2.811 1.790 -0.074 1.00 0.00 C HETATM 24 H1 UNL 1 7.521 0.719 -0.663 1.00 0.00 H HETATM 25 H2 UNL 1 7.775 -1.086 -0.410 1.00 0.00 H HETATM 26 H3 UNL 1 7.575 0.041 1.024 1.00 0.00 H HETATM 27 H4 UNL 1 5.417 1.643 -0.300 1.00 0.00 H HETATM 28 H5 UNL 1 3.333 -1.540 -0.411 1.00 0.00 H HETATM 29 H6 UNL 1 0.905 -1.496 -0.385 1.00 0.00 H HETATM 30 H7 UNL 1 -1.085 -1.306 -0.358 1.00 0.00 H HETATM 31 H8 UNL 1 -4.206 0.120 -2.151 1.00 0.00 H HETATM 32 H9 UNL 1 -5.480 2.151 0.345 1.00 0.00 H HETATM 33 H10 UNL 1 -5.154 -0.183 0.426 1.00 0.00 H HETATM 34 H11 UNL 1 -5.718 -1.204 -1.579 1.00 0.00 H HETATM 35 H12 UNL 1 -3.020 -2.268 0.097 1.00 0.00 H HETATM 36 H13 UNL 1 -3.642 -2.796 2.100 1.00 0.00 H HETATM 37 H14 UNL 1 -2.811 0.494 1.374 1.00 0.00 H HETATM 38 H15 UNL 1 -1.264 -0.185 2.641 1.00 0.00 H HETATM 39 H16 UNL 1 0.888 2.723 0.025 1.00 0.00 H HETATM 40 H17 UNL 1 3.385 2.708 0.013 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 3 4 CONECT 4 5 27 CONECT 5 6 6 23 CONECT 6 7 28 CONECT 7 8 8 29 CONECT 8 9 22 CONECT 9 10 CONECT 10 11 20 30 CONECT 11 12 CONECT 12 13 16 31 CONECT 13 14 14 15 CONECT 15 32 CONECT 16 17 18 33 CONECT 17 34 CONECT 18 19 20 35 CONECT 19 36 CONECT 20 21 37 CONECT 21 38 CONECT 22 23 23 39 CONECT 23 40 END