COMPND HMDB0014045 HETATM 1 C1 UNL 1 4.054 1.922 1.239 1.00 0.00 C HETATM 2 O1 UNL 1 4.051 0.710 0.550 1.00 0.00 O HETATM 3 C2 UNL 1 2.923 0.088 0.054 1.00 0.00 C HETATM 4 C3 UNL 1 3.024 -1.113 -0.615 1.00 0.00 C HETATM 5 C4 UNL 1 1.928 -1.772 -1.128 1.00 0.00 C HETATM 6 C5 UNL 1 0.651 -1.216 -0.974 1.00 0.00 C HETATM 7 C6 UNL 1 0.527 -0.010 -0.305 1.00 0.00 C HETATM 8 C7 UNL 1 1.654 0.611 0.190 1.00 0.00 C HETATM 9 C8 UNL 1 -0.840 0.545 -0.165 1.00 0.00 C HETATM 10 C9 UNL 1 -0.993 1.576 0.911 1.00 0.00 C HETATM 11 C10 UNL 1 -0.902 1.087 2.300 1.00 0.00 C HETATM 12 C11 UNL 1 -1.482 -0.277 2.544 1.00 0.00 C HETATM 13 C12 UNL 1 -1.152 -1.249 1.423 1.00 0.00 C HETATM 14 C13 UNL 1 -1.737 -0.648 0.179 1.00 0.00 C HETATM 15 C14 UNL 1 -1.813 -1.542 -1.003 1.00 0.00 C HETATM 16 C15 UNL 1 -0.491 -1.970 -1.543 1.00 0.00 C HETATM 17 N1 UNL 1 -2.578 -0.793 -2.004 1.00 0.00 N HETATM 18 C16 UNL 1 -1.831 0.337 -2.494 1.00 0.00 C HETATM 19 C17 UNL 1 -1.209 1.194 -1.467 1.00 0.00 C HETATM 20 H1 UNL 1 3.157 1.969 1.901 1.00 0.00 H HETATM 21 H2 UNL 1 4.113 2.813 0.588 1.00 0.00 H HETATM 22 H3 UNL 1 4.977 1.923 1.889 1.00 0.00 H HETATM 23 H4 UNL 1 3.991 -1.578 -0.757 1.00 0.00 H HETATM 24 H5 UNL 1 2.027 -2.726 -1.657 1.00 0.00 H HETATM 25 H6 UNL 1 1.521 1.540 0.702 1.00 0.00 H HETATM 26 H7 UNL 1 -2.019 2.025 0.751 1.00 0.00 H HETATM 27 H8 UNL 1 -0.294 2.404 0.709 1.00 0.00 H HETATM 28 H9 UNL 1 0.128 1.094 2.720 1.00 0.00 H HETATM 29 H10 UNL 1 -1.478 1.793 2.970 1.00 0.00 H HETATM 30 H11 UNL 1 -1.147 -0.650 3.529 1.00 0.00 H HETATM 31 H12 UNL 1 -2.588 -0.195 2.580 1.00 0.00 H HETATM 32 H13 UNL 1 -0.050 -1.346 1.364 1.00 0.00 H HETATM 33 H14 UNL 1 -1.625 -2.211 1.704 1.00 0.00 H HETATM 34 H15 UNL 1 -2.757 -0.272 0.399 1.00 0.00 H HETATM 35 H16 UNL 1 -2.419 -2.435 -0.768 1.00 0.00 H HETATM 36 H17 UNL 1 -0.314 -3.040 -1.312 1.00 0.00 H HETATM 37 H18 UNL 1 -0.466 -1.885 -2.647 1.00 0.00 H HETATM 38 H19 UNL 1 -2.812 -1.394 -2.822 1.00 0.00 H HETATM 39 H20 UNL 1 -1.108 -0.016 -3.278 1.00 0.00 H HETATM 40 H21 UNL 1 -2.567 0.968 -3.072 1.00 0.00 H HETATM 41 H22 UNL 1 -0.249 1.602 -1.907 1.00 0.00 H HETATM 42 H23 UNL 1 -1.809 2.135 -1.282 1.00 0.00 H CONECT 1 2 20 21 22 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 23 CONECT 5 6 6 24 CONECT 6 7 16 CONECT 7 8 8 9 CONECT 8 25 CONECT 9 10 14 19 CONECT 10 11 26 27 CONECT 11 12 28 29 CONECT 12 13 30 31 CONECT 13 14 32 33 CONECT 14 15 34 CONECT 15 16 17 35 CONECT 16 36 37 CONECT 17 18 38 CONECT 18 19 39 40 CONECT 19 41 42 END