COMPND HMDB0014448 HETATM 1 C1 UNL 1 -6.957 0.419 -1.253 1.00 0.00 C HETATM 2 C2 UNL 1 -6.891 -0.881 -0.464 1.00 0.00 C HETATM 3 O1 UNL 1 -6.609 -1.943 -1.311 1.00 0.00 O HETATM 4 C3 UNL 1 -5.815 -0.714 0.591 1.00 0.00 C HETATM 5 C4 UNL 1 -5.647 -1.922 1.454 1.00 0.00 C HETATM 6 O2 UNL 1 -6.398 -2.817 1.900 1.00 0.00 O HETATM 7 N1 UNL 1 -4.279 -1.588 1.525 1.00 0.00 N HETATM 8 C5 UNL 1 -2.930 -1.393 1.903 1.00 0.00 C HETATM 9 C6 UNL 1 -2.265 -2.130 2.962 1.00 0.00 C HETATM 10 O3 UNL 1 -2.866 -3.022 3.635 1.00 0.00 O HETATM 11 O4 UNL 1 -0.940 -1.851 3.247 1.00 0.00 O HETATM 12 C7 UNL 1 -2.342 -0.449 1.168 1.00 0.00 C HETATM 13 S1 UNL 1 -0.656 0.111 1.307 1.00 0.00 S HETATM 14 C8 UNL 1 -0.160 1.309 0.086 1.00 0.00 C HETATM 15 C9 UNL 1 -0.105 0.729 -1.286 1.00 0.00 C HETATM 16 N2 UNL 1 0.964 1.449 -1.944 1.00 0.00 N HETATM 17 C10 UNL 1 1.940 1.787 -0.963 1.00 0.00 C HETATM 18 C11 UNL 1 3.133 0.862 -1.087 1.00 0.00 C HETATM 19 O5 UNL 1 3.127 -0.025 -1.945 1.00 0.00 O HETATM 20 N3 UNL 1 4.202 1.059 -0.209 1.00 0.00 N HETATM 21 C12 UNL 1 5.402 0.326 -0.138 1.00 0.00 C HETATM 22 C13 UNL 1 5.611 -0.837 -0.838 1.00 0.00 C HETATM 23 C14 UNL 1 6.853 -1.465 -0.695 1.00 0.00 C HETATM 24 C15 UNL 1 7.825 -0.931 0.117 1.00 0.00 C HETATM 25 C16 UNL 1 7.627 0.237 0.825 1.00 0.00 C HETATM 26 C17 UNL 1 8.680 0.773 1.677 1.00 0.00 C HETATM 27 O6 UNL 1 8.507 1.833 2.312 1.00 0.00 O HETATM 28 O7 UNL 1 9.883 0.105 1.786 1.00 0.00 O HETATM 29 C18 UNL 1 6.410 0.851 0.686 1.00 0.00 C HETATM 30 C19 UNL 1 1.296 1.667 0.377 1.00 0.00 C HETATM 31 C20 UNL 1 -3.371 0.030 0.219 1.00 0.00 C HETATM 32 C21 UNL 1 -3.900 1.388 0.523 1.00 0.00 C HETATM 33 C22 UNL 1 -4.432 -1.034 0.165 1.00 0.00 C HETATM 34 H1 UNL 1 -7.967 0.524 -1.743 1.00 0.00 H HETATM 35 H2 UNL 1 -6.152 0.489 -2.006 1.00 0.00 H HETATM 36 H3 UNL 1 -6.877 1.305 -0.595 1.00 0.00 H HETATM 37 H4 UNL 1 -7.882 -1.065 -0.008 1.00 0.00 H HETATM 38 H5 UNL 1 -7.066 -2.741 -0.965 1.00 0.00 H HETATM 39 H6 UNL 1 -5.921 0.158 1.231 1.00 0.00 H HETATM 40 H7 UNL 1 -0.334 -2.521 3.708 1.00 0.00 H HETATM 41 H8 UNL 1 -0.776 2.242 0.103 1.00 0.00 H HETATM 42 H9 UNL 1 -1.041 0.871 -1.877 1.00 0.00 H HETATM 43 H10 UNL 1 0.157 -0.348 -1.233 1.00 0.00 H HETATM 44 H11 UNL 1 1.396 0.799 -2.642 1.00 0.00 H HETATM 45 H12 UNL 1 2.306 2.839 -1.082 1.00 0.00 H HETATM 46 H13 UNL 1 4.077 1.864 0.487 1.00 0.00 H HETATM 47 H14 UNL 1 4.851 -1.264 -1.470 1.00 0.00 H HETATM 48 H15 UNL 1 6.993 -2.389 -1.263 1.00 0.00 H HETATM 49 H16 UNL 1 8.786 -1.426 0.221 1.00 0.00 H HETATM 50 H17 UNL 1 10.493 -0.147 1.020 1.00 0.00 H HETATM 51 H18 UNL 1 6.256 1.779 1.251 1.00 0.00 H HETATM 52 H19 UNL 1 1.744 0.899 1.028 1.00 0.00 H HETATM 53 H20 UNL 1 1.333 2.613 0.963 1.00 0.00 H HETATM 54 H21 UNL 1 -2.916 0.060 -0.787 1.00 0.00 H HETATM 55 H22 UNL 1 -4.371 1.404 1.528 1.00 0.00 H HETATM 56 H23 UNL 1 -3.085 2.138 0.578 1.00 0.00 H HETATM 57 H24 UNL 1 -4.564 1.750 -0.289 1.00 0.00 H HETATM 58 H25 UNL 1 -4.338 -1.765 -0.644 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 4 37 CONECT 3 38 CONECT 4 5 33 39 CONECT 5 6 6 7 CONECT 7 8 33 CONECT 8 9 12 12 CONECT 9 10 10 11 CONECT 11 40 CONECT 12 13 31 CONECT 13 14 CONECT 14 15 30 41 CONECT 15 16 42 43 CONECT 16 17 44 CONECT 17 18 30 45 CONECT 18 19 19 20 CONECT 20 21 46 CONECT 21 22 22 29 CONECT 22 23 47 CONECT 23 24 24 48 CONECT 24 25 49 CONECT 25 26 29 29 CONECT 26 27 27 28 CONECT 28 50 CONECT 29 51 CONECT 30 52 53 CONECT 31 32 33 54 CONECT 32 55 56 57 CONECT 33 58 END