COMPND HMDB0015481 HETATM 1 O1 UNL 1 -1.798 -2.957 -0.635 1.00 0.00 O HETATM 2 C1 UNL 1 -1.673 -1.837 -0.043 1.00 0.00 C HETATM 3 N1 UNL 1 -2.717 -0.935 0.137 1.00 0.00 N HETATM 4 C2 UNL 1 -4.037 -1.138 -0.309 1.00 0.00 C HETATM 5 C3 UNL 1 -4.506 -2.224 -0.997 1.00 0.00 C HETATM 6 C4 UNL 1 -5.830 -2.373 -1.414 1.00 0.00 C HETATM 7 C5 UNL 1 -6.728 -1.375 -1.122 1.00 0.00 C HETATM 8 C6 UNL 1 -8.055 -1.457 -1.505 1.00 0.00 C HETATM 9 O2 UNL 1 -8.413 -2.482 -2.133 1.00 0.00 O HETATM 10 C7 UNL 1 -8.885 -0.421 -1.176 1.00 0.00 C HETATM 11 C8 UNL 1 -8.446 0.688 -0.484 1.00 0.00 C HETATM 12 C9 UNL 1 -9.332 1.791 -0.134 1.00 0.00 C HETATM 13 N2 UNL 1 -10.642 1.898 -0.413 1.00 0.00 N HETATM 14 N3 UNL 1 -11.095 3.063 0.080 1.00 0.00 N HETATM 15 N4 UNL 1 -10.082 3.683 0.664 1.00 0.00 N HETATM 16 N5 UNL 1 -9.011 2.911 0.535 1.00 0.00 N HETATM 17 O3 UNL 1 -7.189 0.710 -0.150 1.00 0.00 O HETATM 18 C10 UNL 1 -6.321 -0.258 -0.434 1.00 0.00 C HETATM 19 C11 UNL 1 -5.009 -0.153 -0.043 1.00 0.00 C HETATM 20 C12 UNL 1 -0.301 -1.577 0.442 1.00 0.00 C HETATM 21 C13 UNL 1 0.659 -2.574 0.489 1.00 0.00 C HETATM 22 C14 UNL 1 1.938 -2.334 0.935 1.00 0.00 C HETATM 23 C15 UNL 1 2.310 -1.078 1.355 1.00 0.00 C HETATM 24 O4 UNL 1 3.620 -0.842 1.810 1.00 0.00 O HETATM 25 C16 UNL 1 3.941 0.475 2.229 1.00 0.00 C HETATM 26 C17 UNL 1 5.370 0.582 2.689 1.00 0.00 C HETATM 27 C18 UNL 1 6.353 0.215 1.605 1.00 0.00 C HETATM 28 C19 UNL 1 6.167 1.138 0.450 1.00 0.00 C HETATM 29 C20 UNL 1 7.073 0.884 -0.671 1.00 0.00 C HETATM 30 C21 UNL 1 8.307 1.480 -0.793 1.00 0.00 C HETATM 31 C22 UNL 1 9.146 1.225 -1.859 1.00 0.00 C HETATM 32 C23 UNL 1 8.706 0.333 -2.824 1.00 0.00 C HETATM 33 C24 UNL 1 7.479 -0.286 -2.742 1.00 0.00 C HETATM 34 C25 UNL 1 6.680 0.006 -1.655 1.00 0.00 C HETATM 35 C26 UNL 1 1.381 -0.066 1.322 1.00 0.00 C HETATM 36 C27 UNL 1 0.088 -0.332 0.865 1.00 0.00 C HETATM 37 H1 UNL 1 -2.480 -0.031 0.656 1.00 0.00 H HETATM 38 H2 UNL 1 -3.852 -3.032 -1.253 1.00 0.00 H HETATM 39 H3 UNL 1 -6.164 -3.239 -1.953 1.00 0.00 H HETATM 40 H4 UNL 1 -9.923 -0.460 -1.462 1.00 0.00 H HETATM 41 H5 UNL 1 -10.139 4.628 1.145 1.00 0.00 H HETATM 42 H6 UNL 1 -4.692 0.723 0.497 1.00 0.00 H HETATM 43 H7 UNL 1 0.363 -3.562 0.157 1.00 0.00 H HETATM 44 H8 UNL 1 2.693 -3.133 0.968 1.00 0.00 H HETATM 45 H9 UNL 1 3.695 1.247 1.476 1.00 0.00 H HETATM 46 H10 UNL 1 3.256 0.660 3.110 1.00 0.00 H HETATM 47 H11 UNL 1 5.560 1.661 2.926 1.00 0.00 H HETATM 48 H12 UNL 1 5.532 0.007 3.617 1.00 0.00 H HETATM 49 H13 UNL 1 7.369 0.313 2.055 1.00 0.00 H HETATM 50 H14 UNL 1 6.196 -0.857 1.326 1.00 0.00 H HETATM 51 H15 UNL 1 5.138 1.068 0.069 1.00 0.00 H HETATM 52 H16 UNL 1 6.284 2.181 0.835 1.00 0.00 H HETATM 53 H17 UNL 1 8.621 2.167 -0.027 1.00 0.00 H HETATM 54 H18 UNL 1 10.119 1.678 -1.978 1.00 0.00 H HETATM 55 H19 UNL 1 9.369 0.130 -3.669 1.00 0.00 H HETATM 56 H20 UNL 1 7.125 -0.982 -3.489 1.00 0.00 H HETATM 57 H21 UNL 1 5.699 -0.489 -1.590 1.00 0.00 H HETATM 58 H22 UNL 1 1.679 0.917 1.653 1.00 0.00 H HETATM 59 H23 UNL 1 -0.595 0.516 0.862 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 20 CONECT 3 4 37 CONECT 4 5 5 19 CONECT 5 6 38 CONECT 6 7 7 39 CONECT 7 8 18 CONECT 8 9 9 10 CONECT 10 11 11 40 CONECT 11 12 17 CONECT 12 13 16 16 CONECT 13 14 14 CONECT 14 15 CONECT 15 16 41 CONECT 17 18 CONECT 18 19 19 CONECT 19 42 CONECT 20 21 21 36 CONECT 21 22 43 CONECT 22 23 23 44 CONECT 23 24 35 CONECT 24 25 CONECT 25 26 45 46 CONECT 26 27 47 48 CONECT 27 28 49 50 CONECT 28 29 51 52 CONECT 29 30 30 34 CONECT 30 31 53 CONECT 31 32 32 54 CONECT 32 33 55 CONECT 33 34 34 56 CONECT 34 57 CONECT 35 36 36 58 CONECT 36 59 END