COMPND HMDB0038586 HETATM 1 C1 UNL 1 -5.684 1.895 -3.617 1.00 0.00 C HETATM 2 O1 UNL 1 -4.331 1.518 -3.494 1.00 0.00 O HETATM 3 C2 UNL 1 -3.715 1.410 -2.224 1.00 0.00 C HETATM 4 C3 UNL 1 -3.725 2.518 -1.482 1.00 0.00 C HETATM 5 C4 UNL 1 -3.127 2.513 -0.166 1.00 0.00 C HETATM 6 C5 UNL 1 -2.583 1.437 0.294 1.00 0.00 C HETATM 7 C6 UNL 1 -1.968 1.381 1.646 1.00 0.00 C HETATM 8 C7 UNL 1 -2.664 0.290 2.450 1.00 0.00 C HETATM 9 C8 UNL 1 -3.577 -0.570 1.661 1.00 0.00 C HETATM 10 C9 UNL 1 -4.559 -1.331 2.297 1.00 0.00 C HETATM 11 C10 UNL 1 -5.473 -2.039 1.498 1.00 0.00 C HETATM 12 C11 UNL 1 -5.433 -2.005 0.112 1.00 0.00 C HETATM 13 O2 UNL 1 -6.331 -2.699 -0.671 1.00 0.00 O HETATM 14 C12 UNL 1 -7.323 -3.469 -0.035 1.00 0.00 C HETATM 15 C13 UNL 1 -4.433 -1.229 -0.500 1.00 0.00 C HETATM 16 C14 UNL 1 -3.600 -0.592 0.321 1.00 0.00 C HETATM 17 C15 UNL 1 -2.554 0.138 -0.433 1.00 0.00 C HETATM 18 C16 UNL 1 -1.212 -0.474 -0.395 1.00 0.00 C HETATM 19 C17 UNL 1 -0.537 -0.308 0.922 1.00 0.00 C HETATM 20 C18 UNL 1 0.906 -0.771 0.858 1.00 0.00 C HETATM 21 C19 UNL 1 1.452 -1.259 -0.210 1.00 0.00 C HETATM 22 C20 UNL 1 2.872 -1.700 -0.225 1.00 0.00 C HETATM 23 O3 UNL 1 2.930 -3.042 0.160 1.00 0.00 O HETATM 24 C21 UNL 1 3.508 -1.611 -1.591 1.00 0.00 C HETATM 25 C22 UNL 1 3.671 -0.248 -2.150 1.00 0.00 C HETATM 26 C23 UNL 1 3.726 0.796 -1.132 1.00 0.00 C HETATM 27 C24 UNL 1 3.747 2.162 -1.431 1.00 0.00 C HETATM 28 C25 UNL 1 3.771 3.113 -0.409 1.00 0.00 C HETATM 29 C26 UNL 1 3.772 2.691 0.914 1.00 0.00 C HETATM 30 O4 UNL 1 3.795 3.632 1.906 1.00 0.00 O HETATM 31 C27 UNL 1 3.818 5.026 1.659 1.00 0.00 C HETATM 32 C28 UNL 1 3.752 1.356 1.243 1.00 0.00 C HETATM 33 C29 UNL 1 3.731 0.481 0.181 1.00 0.00 C HETATM 34 C30 UNL 1 3.732 -0.916 0.700 1.00 0.00 C HETATM 35 C31 UNL 1 5.096 -1.492 0.746 1.00 0.00 C HETATM 36 C32 UNL 1 5.678 -1.798 -0.577 1.00 0.00 C HETATM 37 N1 UNL 1 4.761 -2.349 -1.534 1.00 0.00 N HETATM 38 C33 UNL 1 4.596 -3.762 -1.466 1.00 0.00 C HETATM 39 C34 UNL 1 3.160 -0.675 2.079 1.00 0.00 C HETATM 40 O5 UNL 1 3.741 0.605 2.440 1.00 0.00 O HETATM 41 C35 UNL 1 1.699 -0.653 2.084 1.00 0.00 C HETATM 42 O6 UNL 1 1.116 -0.525 3.198 1.00 0.00 O HETATM 43 N2 UNL 1 -0.562 1.031 1.437 1.00 0.00 N HETATM 44 C36 UNL 1 -0.030 2.000 0.500 1.00 0.00 C HETATM 45 C37 UNL 1 -3.124 0.135 -1.826 1.00 0.00 C HETATM 46 O7 UNL 1 -4.060 -0.916 -1.809 1.00 0.00 O HETATM 47 H1 UNL 1 -6.376 1.200 -3.103 1.00 0.00 H HETATM 48 H2 UNL 1 -5.782 2.910 -3.175 1.00 0.00 H HETATM 49 H3 UNL 1 -5.931 1.885 -4.689 1.00 0.00 H HETATM 50 H4 UNL 1 -4.184 3.413 -1.880 1.00 0.00 H HETATM 51 H5 UNL 1 -3.153 3.437 0.411 1.00 0.00 H HETATM 52 H6 UNL 1 -1.973 2.357 2.147 1.00 0.00 H HETATM 53 H7 UNL 1 -2.028 -0.225 3.168 1.00 0.00 H HETATM 54 H8 UNL 1 -3.380 0.890 3.120 1.00 0.00 H HETATM 55 H9 UNL 1 -4.619 -1.377 3.372 1.00 0.00 H HETATM 56 H10 UNL 1 -6.254 -2.648 1.980 1.00 0.00 H HETATM 57 H11 UNL 1 -7.883 -2.885 0.738 1.00 0.00 H HETATM 58 H12 UNL 1 -8.095 -3.809 -0.764 1.00 0.00 H HETATM 59 H13 UNL 1 -6.838 -4.322 0.472 1.00 0.00 H HETATM 60 H14 UNL 1 -0.589 0.052 -1.177 1.00 0.00 H HETATM 61 H15 UNL 1 -1.223 -1.577 -0.618 1.00 0.00 H HETATM 62 H16 UNL 1 -1.090 -0.961 1.641 1.00 0.00 H HETATM 63 H17 UNL 1 0.871 -1.353 -1.119 1.00 0.00 H HETATM 64 H18 UNL 1 2.047 -3.382 0.449 1.00 0.00 H HETATM 65 H19 UNL 1 2.853 -2.197 -2.279 1.00 0.00 H HETATM 66 H20 UNL 1 2.795 -0.023 -2.820 1.00 0.00 H HETATM 67 H21 UNL 1 4.598 -0.225 -2.764 1.00 0.00 H HETATM 68 H22 UNL 1 3.745 2.450 -2.476 1.00 0.00 H HETATM 69 H23 UNL 1 3.788 4.170 -0.642 1.00 0.00 H HETATM 70 H24 UNL 1 2.827 5.319 1.214 1.00 0.00 H HETATM 71 H25 UNL 1 4.043 5.589 2.571 1.00 0.00 H HETATM 72 H26 UNL 1 4.585 5.303 0.906 1.00 0.00 H HETATM 73 H27 UNL 1 5.116 -2.342 1.462 1.00 0.00 H HETATM 74 H28 UNL 1 5.761 -0.712 1.224 1.00 0.00 H HETATM 75 H29 UNL 1 6.197 -0.884 -0.989 1.00 0.00 H HETATM 76 H30 UNL 1 6.500 -2.541 -0.442 1.00 0.00 H HETATM 77 H31 UNL 1 4.846 -4.208 -0.492 1.00 0.00 H HETATM 78 H32 UNL 1 5.323 -4.213 -2.205 1.00 0.00 H HETATM 79 H33 UNL 1 3.595 -4.041 -1.848 1.00 0.00 H HETATM 80 H34 UNL 1 3.586 -1.414 2.765 1.00 0.00 H HETATM 81 H35 UNL 1 -0.175 3.014 0.947 1.00 0.00 H HETATM 82 H36 UNL 1 1.011 1.815 0.224 1.00 0.00 H HETATM 83 H37 UNL 1 -0.663 1.977 -0.405 1.00 0.00 H HETATM 84 H38 UNL 1 -2.279 -0.135 -2.551 1.00 0.00 H CONECT 1 2 47 48 49 CONECT 2 3 CONECT 3 4 4 45 CONECT 4 5 50 CONECT 5 6 6 51 CONECT 6 7 17 CONECT 7 8 43 52 CONECT 8 9 53 54 CONECT 9 10 10 16 CONECT 10 11 55 CONECT 11 12 12 56 CONECT 12 13 15 CONECT 13 14 CONECT 14 57 58 59 CONECT 15 16 16 46 CONECT 16 17 CONECT 17 18 45 CONECT 18 19 60 61 CONECT 19 20 43 62 CONECT 20 21 21 41 CONECT 21 22 63 CONECT 22 23 24 34 CONECT 23 64 CONECT 24 25 37 65 CONECT 25 26 66 67 CONECT 26 27 27 33 CONECT 27 28 68 CONECT 28 29 29 69 CONECT 29 30 32 CONECT 30 31 CONECT 31 70 71 72 CONECT 32 33 33 40 CONECT 33 34 CONECT 34 35 39 CONECT 35 36 73 74 CONECT 36 37 75 76 CONECT 37 38 CONECT 38 77 78 79 CONECT 39 40 41 80 CONECT 41 42 42 CONECT 43 44 CONECT 44 81 82 83 CONECT 45 46 84 END