COMPND HMDB0034711 HETATM 1 C1 UNL 1 -9.492 0.629 0.615 1.00 0.00 C HETATM 2 C2 UNL 1 -8.034 0.386 0.485 1.00 0.00 C HETATM 3 O1 UNL 1 -7.588 -0.722 0.060 1.00 0.00 O HETATM 4 O2 UNL 1 -7.104 1.358 0.821 1.00 0.00 O HETATM 5 C3 UNL 1 -5.732 1.124 0.696 1.00 0.00 C HETATM 6 C4 UNL 1 -5.116 1.433 -0.496 1.00 0.00 C HETATM 7 C5 UNL 1 -3.762 1.188 -0.582 1.00 0.00 C HETATM 8 C6 UNL 1 -3.049 0.651 0.490 1.00 0.00 C HETATM 9 C7 UNL 1 -1.629 0.444 0.255 1.00 0.00 C HETATM 10 C8 UNL 1 -1.199 -0.722 -0.356 1.00 0.00 C HETATM 11 O3 UNL 1 -2.103 -1.698 -0.740 1.00 0.00 O HETATM 12 C9 UNL 1 -2.744 -1.748 -1.947 1.00 0.00 C HETATM 13 C10 UNL 1 -3.705 -2.848 -2.268 1.00 0.00 C HETATM 14 O4 UNL 1 -2.526 -0.861 -2.798 1.00 0.00 O HETATM 15 C11 UNL 1 0.168 -0.909 -0.584 1.00 0.00 C HETATM 16 O5 UNL 1 0.637 -2.063 -1.194 1.00 0.00 O HETATM 17 C12 UNL 1 0.782 -2.215 -2.555 1.00 0.00 C HETATM 18 C13 UNL 1 1.288 -3.484 -3.105 1.00 0.00 C HETATM 19 O6 UNL 1 0.484 -1.279 -3.321 1.00 0.00 O HETATM 20 C14 UNL 1 1.052 0.074 -0.193 1.00 0.00 C HETATM 21 C15 UNL 1 0.602 1.249 0.424 1.00 0.00 C HETATM 22 O7 UNL 1 1.608 2.033 0.706 1.00 0.00 O HETATM 23 C16 UNL 1 2.718 1.447 0.310 1.00 0.00 C HETATM 24 C17 UNL 1 4.047 1.845 0.373 1.00 0.00 C HETATM 25 C18 UNL 1 5.025 1.016 -0.128 1.00 0.00 C HETATM 26 O8 UNL 1 6.355 1.405 -0.073 1.00 0.00 O HETATM 27 C19 UNL 1 7.170 1.192 1.005 1.00 0.00 C HETATM 28 C20 UNL 1 8.581 1.651 0.949 1.00 0.00 C HETATM 29 O9 UNL 1 6.709 0.603 2.041 1.00 0.00 O HETATM 30 C21 UNL 1 4.750 -0.202 -0.694 1.00 0.00 C HETATM 31 O10 UNL 1 5.751 -1.013 -1.189 1.00 0.00 O HETATM 32 C22 UNL 1 6.296 -1.982 -0.369 1.00 0.00 C HETATM 33 C23 UNL 1 7.371 -2.874 -0.849 1.00 0.00 C HETATM 34 O11 UNL 1 5.860 -2.094 0.800 1.00 0.00 O HETATM 35 C24 UNL 1 3.419 -0.592 -0.752 1.00 0.00 C HETATM 36 C25 UNL 1 2.432 0.229 -0.255 1.00 0.00 C HETATM 37 C26 UNL 1 -0.756 1.427 0.647 1.00 0.00 C HETATM 38 O12 UNL 1 -1.276 2.557 1.250 1.00 0.00 O HETATM 39 C27 UNL 1 -1.460 2.672 2.619 1.00 0.00 C HETATM 40 C28 UNL 1 -2.017 3.875 3.280 1.00 0.00 C HETATM 41 O13 UNL 1 -1.133 1.694 3.338 1.00 0.00 O HETATM 42 C29 UNL 1 -3.686 0.356 1.654 1.00 0.00 C HETATM 43 C30 UNL 1 -5.039 0.593 1.762 1.00 0.00 C HETATM 44 H1 UNL 1 -9.916 1.075 -0.319 1.00 0.00 H HETATM 45 H2 UNL 1 -9.971 -0.356 0.775 1.00 0.00 H HETATM 46 H3 UNL 1 -9.720 1.267 1.480 1.00 0.00 H HETATM 47 H4 UNL 1 -5.721 1.846 -1.290 1.00 0.00 H HETATM 48 H5 UNL 1 -3.288 1.436 -1.519 1.00 0.00 H HETATM 49 H6 UNL 1 -3.651 -3.630 -1.466 1.00 0.00 H HETATM 50 H7 UNL 1 -3.449 -3.345 -3.220 1.00 0.00 H HETATM 51 H8 UNL 1 -4.750 -2.461 -2.238 1.00 0.00 H HETATM 52 H9 UNL 1 2.131 -3.873 -2.476 1.00 0.00 H HETATM 53 H10 UNL 1 0.511 -4.286 -3.127 1.00 0.00 H HETATM 54 H11 UNL 1 1.671 -3.391 -4.136 1.00 0.00 H HETATM 55 H12 UNL 1 4.272 2.812 0.821 1.00 0.00 H HETATM 56 H13 UNL 1 9.198 0.763 0.671 1.00 0.00 H HETATM 57 H14 UNL 1 8.944 1.981 1.948 1.00 0.00 H HETATM 58 H15 UNL 1 8.684 2.410 0.176 1.00 0.00 H HETATM 59 H16 UNL 1 6.950 -3.791 -1.332 1.00 0.00 H HETATM 60 H17 UNL 1 7.979 -2.387 -1.660 1.00 0.00 H HETATM 61 H18 UNL 1 8.026 -3.176 -0.005 1.00 0.00 H HETATM 62 H19 UNL 1 3.198 -1.533 -1.186 1.00 0.00 H HETATM 63 H20 UNL 1 -2.619 4.493 2.587 1.00 0.00 H HETATM 64 H21 UNL 1 -1.174 4.470 3.683 1.00 0.00 H HETATM 65 H22 UNL 1 -2.620 3.566 4.182 1.00 0.00 H HETATM 66 H23 UNL 1 -3.106 -0.059 2.469 1.00 0.00 H HETATM 67 H24 UNL 1 -5.534 0.352 2.697 1.00 0.00 H CONECT 1 2 44 45 46 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 6 43 CONECT 6 7 47 CONECT 7 8 8 48 CONECT 8 9 42 CONECT 9 10 10 37 CONECT 10 11 15 CONECT 11 12 CONECT 12 13 14 14 CONECT 13 49 50 51 CONECT 15 16 20 20 CONECT 16 17 CONECT 17 18 19 19 CONECT 18 52 53 54 CONECT 20 21 36 CONECT 21 22 37 37 CONECT 22 23 CONECT 23 24 24 36 CONECT 24 25 55 CONECT 25 26 30 30 CONECT 26 27 CONECT 27 28 29 29 CONECT 28 56 57 58 CONECT 30 31 35 CONECT 31 32 CONECT 32 33 34 34 CONECT 33 59 60 61 CONECT 35 36 36 62 CONECT 37 38 CONECT 38 39 CONECT 39 40 41 41 CONECT 40 63 64 65 CONECT 42 43 43 66 CONECT 43 67 END