COMPND HMDB0033267 HETATM 1 O1 UNL 1 2.609 -4.208 5.306 1.00 0.00 O HETATM 2 C1 UNL 1 1.939 -3.601 4.418 1.00 0.00 C HETATM 3 C2 UNL 1 2.603 -2.775 3.461 1.00 0.00 C HETATM 4 C3 UNL 1 1.927 -2.086 2.484 1.00 0.00 C HETATM 5 C4 UNL 1 2.741 -1.293 1.588 1.00 0.00 C HETATM 6 C5 UNL 1 2.528 -0.384 0.690 1.00 0.00 C HETATM 7 O2 UNL 1 1.313 0.151 0.323 1.00 0.00 O HETATM 8 C6 UNL 1 3.745 0.090 0.017 1.00 0.00 C HETATM 9 C7 UNL 1 3.896 0.983 -0.926 1.00 0.00 C HETATM 10 C8 UNL 1 2.824 1.707 -1.517 1.00 0.00 C HETATM 11 O3 UNL 1 1.604 1.667 -1.333 1.00 0.00 O HETATM 12 O4 UNL 1 3.147 2.682 -2.522 1.00 0.00 O HETATM 13 C9 UNL 1 5.273 1.277 -1.410 1.00 0.00 C HETATM 14 C10 UNL 1 6.324 1.419 -0.534 1.00 0.00 C HETATM 15 C11 UNL 1 7.625 1.680 -0.923 1.00 0.00 C HETATM 16 C12 UNL 1 7.889 1.808 -2.292 1.00 0.00 C HETATM 17 O5 UNL 1 9.179 2.071 -2.727 1.00 0.00 O HETATM 18 C13 UNL 1 6.823 1.663 -3.160 1.00 0.00 C HETATM 19 C14 UNL 1 5.529 1.402 -2.755 1.00 0.00 C HETATM 20 O6 UNL 1 4.777 -0.609 0.572 1.00 0.00 O HETATM 21 C15 UNL 1 4.234 -1.448 1.513 1.00 0.00 C HETATM 22 O7 UNL 1 4.972 -2.221 2.182 1.00 0.00 O HETATM 23 C16 UNL 1 0.495 -2.243 2.428 1.00 0.00 C HETATM 24 C17 UNL 1 -0.251 -1.707 1.407 1.00 0.00 C HETATM 25 C18 UNL 1 -1.629 -1.876 1.231 1.00 0.00 C HETATM 26 C19 UNL 1 -2.268 -1.267 0.065 1.00 0.00 C HETATM 27 C20 UNL 1 -3.332 -0.493 -0.028 1.00 0.00 C HETATM 28 O8 UNL 1 -4.092 -0.089 1.071 1.00 0.00 O HETATM 29 C21 UNL 1 -3.600 -0.125 -1.403 1.00 0.00 C HETATM 30 C22 UNL 1 -4.544 0.624 -1.950 1.00 0.00 C HETATM 31 C23 UNL 1 -4.578 0.837 -3.411 1.00 0.00 C HETATM 32 O9 UNL 1 -5.471 1.547 -3.884 1.00 0.00 O HETATM 33 O10 UNL 1 -3.642 0.264 -4.255 1.00 0.00 O HETATM 34 C24 UNL 1 -5.558 1.205 -1.107 1.00 0.00 C HETATM 35 C25 UNL 1 -5.758 2.584 -1.124 1.00 0.00 C HETATM 36 C26 UNL 1 -6.717 3.214 -0.395 1.00 0.00 C HETATM 37 C27 UNL 1 -7.553 2.447 0.420 1.00 0.00 C HETATM 38 O11 UNL 1 -8.533 3.070 1.171 1.00 0.00 O HETATM 39 C28 UNL 1 -7.384 1.081 0.460 1.00 0.00 C HETATM 40 C29 UNL 1 -6.381 0.473 -0.310 1.00 0.00 C HETATM 41 O12 UNL 1 -2.609 -0.734 -2.200 1.00 0.00 O HETATM 42 C30 UNL 1 -1.795 -1.429 -1.323 1.00 0.00 C HETATM 43 O13 UNL 1 -0.802 -2.090 -1.716 1.00 0.00 O HETATM 44 C31 UNL 1 -2.274 -2.651 2.163 1.00 0.00 C HETATM 45 C32 UNL 1 -1.563 -3.225 3.204 1.00 0.00 C HETATM 46 C33 UNL 1 -0.215 -3.042 3.343 1.00 0.00 C HETATM 47 C34 UNL 1 0.513 -3.764 4.402 1.00 0.00 C HETATM 48 O14 UNL 1 -0.122 -4.458 5.206 1.00 0.00 O HETATM 49 H1 UNL 1 3.671 -2.670 3.533 1.00 0.00 H HETATM 50 H2 UNL 1 0.958 0.865 1.027 1.00 0.00 H HETATM 51 H3 UNL 1 3.845 3.352 -2.198 1.00 0.00 H HETATM 52 H4 UNL 1 6.141 1.326 0.530 1.00 0.00 H HETATM 53 H5 UNL 1 8.447 1.790 -0.234 1.00 0.00 H HETATM 54 H6 UNL 1 9.859 1.371 -2.956 1.00 0.00 H HETATM 55 H7 UNL 1 7.024 1.762 -4.220 1.00 0.00 H HETATM 56 H8 UNL 1 4.726 1.290 -3.464 1.00 0.00 H HETATM 57 H9 UNL 1 0.241 -1.227 0.618 1.00 0.00 H HETATM 58 H10 UNL 1 -3.744 0.735 1.563 1.00 0.00 H HETATM 59 H11 UNL 1 -3.758 -0.694 -4.616 1.00 0.00 H HETATM 60 H12 UNL 1 -5.118 3.189 -1.750 1.00 0.00 H HETATM 61 H13 UNL 1 -6.890 4.283 -0.394 1.00 0.00 H HETATM 62 H14 UNL 1 -9.459 3.233 0.837 1.00 0.00 H HETATM 63 H15 UNL 1 -8.032 0.503 1.088 1.00 0.00 H HETATM 64 H16 UNL 1 -6.322 -0.591 -0.244 1.00 0.00 H HETATM 65 H17 UNL 1 -3.347 -2.798 2.057 1.00 0.00 H HETATM 66 H18 UNL 1 -2.081 -3.848 3.947 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 47 CONECT 3 4 4 49 CONECT 4 5 23 CONECT 5 6 6 21 CONECT 6 7 8 CONECT 7 50 CONECT 8 9 9 20 CONECT 9 10 13 CONECT 10 11 11 12 CONECT 12 51 CONECT 13 14 14 19 CONECT 14 15 52 CONECT 15 16 16 53 CONECT 16 17 18 CONECT 17 54 CONECT 18 19 19 55 CONECT 19 56 CONECT 20 21 CONECT 21 22 22 CONECT 23 24 24 46 CONECT 24 25 57 CONECT 25 26 44 44 CONECT 26 27 27 42 CONECT 27 28 29 CONECT 28 58 CONECT 29 30 30 41 CONECT 30 31 34 CONECT 31 32 32 33 CONECT 33 59 CONECT 34 35 35 40 CONECT 35 36 60 CONECT 36 37 37 61 CONECT 37 38 39 CONECT 38 62 CONECT 39 40 40 63 CONECT 40 64 CONECT 41 42 CONECT 42 43 43 CONECT 44 45 65 CONECT 45 46 46 66 CONECT 46 47 CONECT 47 48 48 END