COMPND HMDB0015388 HETATM 1 C1 UNL 1 9.242 1.608 1.678 1.00 0.00 C HETATM 2 S1 UNL 1 8.463 1.983 0.123 1.00 0.00 S HETATM 3 O1 UNL 1 6.995 2.013 0.325 1.00 0.00 O HETATM 4 O2 UNL 1 8.885 3.342 -0.370 1.00 0.00 O HETATM 5 C2 UNL 1 8.951 0.784 -1.094 1.00 0.00 C HETATM 6 C3 UNL 1 8.537 -0.620 -0.661 1.00 0.00 C HETATM 7 N1 UNL 1 7.115 -0.641 -0.512 1.00 0.00 N HETATM 8 C4 UNL 1 6.590 -1.904 -0.107 1.00 0.00 C HETATM 9 C5 UNL 1 5.110 -1.822 0.018 1.00 0.00 C HETATM 10 C6 UNL 1 4.229 -2.821 0.385 1.00 0.00 C HETATM 11 C7 UNL 1 2.975 -2.252 0.352 1.00 0.00 C HETATM 12 C8 UNL 1 3.128 -0.942 -0.029 1.00 0.00 C HETATM 13 C9 UNL 1 2.133 0.093 -0.218 1.00 0.00 C HETATM 14 C10 UNL 1 2.473 1.365 -0.606 1.00 0.00 C HETATM 15 C11 UNL 1 1.536 2.346 -0.787 1.00 0.00 C HETATM 16 C12 UNL 1 0.211 2.066 -0.578 1.00 0.00 C HETATM 17 N2 UNL 1 -0.743 3.011 -0.746 1.00 0.00 N HETATM 18 C13 UNL 1 -2.048 2.768 -0.548 1.00 0.00 C HETATM 19 N3 UNL 1 -2.436 1.552 -0.172 1.00 0.00 N HETATM 20 C14 UNL 1 -1.568 0.551 0.020 1.00 0.00 C HETATM 21 N4 UNL 1 -1.977 -0.740 0.386 1.00 0.00 N HETATM 22 C15 UNL 1 -3.361 -1.019 0.638 1.00 0.00 C HETATM 23 C16 UNL 1 -4.287 -0.100 1.018 1.00 0.00 C HETATM 24 C17 UNL 1 -5.615 -0.488 1.206 1.00 0.00 C HETATM 25 C18 UNL 1 -6.059 -1.770 1.027 1.00 0.00 C HETATM 26 O3 UNL 1 -7.364 -2.198 1.203 1.00 0.00 O HETATM 27 C19 UNL 1 -8.345 -1.268 1.584 1.00 0.00 C HETATM 28 C20 UNL 1 -8.529 -0.187 0.585 1.00 0.00 C HETATM 29 C21 UNL 1 -8.017 -0.375 -0.699 1.00 0.00 C HETATM 30 C22 UNL 1 -8.179 0.612 -1.631 1.00 0.00 C HETATM 31 C23 UNL 1 -8.841 1.787 -1.310 1.00 0.00 C HETATM 32 C24 UNL 1 -9.336 1.956 -0.051 1.00 0.00 C HETATM 33 F1 UNL 1 -9.989 3.108 0.272 1.00 0.00 F HETATM 34 C25 UNL 1 -9.185 0.983 0.893 1.00 0.00 C HETATM 35 C26 UNL 1 -5.079 -2.690 0.638 1.00 0.00 C HETATM 36 CL1 UNL 1 -5.606 -4.355 0.398 1.00 0.00 CL HETATM 37 C27 UNL 1 -3.775 -2.339 0.447 1.00 0.00 C HETATM 38 C28 UNL 1 -0.206 0.790 -0.182 1.00 0.00 C HETATM 39 C29 UNL 1 0.771 -0.158 -0.014 1.00 0.00 C HETATM 40 O4 UNL 1 4.411 -0.760 -0.208 1.00 0.00 O HETATM 41 H1 UNL 1 10.038 0.846 1.577 1.00 0.00 H HETATM 42 H2 UNL 1 8.485 1.211 2.402 1.00 0.00 H HETATM 43 H3 UNL 1 9.628 2.568 2.085 1.00 0.00 H HETATM 44 H4 UNL 1 8.415 0.985 -2.042 1.00 0.00 H HETATM 45 H5 UNL 1 10.037 0.829 -1.301 1.00 0.00 H HETATM 46 H6 UNL 1 8.870 -1.356 -1.416 1.00 0.00 H HETATM 47 H7 UNL 1 9.047 -0.905 0.288 1.00 0.00 H HETATM 48 H8 UNL 1 6.683 -0.259 -1.378 1.00 0.00 H HETATM 49 H9 UNL 1 6.900 -2.713 -0.798 1.00 0.00 H HETATM 50 H10 UNL 1 6.969 -2.108 0.931 1.00 0.00 H HETATM 51 H11 UNL 1 4.502 -3.828 0.639 1.00 0.00 H HETATM 52 H12 UNL 1 2.033 -2.711 0.574 1.00 0.00 H HETATM 53 H13 UNL 1 3.549 1.555 -0.765 1.00 0.00 H HETATM 54 H14 UNL 1 1.833 3.324 -1.088 1.00 0.00 H HETATM 55 H15 UNL 1 -2.810 3.522 -0.682 1.00 0.00 H HETATM 56 H16 UNL 1 -1.279 -1.520 0.479 1.00 0.00 H HETATM 57 H17 UNL 1 -4.022 0.953 1.206 1.00 0.00 H HETATM 58 H18 UNL 1 -6.327 0.285 1.520 1.00 0.00 H HETATM 59 H19 UNL 1 -8.104 -0.778 2.558 1.00 0.00 H HETATM 60 H20 UNL 1 -9.318 -1.793 1.760 1.00 0.00 H HETATM 61 H21 UNL 1 -7.493 -1.304 -0.952 1.00 0.00 H HETATM 62 H22 UNL 1 -7.775 0.459 -2.637 1.00 0.00 H HETATM 63 H23 UNL 1 -8.949 2.545 -2.076 1.00 0.00 H HETATM 64 H24 UNL 1 -9.595 1.151 1.895 1.00 0.00 H HETATM 65 H25 UNL 1 -3.036 -3.083 0.142 1.00 0.00 H HETATM 66 H26 UNL 1 0.506 -1.147 0.290 1.00 0.00 H CONECT 1 2 41 42 43 CONECT 2 3 3 4 4 CONECT 2 5 CONECT 5 6 44 45 CONECT 6 7 46 47 CONECT 7 8 48 CONECT 8 9 49 50 CONECT 9 10 10 40 CONECT 10 11 51 CONECT 11 12 12 52 CONECT 12 13 40 CONECT 13 14 14 39 CONECT 14 15 53 CONECT 15 16 16 54 CONECT 16 17 38 CONECT 17 18 18 CONECT 18 19 55 CONECT 19 20 20 CONECT 20 21 38 CONECT 21 22 56 CONECT 22 23 23 37 CONECT 23 24 57 CONECT 24 25 25 58 CONECT 25 26 35 CONECT 26 27 CONECT 27 28 59 60 CONECT 28 29 29 34 CONECT 29 30 61 CONECT 30 31 31 62 CONECT 31 32 63 CONECT 32 33 34 34 CONECT 34 64 CONECT 35 36 37 37 CONECT 37 65 CONECT 38 39 39 CONECT 39 66 END