COMPND HMDB0247461 HETATM 1 C1 UNL 1 -1.351 -1.276 2.151 1.00 0.00 C HETATM 2 O1 UNL 1 -1.169 -1.879 0.926 1.00 0.00 O HETATM 3 C2 UNL 1 -1.820 -1.150 -0.037 1.00 0.00 C HETATM 4 C3 UNL 1 -2.690 -2.009 -0.940 1.00 0.00 C HETATM 5 O2 UNL 1 -3.823 -2.462 -0.374 1.00 0.00 O HETATM 6 P1 UNL 1 -4.995 -1.312 -0.081 1.00 0.00 P HETATM 7 O3 UNL 1 -6.269 -1.762 -0.790 1.00 0.00 O HETATM 8 O4 UNL 1 -5.216 -1.158 1.570 1.00 0.00 O HETATM 9 O5 UNL 1 -4.477 0.122 -0.810 1.00 0.00 O HETATM 10 C4 UNL 1 -4.017 -0.194 -2.063 1.00 0.00 C HETATM 11 C5 UNL 1 -2.833 -1.089 -2.099 1.00 0.00 C HETATM 12 O6 UNL 1 -1.685 -0.293 -2.158 1.00 0.00 O HETATM 13 C6 UNL 1 -0.865 -0.654 -1.127 1.00 0.00 C HETATM 14 N1 UNL 1 0.008 0.373 -0.660 1.00 0.00 N HETATM 15 C7 UNL 1 1.300 0.198 -0.334 1.00 0.00 C HETATM 16 S1 UNL 1 2.207 -1.339 -0.411 1.00 0.00 S HETATM 17 C8 UNL 1 3.888 -1.104 0.113 1.00 0.00 C HETATM 18 C9 UNL 1 4.919 -0.769 -0.736 1.00 0.00 C HETATM 19 C10 UNL 1 6.218 -0.595 -0.285 1.00 0.00 C HETATM 20 C11 UNL 1 6.492 -0.760 1.055 1.00 0.00 C HETATM 21 CL1 UNL 1 8.136 -0.544 1.657 1.00 0.00 CL HETATM 22 C12 UNL 1 5.482 -1.095 1.934 1.00 0.00 C HETATM 23 C13 UNL 1 4.184 -1.264 1.447 1.00 0.00 C HETATM 24 N2 UNL 1 1.738 1.409 0.051 1.00 0.00 N HETATM 25 C14 UNL 1 0.756 2.315 -0.029 1.00 0.00 C HETATM 26 C15 UNL 1 0.643 3.672 0.232 1.00 0.00 C HETATM 27 N3 UNL 1 1.782 4.350 0.700 1.00 0.00 N HETATM 28 N4 UNL 1 -0.531 4.310 0.040 1.00 0.00 N HETATM 29 C16 UNL 1 -1.619 3.658 -0.408 1.00 0.00 C HETATM 30 N5 UNL 1 -1.496 2.343 -0.657 1.00 0.00 N HETATM 31 C17 UNL 1 -0.353 1.655 -0.484 1.00 0.00 C HETATM 32 H1 UNL 1 -0.941 -0.224 2.153 1.00 0.00 H HETATM 33 H2 UNL 1 -0.845 -1.787 2.983 1.00 0.00 H HETATM 34 H3 UNL 1 -2.413 -1.170 2.435 1.00 0.00 H HETATM 35 H4 UNL 1 -2.332 -0.271 0.350 1.00 0.00 H HETATM 36 H5 UNL 1 -2.060 -2.865 -1.251 1.00 0.00 H HETATM 37 H6 UNL 1 -4.901 -1.958 2.078 1.00 0.00 H HETATM 38 H7 UNL 1 -3.780 0.779 -2.582 1.00 0.00 H HETATM 39 H8 UNL 1 -4.834 -0.647 -2.674 1.00 0.00 H HETATM 40 H9 UNL 1 -2.851 -1.654 -3.071 1.00 0.00 H HETATM 41 H10 UNL 1 -0.286 -1.558 -1.440 1.00 0.00 H HETATM 42 H11 UNL 1 4.697 -0.640 -1.788 1.00 0.00 H HETATM 43 H12 UNL 1 7.038 -0.333 -0.932 1.00 0.00 H HETATM 44 H13 UNL 1 5.722 -1.221 2.985 1.00 0.00 H HETATM 45 H14 UNL 1 3.396 -1.528 2.149 1.00 0.00 H HETATM 46 H15 UNL 1 2.177 4.104 1.648 1.00 0.00 H HETATM 47 H16 UNL 1 2.236 5.087 0.123 1.00 0.00 H HETATM 48 H17 UNL 1 -2.566 4.188 -0.560 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 CONECT 3 4 13 35 CONECT 4 5 11 36 CONECT 5 6 CONECT 6 7 7 8 9 CONECT 8 37 CONECT 9 10 CONECT 10 11 38 39 CONECT 11 12 40 CONECT 12 13 CONECT 13 14 41 CONECT 14 15 31 CONECT 15 16 24 24 CONECT 16 17 CONECT 17 18 18 23 CONECT 18 19 42 CONECT 19 20 20 43 CONECT 20 21 22 CONECT 22 23 23 44 CONECT 23 45 CONECT 24 25 CONECT 25 26 26 31 CONECT 26 27 28 CONECT 27 46 47 CONECT 28 29 29 CONECT 29 30 48 CONECT 30 31 31 END