COMPND HMDB0251742 HETATM 1 O1 UNL 1 -1.208 1.313 0.350 1.00 0.00 O HETATM 2 C1 UNL 1 -1.488 0.172 0.831 1.00 0.00 C HETATM 3 C2 UNL 1 -0.484 -0.856 0.579 1.00 0.00 C HETATM 4 C3 UNL 1 0.749 -0.341 0.212 1.00 0.00 C HETATM 5 C4 UNL 1 1.817 -1.165 -0.063 1.00 0.00 C HETATM 6 C5 UNL 1 3.130 -0.657 -0.453 1.00 0.00 C HETATM 7 C6 UNL 1 3.253 0.506 -1.173 1.00 0.00 C HETATM 8 C7 UNL 1 4.494 0.969 -1.529 1.00 0.00 C HETATM 9 C8 UNL 1 5.663 0.301 -1.187 1.00 0.00 C HETATM 10 O2 UNL 1 6.892 0.818 -1.576 1.00 0.00 O HETATM 11 C9 UNL 1 7.497 1.724 -0.642 1.00 0.00 C HETATM 12 F1 UNL 1 8.701 2.194 -1.086 1.00 0.00 F HETATM 13 F2 UNL 1 6.637 2.824 -0.525 1.00 0.00 F HETATM 14 F3 UNL 1 7.562 1.144 0.597 1.00 0.00 F HETATM 15 C10 UNL 1 5.519 -0.865 -0.464 1.00 0.00 C HETATM 16 C11 UNL 1 4.282 -1.351 -0.094 1.00 0.00 C HETATM 17 C12 UNL 1 1.611 -2.523 0.041 1.00 0.00 C HETATM 18 C13 UNL 1 0.366 -3.041 0.412 1.00 0.00 C HETATM 19 C14 UNL 1 -0.688 -2.219 0.683 1.00 0.00 C HETATM 20 O3 UNL 1 -1.871 -2.885 1.042 1.00 0.00 O HETATM 21 C15 UNL 1 -3.168 -2.269 1.044 1.00 0.00 C HETATM 22 C16 UNL 1 -3.257 -1.172 2.084 1.00 0.00 C HETATM 23 N1 UNL 1 -2.716 0.050 1.536 1.00 0.00 N HETATM 24 C17 UNL 1 -3.430 1.284 1.682 1.00 0.00 C HETATM 25 C18 UNL 1 -4.366 1.565 0.588 1.00 0.00 C HETATM 26 N2 UNL 1 -3.971 2.259 -0.492 1.00 0.00 N HETATM 27 C19 UNL 1 -4.811 2.534 -1.518 1.00 0.00 C HETATM 28 C20 UNL 1 -6.123 2.100 -1.483 1.00 0.00 C HETATM 29 C21 UNL 1 -6.517 1.388 -0.368 1.00 0.00 C HETATM 30 N3 UNL 1 -5.647 1.136 0.631 1.00 0.00 N HETATM 31 H1 UNL 1 0.866 0.720 0.142 1.00 0.00 H HETATM 32 H2 UNL 1 2.384 1.064 -1.465 1.00 0.00 H HETATM 33 H3 UNL 1 4.589 1.898 -2.105 1.00 0.00 H HETATM 34 H4 UNL 1 6.449 -1.379 -0.203 1.00 0.00 H HETATM 35 H5 UNL 1 4.216 -2.271 0.474 1.00 0.00 H HETATM 36 H6 UNL 1 2.452 -3.161 -0.177 1.00 0.00 H HETATM 37 H7 UNL 1 0.247 -4.114 0.482 1.00 0.00 H HETATM 38 H8 UNL 1 -3.905 -3.051 1.353 1.00 0.00 H HETATM 39 H9 UNL 1 -3.445 -1.934 0.042 1.00 0.00 H HETATM 40 H10 UNL 1 -2.561 -1.486 2.914 1.00 0.00 H HETATM 41 H11 UNL 1 -4.265 -1.049 2.490 1.00 0.00 H HETATM 42 H12 UNL 1 -3.927 1.278 2.686 1.00 0.00 H HETATM 43 H13 UNL 1 -2.659 2.106 1.759 1.00 0.00 H HETATM 44 H14 UNL 1 -4.507 3.093 -2.395 1.00 0.00 H HETATM 45 H15 UNL 1 -6.816 2.306 -2.289 1.00 0.00 H HETATM 46 H16 UNL 1 -7.549 1.044 -0.334 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 23 CONECT 3 4 4 19 CONECT 4 5 31 CONECT 5 6 17 17 CONECT 6 7 7 16 CONECT 7 8 32 CONECT 8 9 9 33 CONECT 9 10 15 CONECT 10 11 CONECT 11 12 13 14 CONECT 15 16 16 34 CONECT 16 35 CONECT 17 18 36 CONECT 18 19 19 37 CONECT 19 20 CONECT 20 21 CONECT 21 22 38 39 CONECT 22 23 40 41 CONECT 23 24 CONECT 24 25 42 43 CONECT 25 26 26 30 CONECT 26 27 CONECT 27 28 28 44 CONECT 28 29 45 CONECT 29 30 30 46 END