COMPND HMDB0248139 HETATM 1 C1 UNL 1 7.957 1.624 -0.912 1.00 0.00 C HETATM 2 O1 UNL 1 7.778 0.265 -1.167 1.00 0.00 O HETATM 3 C2 UNL 1 6.586 -0.427 -1.032 1.00 0.00 C HETATM 4 C3 UNL 1 5.433 0.200 -0.616 1.00 0.00 C HETATM 5 C4 UNL 1 4.215 -0.479 -0.471 1.00 0.00 C HETATM 6 N1 UNL 1 3.059 0.222 -0.040 1.00 0.00 N HETATM 7 C5 UNL 1 1.777 -0.298 0.171 1.00 0.00 C HETATM 8 N2 UNL 1 1.395 -1.565 0.006 1.00 0.00 N HETATM 9 C6 UNL 1 0.121 -2.005 0.231 1.00 0.00 C HETATM 10 C7 UNL 1 -0.832 -1.131 0.647 1.00 0.00 C HETATM 11 C8 UNL 1 -0.424 0.200 0.818 1.00 0.00 C HETATM 12 N3 UNL 1 0.816 0.589 0.591 1.00 0.00 N HETATM 13 C9 UNL 1 -1.302 1.275 1.297 1.00 0.00 C HETATM 14 C10 UNL 1 -0.634 2.235 2.008 1.00 0.00 C HETATM 15 C11 UNL 1 -1.310 3.237 2.666 1.00 0.00 C HETATM 16 C12 UNL 1 -2.708 3.217 2.572 1.00 0.00 C HETATM 17 CL1 UNL 1 -3.633 4.452 3.375 1.00 0.00 CL HETATM 18 C13 UNL 1 -3.390 2.259 1.861 1.00 0.00 C HETATM 19 C14 UNL 1 -2.678 1.269 1.203 1.00 0.00 C HETATM 20 C15 UNL 1 -3.491 0.340 0.435 1.00 0.00 C HETATM 21 C16 UNL 1 -4.664 0.864 -0.201 1.00 0.00 C HETATM 22 C17 UNL 1 -5.055 2.131 -0.420 1.00 0.00 C HETATM 23 F1 UNL 1 -4.140 3.153 -0.309 1.00 0.00 F HETATM 24 C18 UNL 1 -6.297 2.461 -0.899 1.00 0.00 C HETATM 25 C19 UNL 1 -7.226 1.487 -1.192 1.00 0.00 C HETATM 26 C20 UNL 1 -6.870 0.181 -0.990 1.00 0.00 C HETATM 27 C21 UNL 1 -5.630 -0.144 -0.509 1.00 0.00 C HETATM 28 O2 UNL 1 -5.334 -1.487 -0.327 1.00 0.00 O HETATM 29 C22 UNL 1 -6.233 -2.518 -0.609 1.00 0.00 C HETATM 30 N4 UNL 1 -3.234 -0.929 0.326 1.00 0.00 N HETATM 31 C23 UNL 1 -2.155 -1.727 0.877 1.00 0.00 C HETATM 32 C24 UNL 1 4.242 -1.815 -0.771 1.00 0.00 C HETATM 33 C25 UNL 1 5.421 -2.456 -1.197 1.00 0.00 C HETATM 34 C26 UNL 1 6.600 -1.764 -1.329 1.00 0.00 C HETATM 35 C27 UNL 1 7.817 -2.443 -1.772 1.00 0.00 C HETATM 36 O3 UNL 1 8.910 -1.840 -1.903 1.00 0.00 O HETATM 37 O4 UNL 1 7.792 -3.797 -2.063 1.00 0.00 O HETATM 38 H1 UNL 1 8.797 2.065 -1.491 1.00 0.00 H HETATM 39 H2 UNL 1 8.085 1.861 0.168 1.00 0.00 H HETATM 40 H3 UNL 1 7.049 2.175 -1.244 1.00 0.00 H HETATM 41 H4 UNL 1 5.442 1.269 -0.383 1.00 0.00 H HETATM 42 H5 UNL 1 3.195 1.256 0.139 1.00 0.00 H HETATM 43 H6 UNL 1 -0.088 -3.057 0.068 1.00 0.00 H HETATM 44 H7 UNL 1 0.437 2.166 2.021 1.00 0.00 H HETATM 45 H8 UNL 1 -0.827 4.010 3.232 1.00 0.00 H HETATM 46 H9 UNL 1 -4.463 2.167 1.818 1.00 0.00 H HETATM 47 H10 UNL 1 -6.583 3.488 -1.061 1.00 0.00 H HETATM 48 H11 UNL 1 -8.202 1.761 -1.569 1.00 0.00 H HETATM 49 H12 UNL 1 -7.623 -0.576 -1.231 1.00 0.00 H HETATM 50 H13 UNL 1 -6.752 -2.384 -1.590 1.00 0.00 H HETATM 51 H14 UNL 1 -5.754 -3.498 -0.603 1.00 0.00 H HETATM 52 H15 UNL 1 -7.025 -2.534 0.177 1.00 0.00 H HETATM 53 H16 UNL 1 -2.179 -2.730 0.368 1.00 0.00 H HETATM 54 H17 UNL 1 -2.367 -1.902 1.936 1.00 0.00 H HETATM 55 H18 UNL 1 3.350 -2.402 -0.686 1.00 0.00 H HETATM 56 H19 UNL 1 5.417 -3.524 -1.430 1.00 0.00 H HETATM 57 H20 UNL 1 7.409 -4.447 -1.414 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 CONECT 3 4 4 34 CONECT 4 5 41 CONECT 5 6 32 32 CONECT 6 7 42 CONECT 7 8 8 12 CONECT 8 9 CONECT 9 10 10 43 CONECT 10 11 31 CONECT 11 12 12 13 CONECT 13 14 14 19 CONECT 14 15 44 CONECT 15 16 16 45 CONECT 16 17 18 CONECT 18 19 19 46 CONECT 19 20 CONECT 20 21 30 30 CONECT 21 22 22 27 CONECT 22 23 24 CONECT 24 25 25 47 CONECT 25 26 48 CONECT 26 27 27 49 CONECT 27 28 CONECT 28 29 CONECT 29 50 51 52 CONECT 30 31 CONECT 31 53 54 CONECT 32 33 55 CONECT 33 34 34 56 CONECT 34 35 CONECT 35 36 36 37 CONECT 37 57 END