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1iep_ligand.pdbqt
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REMARK Flexibility Score: inf
REMARK Active torsions [ 7 ] -> [ 7 ]
ROOT
ATOM 1 C1 LIG L 1 15.822 54.641 12.322 1.00 0.00 0.038 A
ATOM 2 C2 LIG L 1 16.950 54.502 11.393 1.00 0.00 -0.029 A
ATOM 3 C3 LIG L 1 17.915 53.471 11.648 1.00 0.00 0.007 A
ATOM 4 C4 LIG L 1 17.774 52.597 12.786 1.00 0.00 0.024 A
ATOM 5 C5 LIG L 1 16.678 52.727 13.688 1.00 0.00 0.035 A
ATOM 6 C6 LIG L 1 15.698 53.772 13.436 1.00 0.00 0.047 A
ATOM 7 C7 LIG L 1 17.148 55.406 10.154 1.00 0.00 0.045 C
ENDROOT
BRANCH 1 8
ATOM 8 N1 LIG L 1 14.852 55.627 12.128 1.00 0.00 -0.283 N
ATOM 9 H1 LIG L 1 14.006 55.396 11.680 1.00 0.00 0.155 HD
BRANCH 8 10
ATOM 10 C8 LIG L 1 15.067 56.927 12.559 1.00 0.00 0.220 A
ATOM 11 C9 LIG L 1 14.238 59.155 12.712 1.00 0.00 0.077 A
ATOM 12 C10 LIG L 1 15.433 59.579 13.383 1.00 0.00 0.048 A
ATOM 13 N2 LIG L 1 14.101 57.840 12.327 1.00 0.00 -0.214 NA
ATOM 14 C11 LIG L 1 16.428 58.603 13.615 1.00 0.00 0.116 A
ATOM 15 N3 LIG L 1 16.232 57.303 13.202 1.00 0.00 -0.223 NA
BRANCH 11 16
ATOM 16 C12 LIG L 1 13.097 60.070 12.392 1.00 0.00 0.019 A
ATOM 17 C13 LIG L 1 11.879 62.272 12.570 1.00 0.00 0.020 A
ATOM 18 C14 LIG L 1 13.002 61.429 12.910 1.00 0.00 0.013 A
ATOM 19 C15 LIG L 1 10.858 61.734 11.710 1.00 0.00 0.111 A
ATOM 20 N4 LIG L 1 10.961 60.425 11.216 1.00 0.00 -0.263 NA
ATOM 21 C16 LIG L 1 12.031 59.591 11.525 1.00 0.00 0.120 A
ENDBRANCH 11 16
ENDBRANCH 8 10
ENDBRANCH 1 8
BRANCH 5 22
ATOM 22 N5 LIG L 1 16.600 51.810 14.798 1.00 0.00 -0.281 N
ATOM 23 C17 LIG L 1 15.629 51.747 15.784 1.00 0.00 0.248 C
ATOM 24 H2 LIG L 1 17.326 51.148 14.863 1.00 0.00 0.155 HD
ATOM 25 O1 LIG L 1 14.789 52.612 15.983 1.00 0.00 -0.270 OA
BRANCH 23 26
ATOM 26 C18 LIG L 1 15.595 50.558 16.689 1.00 0.00 0.037 A
ATOM 27 C19 LIG L 1 14.423 50.268 17.519 1.00 0.00 0.013 A
ATOM 28 C20 LIG L 1 16.751 49.689 16.748 1.00 0.00 0.013 A
ATOM 29 C21 LIG L 1 14.423 49.124 18.396 1.00 0.00 0.002 A
ATOM 30 C22 LIG L 1 16.747 48.568 17.608 1.00 0.00 0.002 A
ATOM 31 C23 LIG L 1 15.600 48.260 18.446 1.00 0.00 -0.064 A
BRANCH 31 32
ATOM 32 C24 LIG L 1 15.696 47.030 19.368 1.00 0.00 -0.043 C
BRANCH 32 33
ATOM 33 N6 LIG L 1 16.917 46.907 20.219 1.00 0.00 0.380 N
ATOM 34 C25 LIG L 1 17.097 48.140 21.070 1.00 0.00 -0.097 C
ATOM 35 C26 LIG L 1 16.877 45.658 21.104 1.00 0.00 -0.097 C
ATOM 36 H3 LIG L 1 17.714 46.815 19.589 1.00 0.00 -0.082 HD
ATOM 37 C27 LIG L 1 18.375 48.041 21.949 1.00 0.00 -0.098 C
ATOM 38 C28 LIG L 1 18.172 45.533 21.971 1.00 0.00 -0.098 C
ATOM 39 N7 LIG L 1 18.337 46.794 22.821 1.00 0.00 0.375 N
ATOM 40 C29 LIG L 1 19.522 46.655 23.680 1.00 0.00 -0.096 C
ATOM 41 H4 LIG L 1 17.527 46.906 23.431 1.00 0.00 -0.082 HD
ENDBRANCH 32 33
ENDBRANCH 31 32
ENDBRANCH 23 26
ENDBRANCH 5 22
TORSDOF 7