NAME TGT IO_STRING TGT Z TYPE LIGAND AA UNK ATOM C11 CH1 X -0.03 ATOM N1 Ntrp X -0.55 ATOM C20 CH1 X -0.03 ATOM C9 CH2 X -0.12 ATOM C10 CH3 X -0.21 ATOM H18 Hapo X 0.16 ATOM H19 Hapo X 0.16 ATOM H20 Hapo X 0.16 ATOM H16 Hapo X 0.16 ATOM H17 Hapo X 0.16 ATOM C17 CH1 X -0.03 ATOM N3 Nhis X -0.47 ATOM N2 Nhis X -0.47 ATOM C13 CH1 X -0.03 ATOM C2 CH3 X -0.21 ATOM H6 Hapo X 0.16 ATOM H7 Hapo X 0.16 ATOM H8 Hapo X 0.16 ATOM N4 Nhis X -0.47 ATOM C19 CH1 X -0.03 ATOM S1 S X -0.10 ATOM C14 CH1 X -0.03 ATOM C3 CH3 X -0.21 ATOM H10 Hapo X 0.16 ATOM H11 Hapo X 0.16 ATOM H12 Hapo X 0.16 ATOM C15 CH1 X -0.03 ATOM C4 CH3 X -0.21 ATOM H13 Hapo X 0.16 ATOM H14 Hapo X 0.16 ATOM H15 Hapo X 0.16 ATOM C18 CH1 X -0.03 ATOM H9 Hapo X 0.16 ATOM H1 Hpol X 0.49 ATOM C16 CH1 X -0.03 ATOM C7 CH1 X -0.03 ATOM C5 CH1 X -0.03 ATOM C12 CH1 X -0.03 ATOM C1 CH1 X -0.03 ATOM C6 CH1 X -0.03 ATOM C8 CH1 X -0.03 ATOM H5 Hapo X 0.16 ATOM H3 Hapo X 0.16 ATOM H2 Hapo X 0.16 ATOM H4 Hapo X 0.16 BOND_TYPE C1 C12 1 BOND_TYPE C2 C13 1 BOND_TYPE C2 H6 1 BOND_TYPE C2 H7 1 BOND_TYPE C2 H8 1 BOND_TYPE N1 C11 1 BOND_TYPE N1 C20 1 BOND_TYPE N1 H1 1 BOND_TYPE S1 C14 1 BOND_TYPE S1 C19 1 BOND_TYPE C3 C14 1 BOND_TYPE C3 H10 1 BOND_TYPE C3 H11 1 BOND_TYPE C3 H12 1 BOND_TYPE N2 N3 1 BOND_TYPE N2 C13 1 BOND_TYPE C4 C15 1 BOND_TYPE C4 H13 1 BOND_TYPE C4 H14 1 BOND_TYPE C4 H15 1 BOND_TYPE N3 C17 1 BOND_TYPE C5 C7 1 BOND_TYPE C5 C12 1 BOND_TYPE C5 H2 1 BOND_TYPE N4 C13 1 BOND_TYPE N4 C17 1 BOND_TYPE N4 C19 1 BOND_TYPE C6 C8 1 BOND_TYPE C6 C12 1 BOND_TYPE C6 H3 1 BOND_TYPE C7 C16 1 BOND_TYPE C7 H4 1 BOND_TYPE C8 C16 1 BOND_TYPE C8 H5 1 BOND_TYPE C9 C10 1 BOND_TYPE C9 C20 1 BOND_TYPE C9 H16 1 BOND_TYPE C9 H17 1 BOND_TYPE C10 H18 1 BOND_TYPE C10 H19 1 BOND_TYPE C10 H20 1 BOND_TYPE C11 C16 1 BOND_TYPE C11 C18 1 BOND_TYPE C14 C15 1 BOND_TYPE C15 C18 1 BOND_TYPE C17 C20 1 BOND_TYPE C18 C19 1 BOND_TYPE C20 H9 1 CHI 1 N1 C20 C9 C10 CHI 2 N1 C11 C16 C7 NBR_ATOM C11 NBR_RADIUS 6.260093 ICOOR_INTERNAL C11 0.000000 0.000000 0.000000 C11 N1 C20 ICOOR_INTERNAL N1 0.000000 179.999999 1.393257 C11 N1 C20 ICOOR_INTERNAL C20 0.000000 57.586204 1.469949 N1 C11 C20 ICOOR_INTERNAL C9 169.610757 68.850486 1.549463 C20 N1 C11 ICOOR_INTERNAL C10 -56.493645 66.909498 1.545387 C9 C20 N1 ICOOR_INTERNAL H18 -174.861365 69.930945 1.097802 C10 C9 C20 ICOOR_INTERNAL H19 -119.580086 68.293661 1.096823 C10 C9 H18 ICOOR_INTERNAL H20 -121.073516 68.928665 1.097541 C10 C9 H19 ICOOR_INTERNAL H16 123.014464 69.099665 1.093392 C9 C20 C10 ICOOR_INTERNAL H17 115.244105 71.262893 1.096072 C9 C20 H16 ICOOR_INTERNAL C17 125.895124 71.121201 1.509642 C20 N1 C9 ICOOR_INTERNAL N3 -132.716634 53.370944 1.322579 C17 C20 N1 ICOOR_INTERNAL N2 -179.293383 71.859863 1.377102 N3 C17 C20 ICOOR_INTERNAL C13 1.157338 71.584468 1.324366 N2 N3 C17 ICOOR_INTERNAL C2 -171.492989 55.768640 1.504289 C13 N2 N3 ICOOR_INTERNAL H6 -92.851520 68.059164 1.093832 C2 C13 N2 ICOOR_INTERNAL H7 -120.666375 68.992577 1.096508 C2 C13 H6 ICOOR_INTERNAL H8 -119.149754 69.133055 1.096395 C2 C13 H7 ICOOR_INTERNAL N4 166.481108 72.121405 1.378022 C13 N2 C2 ICOOR_INTERNAL C19 148.839885 57.281691 1.399054 N4 C13 N2 ICOOR_INTERNAL S1 -14.567232 56.237097 1.754609 C19 N4 C13 ICOOR_INTERNAL C14 179.514203 92.311754 1.759527 S1 C19 N4 ICOOR_INTERNAL C3 179.194193 57.215002 1.508219 C14 S1 C19 ICOOR_INTERNAL H10 -111.401951 68.766811 1.095541 C3 C14 S1 ICOOR_INTERNAL H11 -121.288389 68.421727 1.096031 C3 C14 H10 ICOOR_INTERNAL H12 -119.468441 69.272388 1.098280 C3 C14 H11 ICOOR_INTERNAL C15 179.653233 67.219660 1.381653 C14 S1 C3 ICOOR_INTERNAL C4 -179.402479 55.898677 1.513471 C15 C14 S1 ICOOR_INTERNAL H13 88.860715 68.752040 1.098997 C4 C15 C14 ICOOR_INTERNAL H14 120.446547 67.832727 1.097064 C4 C15 H13 ICOOR_INTERNAL H15 119.595472 68.636096 1.094697 C4 C15 H14 ICOOR_INTERNAL C18 -179.791713 65.252027 1.436652 C15 C14 C4 ICOOR_INTERNAL H9 116.506926 71.620221 1.098274 C20 N1 C17 ICOOR_INTERNAL H1 -162.515922 62.441600 1.009939 N1 C11 C20 ICOOR_INTERNAL C16 166.865070 62.514742 1.490074 C11 N1 C20 ICOOR_INTERNAL C7 -144.221391 59.834576 1.408607 C16 C11 N1 ICOOR_INTERNAL C5 177.052081 58.539327 1.405553 C7 C16 C11 ICOOR_INTERNAL C12 -2.416388 60.680799 1.399166 C5 C7 C16 ICOOR_INTERNAL C1 178.314477 59.054697 1.747028 C12 C5 C7 ICOOR_INTERNAL C6 -174.027691 60.201662 1.397766 C12 C5 C1 ICOOR_INTERNAL C8 -1.965203 59.270697 1.405605 C6 C12 C5 ICOOR_INTERNAL H5 175.705727 60.701315 1.086987 C8 C6 C12 ICOOR_INTERNAL H3 175.511621 61.401137 1.080915 C6 C12 C8 ICOOR_INTERNAL H2 -179.286469 59.172874 1.086634 C5 C7 C12 ICOOR_INTERNAL H4 -178.416904 60.644626 1.080463 C7 C16 C5