NAME TGT IO_STRING TGT Z TYPE LIGAND AA UNK ATOM C10 CH1 X -0.03 ATOM N1 Ntrp X -0.55 ATOM C19 CH1 X -0.03 ATOM C8 CH2 X -0.12 ATOM C9 CH3 X -0.21 ATOM H91 Hapo X 0.16 ATOM H92 Hapo X 0.16 ATOM H93 Hapo X 0.16 ATOM H81 Hapo X 0.16 ATOM H82 Hapo X 0.16 ATOM C16 CH1 X -0.03 ATOM N3 Nhis X -0.47 ATOM N2 Nhis X -0.47 ATOM C12 CH1 X -0.03 ATOM C1 CH3 X -0.21 ATOM H11 Hapo X 0.16 ATOM H12 Hapo X 0.16 ATOM H13 Hapo X 0.16 ATOM N4 Nhis X -0.47 ATOM C18 CH1 X -0.03 ATOM S1 S X -0.10 ATOM C13 CH1 X -0.03 ATOM C2 CH3 X -0.21 ATOM H21 Hapo X 0.16 ATOM H22 Hapo X 0.16 ATOM H23 Hapo X 0.16 ATOM C14 CH1 X -0.03 ATOM C3 CH3 X -0.21 ATOM H31 Hapo X 0.16 ATOM H32 Hapo X 0.16 ATOM H33 Hapo X 0.16 ATOM C17 CH1 X -0.03 ATOM H19 Hapo X 0.16 ATOM HN1 Hpol X 0.49 ATOM C15 CH1 X -0.03 ATOM C6 CH1 X -0.03 ATOM C4 CH1 X -0.03 ATOM C11 CH1 X -0.03 ATOM CL1 CH1 X -0.03 ATOM C5 CH1 X -0.03 ATOM C7 CH1 X -0.03 ATOM H7 Hapo X 0.16 ATOM H5 Hapo X 0.16 ATOM H4 Hapo X 0.16 ATOM H6 Hapo X 0.16 BOND_TYPE CL1 C11 1 BOND_TYPE C1 C12 1 BOND_TYPE C1 H11 1 BOND_TYPE C1 H12 1 BOND_TYPE C1 H13 1 BOND_TYPE N1 C10 1 BOND_TYPE N1 C19 1 BOND_TYPE N1 HN1 1 BOND_TYPE S1 C13 1 BOND_TYPE S1 C18 1 BOND_TYPE C2 C13 1 BOND_TYPE C2 H21 1 BOND_TYPE C2 H22 1 BOND_TYPE C2 H23 1 BOND_TYPE N2 N3 1 BOND_TYPE N2 C12 1 BOND_TYPE C3 C14 1 BOND_TYPE C3 H31 1 BOND_TYPE C3 H32 1 BOND_TYPE C3 H33 1 BOND_TYPE N3 C16 1 BOND_TYPE C4 C6 1 BOND_TYPE C4 C11 1 BOND_TYPE C4 H4 1 BOND_TYPE N4 C12 1 BOND_TYPE N4 C16 1 BOND_TYPE N4 C18 1 BOND_TYPE C5 C7 1 BOND_TYPE C5 C11 1 BOND_TYPE C5 H5 1 BOND_TYPE C6 C15 1 BOND_TYPE C6 H6 1 BOND_TYPE C7 C15 1 BOND_TYPE C7 H7 1 BOND_TYPE C8 C9 1 BOND_TYPE C8 C19 1 BOND_TYPE C8 H81 1 BOND_TYPE C8 H82 1 BOND_TYPE C9 H91 1 BOND_TYPE C9 H92 1 BOND_TYPE C9 H93 1 BOND_TYPE C10 C15 1 BOND_TYPE C10 C17 1 BOND_TYPE C13 C14 1 BOND_TYPE C14 C17 1 BOND_TYPE C16 C19 1 BOND_TYPE C17 C18 1 BOND_TYPE C19 H19 1 CHI 1 N1 C19 C8 C9 CHI 2 N1 C10 C15 C6 NBR_ATOM C10 NBR_RADIUS 6.260093 ICOOR_INTERNAL C10 0.000000 0.000000 0.000000 C10 N1 C19 ICOOR_INTERNAL N1 0.000000 179.999999 1.393257 C10 N1 C19 ICOOR_INTERNAL C19 0.000000 57.586204 1.469949 N1 C10 C19 ICOOR_INTERNAL C8 169.610757 68.850486 1.549463 C19 N1 C10 ICOOR_INTERNAL C9 -56.493645 66.909498 1.545387 C8 C19 N1 ICOOR_INTERNAL H91 -174.861365 69.930945 1.097802 C9 C8 C19 ICOOR_INTERNAL H92 -119.580086 68.293661 1.096823 C9 C8 H91 ICOOR_INTERNAL H93 -121.073516 68.928665 1.097541 C9 C8 H92 ICOOR_INTERNAL H81 123.014464 69.099665 1.093392 C8 C19 C9 ICOOR_INTERNAL H82 115.244105 71.262893 1.096072 C8 C19 H81 ICOOR_INTERNAL C16 125.895124 71.121201 1.509642 C19 N1 C8 ICOOR_INTERNAL N3 -132.716634 53.370944 1.322579 C16 C19 N1 ICOOR_INTERNAL N2 -179.293383 71.859863 1.377102 N3 C16 C19 ICOOR_INTERNAL C12 1.157338 71.584468 1.324366 N2 N3 C16 ICOOR_INTERNAL C1 -171.492989 55.768640 1.504289 C12 N2 N3 ICOOR_INTERNAL H11 -92.851520 68.059164 1.093832 C1 C12 N2 ICOOR_INTERNAL H12 -120.666375 68.992577 1.096508 C1 C12 H11 ICOOR_INTERNAL H13 -119.149754 69.133055 1.096395 C1 C12 H12 ICOOR_INTERNAL N4 166.481108 72.121405 1.378022 C12 N2 C1 ICOOR_INTERNAL C18 148.839885 57.281691 1.399054 N4 C12 N2 ICOOR_INTERNAL S1 -14.567232 56.237097 1.754609 C18 N4 C12 ICOOR_INTERNAL C13 179.514203 92.311754 1.759527 S1 C18 N4 ICOOR_INTERNAL C2 179.194193 57.215002 1.508219 C13 S1 C18 ICOOR_INTERNAL H21 -111.401951 68.766811 1.095541 C2 C13 S1 ICOOR_INTERNAL H22 -121.288389 68.421727 1.096031 C2 C13 H21 ICOOR_INTERNAL H23 -119.468441 69.272388 1.098280 C2 C13 H22 ICOOR_INTERNAL C14 179.653233 67.219660 1.381653 C13 S1 C2 ICOOR_INTERNAL C3 -179.402479 55.898677 1.513471 C14 C13 S1 ICOOR_INTERNAL H31 88.860715 68.752040 1.098997 C3 C14 C13 ICOOR_INTERNAL H32 120.446547 67.832727 1.097064 C3 C14 H31 ICOOR_INTERNAL H33 119.595472 68.636096 1.094697 C3 C14 H32 ICOOR_INTERNAL C17 -179.791713 65.252027 1.436652 C14 C13 C3 ICOOR_INTERNAL H19 116.506926 71.620221 1.098274 C19 N1 C16 ICOOR_INTERNAL HN1 -162.515922 62.441600 1.009939 N1 C10 C19 ICOOR_INTERNAL C15 166.865070 62.514742 1.490074 C10 N1 C19 ICOOR_INTERNAL C6 -144.221391 59.834576 1.408607 C15 C10 N1 ICOOR_INTERNAL C4 177.052081 58.539327 1.405553 C6 C15 C10 ICOOR_INTERNAL C11 -2.416388 60.680799 1.399166 C4 C6 C15 ICOOR_INTERNAL CL1 178.314477 59.054697 1.747028 C11 C4 C6 ICOOR_INTERNAL C5 -174.027691 60.201662 1.397766 C11 C4 CL1 ICOOR_INTERNAL C7 -1.965203 59.270697 1.405605 C5 C11 C4 ICOOR_INTERNAL H7 175.705727 60.701315 1.086987 C7 C5 C11 ICOOR_INTERNAL H5 175.511621 61.401137 1.080915 C5 C11 C7 ICOOR_INTERNAL H4 -179.286469 59.172874 1.086634 C4 C6 C11 ICOOR_INTERNAL H6 -178.416904 60.644626 1.080463 C6 C15 C4