NAME NYL IO_STRING NYL Z TYPE LIGAND AA UNK ATOM C9 CH2 X -0.19 ATOM C8 CH2 X -0.19 ATOM C7 COO X 0.61 ATOM N2 Ntrp X -0.62 ATOM C6 CH2 X -0.19 ATOM C5 CH2 X -0.19 ATOM C4 CH2 X -0.19 ATOM C3 CH2 X -0.19 ATOM C2 CH2 X -0.19 ATOM C1 COO X 0.61 ATOM O1 ONH2 X -0.56 ATOM N1 NH2O X -0.48 ATOM H1 Hpol X 0.42 ATOM H2 Hpol X 0.42 ATOM H3 Hapo X 0.09 ATOM H4 Hapo X 0.09 ATOM H5 Hapo X 0.09 ATOM H6 Hapo X 0.09 ATOM H7 Hapo X 0.09 ATOM H8 Hapo X 0.09 ATOM H9 Hapo X 0.09 ATOM H10 Hapo X 0.09 ATOM H11 Hapo X 0.09 ATOM H12 Hapo X 0.09 ATOM H13 Hpol X 0.42 ATOM O2 ONH2 X -0.56 ATOM H14 Hapo X 0.09 ATOM H15 Hapo X 0.09 ATOM C10 CH2 X -0.19 ATOM C11 CH2 X -0.19 ATOM C12 CH2 X -0.19 ATOM N3 Ntrp X -0.62 ATOM C13 COO X 0.61 ATOM O3 ONH2 X -0.56 ATOM C14 CH2 X -0.19 ATOM C15 CH2 X -0.19 ATOM C16 CH2 X -0.19 ATOM C17 CH2 X -0.19 ATOM C18 CH3 X -0.28 ATOM H33 Hapo X 0.09 ATOM H34 Hapo X 0.09 ATOM H35 Hapo X 0.09 ATOM H31 Hapo X 0.09 ATOM H32 Hapo X 0.09 ATOM H29 Hapo X 0.09 ATOM H30 Hapo X 0.09 ATOM H27 Hapo X 0.09 ATOM H28 Hapo X 0.09 ATOM H25 Hapo X 0.09 ATOM H26 Hapo X 0.09 ATOM H24 Hpol X 0.42 ATOM H22 Hapo X 0.09 ATOM H23 Hapo X 0.09 ATOM H20 Hapo X 0.09 ATOM H21 Hapo X 0.09 ATOM H18 Hapo X 0.09 ATOM H19 Hapo X 0.09 ATOM H16 Hapo X 0.09 ATOM H17 Hapo X 0.09 BOND_TYPE C1 O1 2 BOND_TYPE C1 C2 1 BOND_TYPE C1 N1 1 BOND_TYPE N1 H1 1 BOND_TYPE N1 H2 1 BOND_TYPE C2 C3 1 BOND_TYPE C2 H3 1 BOND_TYPE C2 H4 1 BOND_TYPE N2 C7 1 BOND_TYPE N2 H13 1 BOND_TYPE C3 C4 1 BOND_TYPE C3 H5 1 BOND_TYPE C3 H6 1 BOND_TYPE N3 C13 1 BOND_TYPE N3 H24 1 BOND_TYPE C4 C5 1 BOND_TYPE C4 H7 1 BOND_TYPE C4 H8 1 BOND_TYPE C5 C6 1 BOND_TYPE C5 H9 1 BOND_TYPE C5 H10 1 BOND_TYPE N2 C6 1 BOND_TYPE C6 H11 1 BOND_TYPE C6 H12 1 BOND_TYPE O2 C7 2 BOND_TYPE C7 C8 1 BOND_TYPE C8 C9 1 BOND_TYPE C8 H14 1 BOND_TYPE C8 H15 1 BOND_TYPE C9 C10 1 BOND_TYPE C9 H16 1 BOND_TYPE C9 H17 1 BOND_TYPE C10 C11 1 BOND_TYPE C10 H18 1 BOND_TYPE C10 H19 1 BOND_TYPE C11 C12 1 BOND_TYPE C11 H20 1 BOND_TYPE C11 H21 1 BOND_TYPE N3 C12 1 BOND_TYPE C12 H22 1 BOND_TYPE C12 H23 1 BOND_TYPE O3 C13 2 BOND_TYPE C13 C14 1 BOND_TYPE C14 C15 1 BOND_TYPE C14 H25 1 BOND_TYPE C14 H26 1 BOND_TYPE C15 C16 1 BOND_TYPE C15 H27 1 BOND_TYPE C15 H28 1 BOND_TYPE C16 C17 1 BOND_TYPE C16 H29 1 BOND_TYPE C16 H30 1 BOND_TYPE C17 C18 1 BOND_TYPE C17 H31 1 BOND_TYPE C17 H32 1 BOND_TYPE C18 H33 1 BOND_TYPE C18 H34 1 BOND_TYPE C18 H35 1 CHI 1 C3 C2 C1 O1 CHI 2 C4 C3 C2 C1 CHI 3 C8 C7 N2 C6 CHI 4 C5 C4 C3 C2 CHI 5 C12 N3 C13 O3 CHI 6 C6 C5 C4 C3 CHI 7 N2 C6 C5 C4 CHI 8 C7 N2 C6 C5 CHI 9 C9 C8 C7 N2 CHI 10 C10 C9 C8 C7 CHI 11 C8 C9 C10 C11 CHI 12 C9 C10 C11 C12 CHI 13 C10 C11 C12 N3 CHI 14 C11 C12 N3 C13 CHI 15 N3 C13 C14 C15 CHI 16 C13 C14 C15 C16 CHI 17 C14 C15 C16 C17 CHI 18 C15 C16 C17 C18 NBR_ATOM C9 NBR_RADIUS 15.687827 ICOOR_INTERNAL C9 0.000000 0.000000 0.000000 C9 C8 C7 ICOOR_INTERNAL C8 0.000000 179.999999 1.528837 C9 C8 C7 ICOOR_INTERNAL C7 0.000000 68.200377 1.518120 C8 C9 C7 ICOOR_INTERNAL N2 174.843658 66.667694 1.381036 C7 C8 C9 ICOOR_INTERNAL C6 -175.454901 60.111829 1.448054 N2 C7 C8 ICOOR_INTERNAL C5 -171.622639 67.714573 1.525527 C6 N2 C7 ICOOR_INTERNAL C4 177.408797 69.235532 1.530219 C5 C6 N2 ICOOR_INTERNAL C3 177.943562 68.047267 1.527776 C4 C5 C6 ICOOR_INTERNAL C2 178.238972 68.932026 1.528440 C3 C4 C5 ICOOR_INTERNAL C1 178.774486 67.662867 1.513774 C2 C3 C4 ICOOR_INTERNAL O1 -1.596374 55.039158 1.223556 C1 C2 C3 ICOOR_INTERNAL N1 -179.754714 65.972047 1.364240 C1 C2 O1 ICOOR_INTERNAL H1 -1.816193 56.713449 1.010198 N1 C1 C2 ICOOR_INTERNAL H2 -177.720339 62.252351 1.012064 N1 C1 H1 ICOOR_INTERNAL H3 -120.382250 70.053687 1.096234 C2 C3 C1 ICOOR_INTERNAL H4 -119.028037 70.101472 1.095919 C2 C3 H3 ICOOR_INTERNAL H5 121.539965 70.300289 1.096973 C3 C4 C2 ICOOR_INTERNAL H6 117.030482 70.106234 1.097512 C3 C4 H5 ICOOR_INTERNAL H7 -121.495626 70.512208 1.097073 C4 C5 C3 ICOOR_INTERNAL H8 -116.943920 70.712079 1.096640 C4 C5 H7 ICOOR_INTERNAL H9 121.585212 70.368523 1.097151 C5 C6 C4 ICOOR_INTERNAL H10 116.984897 70.190862 1.096825 C5 C6 H9 ICOOR_INTERNAL H11 122.315166 71.714205 1.096089 C6 N2 C5 ICOOR_INTERNAL H12 115.962955 72.520347 1.096615 C6 N2 H11 ICOOR_INTERNAL H13 159.659377 61.777754 1.011886 N2 C7 C6 ICOOR_INTERNAL O2 179.029730 56.488757 1.226624 C7 C8 N2 ICOOR_INTERNAL H14 -120.056924 69.918966 1.096541 C8 C9 C7 ICOOR_INTERNAL H15 -119.164721 70.127329 1.096323 C8 C9 H14 ICOOR_INTERNAL C10 177.733738 68.066010 1.528980 C9 C8 C7 ICOOR_INTERNAL C11 178.236435 68.778655 1.531138 C10 C9 C8 ICOOR_INTERNAL C12 177.490782 68.509434 1.524758 C11 C10 C9 ICOOR_INTERNAL N3 178.994218 68.275705 1.448760 C12 C11 C10 ICOOR_INTERNAL C13 -170.191647 59.683116 1.381098 N3 C12 C11 ICOOR_INTERNAL O3 5.811605 56.747518 1.225942 C13 N3 C12 ICOOR_INTERNAL C14 179.315742 66.989687 1.519082 C13 N3 O3 ICOOR_INTERNAL C15 175.501094 67.978260 1.527299 C14 C13 N3 ICOOR_INTERNAL C16 -179.970588 68.240693 1.529652 C15 C14 C13 ICOOR_INTERNAL C17 178.901268 68.808983 1.528336 C16 C15 C14 ICOOR_INTERNAL C18 179.760524 68.313302 1.520502 C17 C16 C15 ICOOR_INTERNAL H33 -60.494794 68.986175 1.094462 C18 C17 C16 ICOOR_INTERNAL H34 -119.701939 69.758301 1.094431 C18 C17 H33 ICOOR_INTERNAL H35 -119.775335 68.984331 1.094462 C18 C17 H34 ICOOR_INTERNAL H31 -121.229651 70.121648 1.096366 C17 C16 C18 ICOOR_INTERNAL H32 -117.605898 70.124792 1.096681 C17 C16 H31 ICOOR_INTERNAL H29 121.416482 70.464340 1.096469 C16 C15 C17 ICOOR_INTERNAL H30 117.311010 70.409849 1.097026 C16 C15 H29 ICOOR_INTERNAL H27 -121.723233 70.248801 1.096799 C15 C14 C16 ICOOR_INTERNAL H28 -116.693359 70.531417 1.098570 C15 C14 H27 ICOOR_INTERNAL H25 121.378686 71.915369 1.096212 C14 C13 C15 ICOOR_INTERNAL H26 117.202916 71.529665 1.096656 C14 C13 H25 ICOOR_INTERNAL H24 -159.362791 61.456642 1.012359 N3 C12 C13 ICOOR_INTERNAL H22 -121.096159 69.311388 1.095347 C12 C11 N3 ICOOR_INTERNAL H23 -119.274557 69.378935 1.096250 C12 C11 H22 ICOOR_INTERNAL H20 -121.469025 70.224197 1.097919 C11 C10 C12 ICOOR_INTERNAL H21 -116.849686 70.246495 1.097411 C11 C10 H20 ICOOR_INTERNAL H18 121.361259 70.524913 1.096316 C10 C9 C11 ICOOR_INTERNAL H19 117.378526 70.258563 1.097262 C10 C9 H18 ICOOR_INTERNAL H16 -121.594571 70.279462 1.097256 C9 C8 C10 ICOOR_INTERNAL H17 -116.633853 70.638607 1.097172 C9 C8 H16 PDB_ROTAMERS NYL_conformer3.pdb