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NAG.fa.params
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NAG.fa.params
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NAME NAG
IO_STRING NAG Z
TYPE LIGAND
AA UNK
ATOM O7 OH X 1.00
ATOM C12 CH1 X 1.00
ATOM C11 CH1 X 1.00
ATOM C10 CH1 X 1.00
ATOM C9 CH1 X 1.00
ATOM O2 OH X 1.00
ATOM C4 CH1 X 1.00
ATOM C3 CH1 X 1.00
ATOM C2 CH1 X 1.00
ATOM C1 CH2 X 1.00
ATOM O3 OH X 1.00
ATOM C5 CH1 X 1.00
ATOM C6 CH2 X 1.00
ATOM O4 OH X 1.00
ATOM H10 Hpol X 1.00
ATOM H9 Hapo X 1.00
ATOM H13 Hapo X 1.00
ATOM H8 Hapo X 1.00
ATOM H2 Hapo X 1.00
ATOM H12 Hapo X 1.00
ATOM N1 Ntrp X 1.00
ATOM C7 COO X 1.00
ATOM O5 ONH2 X 1.00
ATOM C8 CH3 X 1.00
ATOM H1 Hapo X 1.00
ATOM H11 Hapo X 1.00
ATOM H14 Hapo X 1.00
ATOM H4 Hpol X 1.00
ATOM H3 Hapo X 1.00
ATOM O1 OH X 1.00
ATOM H6 Hpol X 1.00
ATOM H5 Hapo X 1.00
ATOM H7 Hapo X 1.00
ATOM O8 OH X 1.00
ATOM C13 CH1 X 1.00
ATOM C14 CH2 X 1.00
ATOM O9 OH X 1.00
ATOM H24 Hpol X 1.00
ATOM H23 Hapo X 1.00
ATOM H26 Hapo X 1.00
ATOM H22 Hapo X 1.00
ATOM H16 Hapo X 1.00
ATOM N2 Ntrp X 1.00
ATOM C15 COO X 1.00
ATOM O10 ONH2 X 1.00
ATOM C16 CH3 X 1.00
ATOM H15 Hapo X 1.00
ATOM H25 Hapo X 1.00
ATOM H27 Hapo X 1.00
ATOM H18 Hpol X 1.00
ATOM H17 Hapo X 1.00
ATOM O6 OH X 1.00
ATOM H20 Hpol X 1.00
ATOM H19 Hapo X 1.00
ATOM H21 Hapo X 1.00
ATOM C17 CH1 X 1.00
ATOM C18 CH1 X 1.00
ATOM O11 OH X 1.00
ATOM H31 Hpol X 1.00
ATOM C19 CH1 X 1.00
ATOM O12 OH X 1.00
ATOM C29 CH1 X 1.00
ATOM C30 CH1 X 1.00
ATOM O21 OH X 1.00
ATOM H51 Hpol X 1.00
ATOM C31 CH1 X 1.00
ATOM O22 OH X 1.00
ATOM H53 Hpol X 1.00
ATOM C32 CH1 X 1.00
ATOM O23 OH X 1.00
ATOM H55 Hpol X 1.00
ATOM C33 CH1 X 1.00
ATOM O24 OH X 1.00
ATOM C34 CH2 X 1.00
ATOM O25 OH X 1.00
ATOM H48 Hpol X 1.00
ATOM H57 Hapo X 1.00
ATOM H58 Hapo X 1.00
ATOM H56 Hapo X 1.00
ATOM H54 Hapo X 1.00
ATOM H52 Hapo X 1.00
ATOM H50 Hapo X 1.00
ATOM H49 Hapo X 1.00
ATOM C20 CH1 X 1.00
ATOM O13 OH X 1.00
ATOM H34 Hpol X 1.00
ATOM C21 CH1 X 1.00
ATOM O14 OH X 1.00
ATOM C22 CH2 X 1.00
ATOM O15 OH X 1.00
ATOM C23 CH1 X 1.00
ATOM C24 CH1 X 1.00
ATOM O16 OH X 1.00
ATOM H40 Hpol X 1.00
ATOM C25 CH1 X 1.00
ATOM O17 OH X 1.00
ATOM H42 Hpol X 1.00
ATOM C26 CH1 X 1.00
ATOM O18 OH X 1.00
ATOM H44 Hpol X 1.00
ATOM C27 CH1 X 1.00
ATOM O19 OH X 1.00
ATOM C28 CH2 X 1.00
ATOM O20 OH X 1.00
ATOM H37 Hpol X 1.00
ATOM H46 Hapo X 1.00
ATOM H47 Hapo X 1.00
ATOM H45 Hapo X 1.00
ATOM H43 Hapo X 1.00
ATOM H41 Hapo X 1.00
ATOM H39 Hapo X 1.00
ATOM H38 Hapo X 1.00
ATOM H28 Hapo X 1.00
ATOM H36 Hapo X 1.00
ATOM H35 Hapo X 1.00
ATOM H33 Hapo X 1.00
ATOM H32 Hapo X 1.00
ATOM H30 Hapo X 1.00
ATOM H29 Hapo X 1.00
BOND_TYPE C1 C2 1
BOND_TYPE C1 O3 1
BOND_TYPE C1 H2 1
BOND_TYPE C1 H12 1
BOND_TYPE C2 N1 1
BOND_TYPE C2 C3 1
BOND_TYPE C2 H3 1
BOND_TYPE N1 C7 1
BOND_TYPE N1 H4 1
BOND_TYPE C3 O1 1
BOND_TYPE C3 C4 1
BOND_TYPE C3 H5 1
BOND_TYPE O1 H6 1
BOND_TYPE C4 O2 1
BOND_TYPE C4 C5 1
BOND_TYPE C4 H7 1
BOND_TYPE O2 C9 1
BOND_TYPE C5 O3 1
BOND_TYPE C5 C6 1
BOND_TYPE C5 H8 1
BOND_TYPE C6 O4 1
BOND_TYPE C6 H9 1
BOND_TYPE C6 H13 1
BOND_TYPE O4 H10 1
BOND_TYPE C7 O5 2
BOND_TYPE C7 C8 1
BOND_TYPE C8 H1 1
BOND_TYPE C8 H11 1
BOND_TYPE C8 H14 1
BOND_TYPE C9 C10 1
BOND_TYPE C9 O8 1
BOND_TYPE C9 H16 1
BOND_TYPE C10 N2 1
BOND_TYPE C10 C11 1
BOND_TYPE C10 H17 1
BOND_TYPE N2 C15 1
BOND_TYPE N2 H18 1
BOND_TYPE C11 O6 1
BOND_TYPE C11 C12 1
BOND_TYPE C11 H19 1
BOND_TYPE O6 H20 1
BOND_TYPE C12 O7 1
BOND_TYPE C12 C13 1
BOND_TYPE C12 H21 1
BOND_TYPE O7 C17 1
BOND_TYPE C13 O8 1
BOND_TYPE C13 C14 1
BOND_TYPE C13 H22 1
BOND_TYPE C14 O9 1
BOND_TYPE C14 H23 1
BOND_TYPE C14 H26 1
BOND_TYPE O9 H24 1
BOND_TYPE C15 O10 2
BOND_TYPE C15 C16 1
BOND_TYPE C16 H15 1
BOND_TYPE C16 H25 1
BOND_TYPE C16 H27 1
BOND_TYPE C17 C18 1
BOND_TYPE C17 O14 1
BOND_TYPE C17 H29 1
BOND_TYPE C18 O11 1
BOND_TYPE C18 C19 1
BOND_TYPE C18 H30 1
BOND_TYPE O11 H31 1
BOND_TYPE C19 O12 1
BOND_TYPE C19 C20 1
BOND_TYPE C19 H32 1
BOND_TYPE O12 C29 1
BOND_TYPE C20 O13 1
BOND_TYPE C20 C21 1
BOND_TYPE C20 H33 1
BOND_TYPE O13 H34 1
BOND_TYPE C21 O14 1
BOND_TYPE C21 C22 1
BOND_TYPE C21 H35 1
BOND_TYPE C22 O15 1
BOND_TYPE C22 H28 1
BOND_TYPE C22 H36 1
BOND_TYPE O15 C23 1
BOND_TYPE C23 C24 1
BOND_TYPE C23 O19 1
BOND_TYPE C23 H38 1
BOND_TYPE C24 O16 1
BOND_TYPE C24 C25 1
BOND_TYPE C24 H39 1
BOND_TYPE O16 H40 1
BOND_TYPE C25 O17 1
BOND_TYPE C25 C26 1
BOND_TYPE C25 H41 1
BOND_TYPE O17 H42 1
BOND_TYPE C26 O18 1
BOND_TYPE C26 C27 1
BOND_TYPE C26 H43 1
BOND_TYPE O18 H44 1
BOND_TYPE C27 O19 1
BOND_TYPE C27 C28 1
BOND_TYPE C27 H45 1
BOND_TYPE C28 O20 1
BOND_TYPE C28 H46 1
BOND_TYPE C28 H47 1
BOND_TYPE O20 H37 1
BOND_TYPE C29 C30 1
BOND_TYPE C29 O24 1
BOND_TYPE C29 H49 1
BOND_TYPE C30 O21 1
BOND_TYPE C30 C31 1
BOND_TYPE C30 H50 1
BOND_TYPE O21 H51 1
BOND_TYPE C31 O22 1
BOND_TYPE C31 C32 1
BOND_TYPE C31 H52 1
BOND_TYPE O22 H53 1
BOND_TYPE C32 O23 1
BOND_TYPE C32 C33 1
BOND_TYPE C32 H54 1
BOND_TYPE O23 H55 1
BOND_TYPE C33 O24 1
BOND_TYPE C33 C34 1
BOND_TYPE C33 H56 1
BOND_TYPE C34 O25 1
BOND_TYPE C34 H57 1
BOND_TYPE C34 H58 1
BOND_TYPE O25 H48 1
NBR_ATOM O7
NBR_RADIUS 14.611625
ICOOR_INTERNAL O7 0.000000 0.000000 0.000000 O7 C12 C11
ICOOR_INTERNAL C12 0.000000 180.000000 1.440815 O7 C12 C11
ICOOR_INTERNAL C11 0.000000 75.254131 1.539803 C12 O7 C11
ICOOR_INTERNAL C10 147.315636 64.923820 1.495797 C11 C12 O7
ICOOR_INTERNAL C9 -40.701037 68.865316 1.530951 C10 C11 C12
ICOOR_INTERNAL O2 171.622121 72.679348 1.410346 C9 C10 C11
ICOOR_INTERNAL C4 135.565746 65.317026 1.444049 O2 C9 C10
ICOOR_INTERNAL C3 103.634118 70.577370 1.546809 C4 O2 C9
ICOOR_INTERNAL C2 157.555398 69.773068 1.526810 C3 C4 O2
ICOOR_INTERNAL C1 -54.459446 77.571053 1.516204 C2 C3 C4
ICOOR_INTERNAL O3 79.281852 75.769426 1.471344 C1 C2 C3
ICOOR_INTERNAL C5 -83.926502 77.512450 1.432237 O3 C1 C2
ICOOR_INTERNAL C6 -175.356795 72.876424 1.510930 C5 O3 C1
ICOOR_INTERNAL O4 106.598260 66.604233 1.385414 C6 C5 O3
ICOOR_INTERNAL H10 -147.641085 70.483989 0.959634 O4 C6 C5
ICOOR_INTERNAL H9 -120.673073 71.475488 1.090026 C6 C5 O4
ICOOR_INTERNAL H13 -121.304234 72.812069 1.090078 C6 C5 H9
ICOOR_INTERNAL H8 119.928646 69.020749 1.090287 C5 O3 C6
ICOOR_INTERNAL H2 -119.245956 69.215291 1.090125 C1 C2 O3
ICOOR_INTERNAL H12 -118.586017 67.479485 1.089931 C1 C2 H2
ICOOR_INTERNAL N1 -122.122424 70.462853 1.454778 C2 C3 C1
ICOOR_INTERNAL C7 -132.472654 54.392388 1.353086 N1 C2 C3
ICOOR_INTERNAL O5 -9.728061 58.738538 1.143134 C7 N1 C2
ICOOR_INTERNAL C8 -179.476124 65.094525 1.483462 C7 N1 O5
ICOOR_INTERNAL H1 142.585002 70.521836 1.090364 C8 C7 N1
ICOOR_INTERNAL H11 -120.063010 70.502707 1.089790 C8 C7 H1
ICOOR_INTERNAL H14 -119.988348 70.563342 1.089823 C8 C7 H11
ICOOR_INTERNAL H4 179.974680 62.797593 1.009757 N1 C2 C7
ICOOR_INTERNAL H3 -117.098216 64.139229 1.090067 C2 C3 N1
ICOOR_INTERNAL O1 119.097803 70.001883 1.416823 C3 C4 C2
ICOOR_INTERNAL H6 -178.742448 70.489447 0.960022 O1 C3 C4
ICOOR_INTERNAL H5 120.541655 71.854006 1.090078 C3 C4 O1
ICOOR_INTERNAL H7 -116.728951 65.944469 1.089592 C4 O2 C3
ICOOR_INTERNAL O8 -112.126121 73.849361 1.457586 C9 C10 O2
ICOOR_INTERNAL C13 -72.048422 67.123565 1.405254 O8 C9 C10
ICOOR_INTERNAL C14 179.854366 73.073451 1.526368 C13 O8 C9
ICOOR_INTERNAL O9 68.682012 66.595134 1.380187 C14 C13 O8
ICOOR_INTERNAL H24 12.206421 70.513479 0.960268 O9 C14 C13
ICOOR_INTERNAL H23 -120.680645 71.500081 1.089917 C14 C13 O9
ICOOR_INTERNAL H26 -121.301494 72.829785 1.089793 C14 C13 H23
ICOOR_INTERNAL H22 121.104412 69.434931 1.089988 C13 O8 C14
ICOOR_INTERNAL H16 -124.202758 68.377296 1.090010 C9 C10 O8
ICOOR_INTERNAL N2 -126.152609 67.283461 1.471381 C10 C11 C9
ICOOR_INTERNAL C15 24.882808 51.136219 1.347243 N2 C10 C11
ICOOR_INTERNAL O10 35.393833 59.890221 1.142365 C15 N2 C10
ICOOR_INTERNAL C16 -179.891167 63.615903 1.484242 C15 N2 O10
ICOOR_INTERNAL H15 -113.239212 70.487501 1.090260 C16 C15 N2
ICOOR_INTERNAL H25 -120.087636 70.491075 1.090232 C16 C15 H15
ICOOR_INTERNAL H27 -119.951962 70.560856 1.089505 C16 C15 H25
ICOOR_INTERNAL H18 -179.966519 64.451773 1.009934 N2 C10 C15
ICOOR_INTERNAL H17 -116.325117 73.239501 1.090047 C10 C11 N2
ICOOR_INTERNAL O6 119.833561 72.066758 1.438617 C11 C12 C10
ICOOR_INTERNAL H20 137.204332 70.503898 0.960392 O6 C11 C12
ICOOR_INTERNAL H19 122.485037 73.949669 1.090167 C11 C12 O6
ICOOR_INTERNAL H21 -118.830398 63.771690 1.089764 C12 O7 C11
ICOOR_INTERNAL C17 115.863953 62.427934 1.376748 O7 C12 C11
ICOOR_INTERNAL C18 168.131156 73.230075 1.581945 C17 O7 C12
ICOOR_INTERNAL O11 67.369933 67.044779 1.379399 C18 C17 O7
ICOOR_INTERNAL H31 -127.906391 70.484519 0.960436 O11 C18 C17
ICOOR_INTERNAL C19 120.188753 81.593947 1.553114 C18 C17 O11
ICOOR_INTERNAL O12 146.258600 72.990113 1.393708 C19 C18 C17
ICOOR_INTERNAL C29 -107.012357 55.483113 1.377320 O12 C19 C18
ICOOR_INTERNAL C30 53.386593 66.137417 1.575451 C29 O12 C19
ICOOR_INTERNAL O21 82.160610 69.159395 1.401768 C30 C29 O12
ICOOR_INTERNAL H51 -32.438177 70.516567 0.959889 O21 C30 C29
ICOOR_INTERNAL C31 122.611098 72.878153 1.514457 C30 C29 O21
ICOOR_INTERNAL O22 -156.660992 70.619612 1.422985 C31 C30 C29
ICOOR_INTERNAL H53 -23.153116 70.521463 0.960159 O22 C31 C30
ICOOR_INTERNAL C32 123.888514 71.592259 1.515037 C31 C30 O22
ICOOR_INTERNAL O23 -165.762080 67.123456 1.398441 C32 C31 C30
ICOOR_INTERNAL H55 47.267401 70.492968 0.960143 O23 C32 C31
ICOOR_INTERNAL C33 -122.226780 73.218517 1.551671 C32 C31 O23
ICOOR_INTERNAL O24 -35.681446 71.405366 1.428968 C33 C32 C31
ICOOR_INTERNAL C34 -121.652000 65.083560 1.512060 C33 C32 O24
ICOOR_INTERNAL O25 -145.104799 71.761986 1.406338 C34 C33 C32
ICOOR_INTERNAL H48 -111.668179 70.520306 0.960166 O25 C34 C33
ICOOR_INTERNAL H57 -119.907712 70.181525 1.090532 C34 C33 O25
ICOOR_INTERNAL H58 -119.546859 69.850987 1.089841 C34 C33 H57
ICOOR_INTERNAL H56 -116.897241 73.967140 1.090386 C33 C32 C34
ICOOR_INTERNAL H54 -120.868061 70.430333 1.089917 C32 C31 C33
ICOOR_INTERNAL H52 118.353993 68.435578 1.090364 C31 C30 C32
ICOOR_INTERNAL H50 119.868282 68.941084 1.090366 C30 C29 C31
ICOOR_INTERNAL H49 118.737341 73.246129 1.089698 C29 O12 C30
ICOOR_INTERNAL C20 137.611749 71.718262 1.484934 C19 C18 O12
ICOOR_INTERNAL O13 -176.426122 63.416289 1.395050 C20 C19 C18
ICOOR_INTERNAL H34 -46.962091 70.483417 0.960426 O13 C20 C19
ICOOR_INTERNAL C21 -115.894685 77.958973 1.583871 C20 C19 O13
ICOOR_INTERNAL O14 -57.994160 70.053272 1.427656 C21 C20 C19
ICOOR_INTERNAL C22 -125.030328 67.701157 1.488425 C21 C20 O14
ICOOR_INTERNAL O15 135.318924 67.957145 1.399867 C22 C21 C20
ICOOR_INTERNAL C23 141.501562 66.379370 1.415249 O15 C22 C21
ICOOR_INTERNAL C24 -161.781730 72.736617 1.562249 C23 O15 C22
ICOOR_INTERNAL O16 131.816762 69.326332 1.411635 C24 C23 O15
ICOOR_INTERNAL H40 58.296615 70.511139 0.960014 O16 C24 C23
ICOOR_INTERNAL C25 121.584362 72.409056 1.519391 C24 C23 O16
ICOOR_INTERNAL O17 174.593601 71.829583 1.432274 C25 C24 C23
ICOOR_INTERNAL H42 18.911675 70.505193 0.960388 O17 C25 C24
ICOOR_INTERNAL C26 124.558040 68.108057 1.503551 C25 C24 O17
ICOOR_INTERNAL O18 169.526409 66.805738 1.401895 C26 C25 C24
ICOOR_INTERNAL H44 3.569462 70.482585 0.960324 O18 C26 C25
ICOOR_INTERNAL C27 -116.839676 71.330123 1.559370 C26 C25 O18
ICOOR_INTERNAL O19 6.621963 71.959323 1.409622 C27 C26 C25
ICOOR_INTERNAL C28 -125.848442 65.114816 1.509008 C27 C26 O19
ICOOR_INTERNAL O20 -114.955547 72.099996 1.408633 C28 C27 C26
ICOOR_INTERNAL H37 -26.698631 70.493665 0.960103 O20 C28 C27
ICOOR_INTERNAL H46 -119.839479 70.102561 1.090665 C28 C27 O20
ICOOR_INTERNAL H47 -119.467842 69.612853 1.090282 C28 C27 H46
ICOOR_INTERNAL H45 -114.450608 72.336132 1.090337 C27 C26 C28
ICOOR_INTERNAL H43 -122.995507 73.717532 1.090256 C26 C25 C27
ICOOR_INTERNAL H41 116.431556 70.162754 1.090011 C25 C24 C26
ICOOR_INTERNAL H39 120.154617 69.501545 1.090058 C24 C23 C25
ICOOR_INTERNAL H38 121.732461 67.450902 1.090257 C23 O15 C24
ICOOR_INTERNAL H28 -120.477081 71.156163 1.090074 C22 C21 O15
ICOOR_INTERNAL H36 -120.783056 72.049308 1.089786 C22 C21 H28
ICOOR_INTERNAL H35 -116.626527 72.029325 1.090294 C21 C20 C22
ICOOR_INTERNAL H33 -126.154074 70.950930 1.090254 C20 C19 C21
ICOOR_INTERNAL H32 110.672868 60.255036 1.089863 C19 C18 C20
ICOOR_INTERNAL H30 123.487700 64.097604 1.090227 C18 C17 C19
ICOOR_INTERNAL H29 -125.116602 70.876303 1.089617 C17 O7 C18