***    ***
Job options:
ID = 22061416253467946
JOBID =
USERID = unknown
PRIVAT = 0
NMODES = 5
DQMIN = -100
DQMAX = 100
DQSTEP = 20
DOGRAPHS = on
DOPROJMODS = 0
DORMSD = 0
NRBL = 0
CUTOFF = 0
CAONLY = 0
Input data for this run:
REMARK GENERATE LIGAND
REMARK DATE: 6/14/22 2:35:36 CREATED BY USER: apache
ATOM 1 N LIG L 1 -1.043 0.653 1.513 1.00 0.00 LIG
ATOM 2 CA LIG L 1 0.190 0.417 0.663 1.00 0.00 LIG
ATOM 3 C LIG L 1 -0.115 -0.041 -0.832 1.00 0.00 LIG
ATOM 4 O LIG L 1 -1.020 -0.779 -1.181 1.00 0.00 LIG
ATOM 5 CB LIG L 1 1.153 -0.606 1.316 1.00 0.00 LIG
ATOM 6 OXT LIG L 1 0.750 0.469 -1.799 1.00 0.00 LIG
ATOM 7 H1 LIG L 1 -1.776 -0.049 1.414 1.00 0.00 LIG
ATOM 8 H2 LIG L 1 -0.931 0.886 2.494 1.00 0.00 LIG
ATOM 9 HA LIG L 1 0.736 1.390 0.607 1.00 0.00 LIG
ATOM 10 HB1 LIG L 1 0.696 -1.616 1.349 1.00 0.00 LIG
ATOM 11 HB2 LIG L 1 1.430 -0.303 2.347 1.00 0.00 LIG
ATOM 12 HB3 LIG L 1 2.093 -0.675 0.722 1.00 0.00 LIG
ATOM 13 HXT LIG L 1 0.462 0.176 -2.665 1.00 0.00 LIG
TER 14 LIG 1
END
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.
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