***  output  ***
Job options:
ID = 2404220252371793331
JOBID = output
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:
HEADER output
ATOM 1 C10 UNL 1 0.895 67.522 69.097 1.00 0.00 C
ATOM 2 O1 UNL 1 0.081 67.779 68.185 1.00 0.00 O
ATOM 3 N2 UNL 1 1.806 68.466 69.533 1.00 0.00 N
ATOM 4 H14 UNL 1 2.506 68.186 70.179 1.00 0.00 H
ATOM 5 C5 UNL 1 2.041 64.275 70.734 1.00 0.00 C
ATOM 6 C6 UNL 1 0.789 63.754 71.128 1.00 0.00 C
ATOM 7 C7 UNL 1 -0.385 64.444 70.843 1.00 0.00 C
ATOM 8 C8 UNL 1 -0.350 65.668 70.180 1.00 0.00 C
ATOM 9 C9 UNL 1 0.883 66.211 69.809 1.00 0.00 C
ATOM 10 C22 UNL 1 2.068 65.523 70.072 1.00 0.00 C
ATOM 11 N1 UNL 1 3.241 63.609 71.099 1.00 0.00 N
ATOM 12 H10 UNL 1 4.015 64.249 71.056 1.00 0.00 H
ATOM 13 C1 UNL 1 4.927 61.840 70.899 1.00 0.00 C
ATOM 14 C2 UNL 1 3.600 62.392 70.345 1.00 0.00 C
ATOM 15 C3 UNL 1 3.800 62.654 68.842 1.00 0.00 C
ATOM 16 C4 UNL 1 2.545 61.288 70.490 1.00 0.00 C
ATOM 17 C11 UNL 1 1.999 69.725 68.866 1.00 0.00 C
ATOM 18 C12 UNL 1 3.354 69.885 68.228 1.00 0.00 C
ATOM 19 C13 UNL 1 4.332 70.576 68.910 1.00 0.00 C
ATOM 20 C14 UNL 1 5.609 70.781 68.341 1.00 0.00 C
ATOM 21 C15 UNL 1 5.894 70.288 67.092 1.00 0.00 C
ATOM 22 C16 UNL 1 4.910 69.567 66.362 1.00 0.00 C
ATOM 23 C17 UNL 1 5.195 69.054 65.066 1.00 0.00 C
ATOM 24 C18 UNL 1 4.242 68.359 64.365 1.00 0.00 C
ATOM 25 C19 UNL 1 2.962 68.144 64.929 1.00 0.00 C
ATOM 26 C20 UNL 1 2.660 68.629 66.178 1.00 0.00 C
ATOM 27 C21 UNL 1 3.625 69.356 66.931 1.00 0.00 C
ATOM 28 HC UNL 1 0.739 62.798 71.674 1.00 0.00 H
ATOM 29 HC1 UNL 1 -1.353 64.017 71.150 1.00 0.00 H
ATOM 30 HC2 UNL 1 -1.279 66.209 69.939 1.00 0.00 H
ATOM 31 HC3 UNL 1 3.031 65.950 69.749 1.00 0.00 H
ATOM 32 HC4 UNL 1 1.192 69.861 68.088 1.00 0.00 H
ATOM 33 HC5 UNL 1 1.866 70.541 69.638 1.00 0.00 H
ATOM 34 HC6 UNL 1 4.128 70.988 69.911 1.00 0.00 H
ATOM 35 HC7 UNL 1 6.365 71.340 68.911 1.00 0.00 H
ATOM 36 HC8 UNL 1 6.883 70.442 66.635 1.00 0.00 H
ATOM 37 HC9 UNL 1 6.195 69.229 64.640 1.00 0.00 H
ATOM 38 HC10 UNL 1 4.459 67.962 63.362 1.00 0.00 H
ATOM 39 HC11 UNL 1 2.211 67.584 64.353 1.00 0.00 H
ATOM 40 HC12 UNL 1 1.660 68.449 66.610 1.00 0.00 H
ATOM 41 HC13 UNL 1 5.750 62.584 70.779 1.00 0.00 H
ATOM 42 HC14 UNL 1 4.825 61.584 71.980 1.00 0.00 H
ATOM 43 HC15 UNL 1 5.199 60.917 70.335 1.00 0.00 H
ATOM 44 HC16 UNL 1 2.868 63.069 68.389 1.00 0.00 H
ATOM 45 HC17 UNL 1 4.633 63.377 68.675 1.00 0.00 H
ATOM 46 HC18 UNL 1 4.052 61.698 68.327 1.00 0.00 H
ATOM 47 HC19 UNL 1 1.595 61.580 69.981 1.00 0.00 H
ATOM 48 HC20 UNL 1 2.334 61.079 71.566 1.00 0.00 H
ATOM 49 HC21 UNL 1 2.929 60.354 70.014 1.00 0.00 H
If you find results from this site helpful for your research, please cite one of our papers:
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: April 25th, 2023.
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