***  WYC-133  ***
Job options:
ID = 241204134344964877
JOBID = WYC-133
USERID = unknown
PRIVAT = 0
NMODES = 3
DQMIN = -100
DQMAX = 100
DQSTEP = 20
DOGRAPHS = on
DOPROJMODS = 0
DORMSD = 0
NRBL = 0
CUTOFF = 0
CAONLY = 0
Input data for this run:
HEADER WYC-133
CRYST1 49.345 49.345 49.345 90.00 90.00 90.00 0
ATOM 1 N LIG 1 30.310 25.180 21.790 0.00 0.00 N
ATOM 2 C1 LIG 1 19.810 22.380 21.340 0.00 0.00 C
ATOM 3 O1 LIG 1 26.620 25.660 21.630 0.00 0.00 O
ATOM 4 C2 LIG 1 18.630 23.130 21.260 0.00 0.00 C
ATOM 5 O2 LIG 1 17.640 22.810 20.310 0.00 0.00 O
ATOM 6 C3 LIG 1 20.790 22.710 22.280 0.00 0.00 C
ATOM 7 C4 LIG 1 20.600 23.790 23.180 0.00 0.00 C
ATOM 8 C5 LIG 1 19.420 24.550 23.060 0.00 0.00 C
ATOM 9 C6 LIG 1 18.440 24.220 22.120 0.00 0.00 C
ATOM 10 C7 LIG 1 21.670 24.150 24.120 0.00 0.00 C
ATOM 11 C8 LIG 1 21.440 24.120 25.490 0.00 0.00 C
ATOM 12 C9 LIG 1 20.130 23.590 26.060 0.00 0.00 C
ATOM 13 C10 LIG 1 19.950 22.070 25.940 0.00 0.00 C
ATOM 14 C11 LIG 1 22.450 24.590 26.460 0.00 0.00 C
ATOM 15 C12 LIG 1 22.990 25.900 26.390 0.00 0.00 C
ATOM 16 C13 LIG 1 23.920 26.340 27.350 0.00 0.00 C
ATOM 17 C14 LIG 1 24.310 25.480 28.380 0.00 0.00 C
ATOM 18 C15 LIG 1 23.770 24.200 28.470 0.00 0.00 C
ATOM 19 C16 LIG 1 22.840 23.750 27.520 0.00 0.00 C
ATOM 20 C17 LIG 1 22.970 24.530 23.510 0.00 0.00 C
ATOM 21 C18 LIG 1 24.200 24.000 23.960 0.00 0.00 C
ATOM 22 C19 LIG 1 23.000 25.420 22.410 0.00 0.00 C
ATOM 23 C20 LIG 1 24.220 25.770 21.810 0.00 0.00 C
ATOM 24 C21 LIG 1 25.430 25.260 22.280 0.00 0.00 C
ATOM 25 C22 LIG 1 25.410 24.360 23.360 0.00 0.00 C
ATOM 26 C23 LIG 1 27.850 25.140 22.130 0.00 0.00 C
ATOM 27 C24 LIG 1 29.020 25.710 21.300 0.00 0.00 C
ATOM 28 C25 LIG 1 30.720 25.680 23.100 0.00 0.00 C
ATOM 29 C26 LIG 1 30.540 23.770 21.530 0.00 0.00 C
ATOM 30 H1 LIG 1 19.970 21.550 20.670 0.00 0.00 H
ATOM 31 H2 LIG 1 21.700 22.130 22.330 0.00 0.00 H
ATOM 32 H3 LIG 1 19.260 25.410 23.700 0.00 0.00 H
ATOM 33 H4 LIG 1 17.530 24.800 22.040 0.00 0.00 H
ATOM 34 H5 LIG 1 19.250 24.110 25.610 0.00 0.00 H
ATOM 35 H6 LIG 1 20.070 23.840 27.150 0.00 0.00 H
ATOM 36 H7 LIG 1 20.790 21.530 26.420 0.00 0.00 H
ATOM 37 H8 LIG 1 19.890 21.760 24.870 0.00 0.00 H
ATOM 38 H9 LIG 1 19.000 21.760 26.430 0.00 0.00 H
ATOM 39 H10 LIG 1 22.690 26.570 25.600 0.00 0.00 H
ATOM 40 H11 LIG 1 24.330 27.330 27.280 0.00 0.00 H
ATOM 41 H12 LIG 1 25.020 25.820 29.120 0.00 0.00 H
ATOM 42 H13 LIG 1 24.070 23.540 29.280 0.00 0.00 H
ATOM 43 H14 LIG 1 22.450 22.750 27.610 0.00 0.00 H
ATOM 44 H15 LIG 1 24.210 23.290 24.790 0.00 0.00 H
ATOM 45 H16 LIG 1 22.080 25.840 22.030 0.00 0.00 H
ATOM 46 H17 LIG 1 24.230 26.460 20.980 0.00 0.00 H
ATOM 47 H18 LIG 1 26.320 23.930 23.750 0.00 0.00 H
ATOM 48 H19 LIG 1 27.850 24.030 22.040 0.00 0.00 H
ATOM 49 H20 LIG 1 27.980 25.430 23.190 0.00 0.00 H
ATOM 50 H21 LIG 1 29.020 26.820 21.380 0.00 0.00 H
ATOM 51 H22 LIG 1 28.890 25.440 20.230 0.00 0.00 H
ATOM 52 H23 LIG 1 30.270 25.060 23.920 0.00 0.00 H
ATOM 53 H24 LIG 1 30.410 26.730 23.250 0.00 0.00 H
ATOM 54 H25 LIG 1 31.820 25.630 23.210 0.00 0.00 H
ATOM 55 H26 LIG 1 31.630 23.550 21.490 0.00 0.00 H
ATOM 56 H27 LIG 1 30.100 23.470 20.550 0.00 0.00 H
ATOM 57 H28 LIG 1 30.090 23.130 22.320 0.00 0.00 H
ATOM 58 H29 LIG 1 17.960 22.060 19.810 0.00 0.00 H
END
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It was developed
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Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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