--SREFLEX LOG
--VERSION: ATSAS 2.8.0 (r8972)
--DATE and TIME: 2017-02-28 15:05:52
--INPUT SAXS data filename: 1778_merge_dsv.dat
--INPUT PDB filename: HEAT-repeat-kleisin.pdb
--INPUT PDB contains 7464 ATOM entries, of which 920 are centroids.
--CPU cores/threads that will be used: 8
--INIT: Initial Chi2 is low, adapting parameters...
--NMA: Running initial normal mode analysis...
--DOMDEF: DOMAIN DEFINITION
--DOMDEF source: AUTO
--DOMDEF: Running automatic structure partition...
--DOMDEF: 1:236,237:588,589:853,854:893,894:920
--R ++ RESTRAINED STAGE: START
--R RESTRAINED STAGE: generating conformers...
--R -SCORING: START
--R --SCORING: Processing 100 conformers...
--R --SCORING JOBS: FINISHED
--R --TEMP DIRS: DELETING
--R --STRUCTURAL FILTERS PURGING...
--R --STRUCTURAL FILTERS INPUT: 100 conformers.
--R --STRUCTURAL FILTERS OUTPUT: 100 conformers.
--R --STRUCTURAL FILTERS: FINISHED
--R --CONFORMERS: SORTING ACCORDING TO Chi2
--R --REDUNDANCY: START
--R --REDUNDANCY INPUT: 100 conformers.
--R --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--R --REDUNDANCY: FINISHED
--R SCORING: FINISHED
--R stage status, level: 1
--R current convergence ratio: 0.00010351
--R  (current/previous Chi2) = 1.035/9999)
--R List of conformers in current cycle:
--R Chi2	modes
--R 1.0	n9s1
--R 1.0	n7s1
--R 1.1	n11s-1
--R 1.1	n14s-4
--R 1.1	n14s2
--R 1.1	n8s-1
--R 1.1	n14s4
--R 1.1	n16s-2
--R 1.1	n8s1
--R 1.1	n14s-2
--R 1.2	n7s3
--R 1.2	n9s3
--R 1.2	n12s2
--R 1.2	n11s-3
--R 1.2	n7s-1
--R 1.3	n9s-2
--R -SCORING: START
--R --SCORING: Processing 876 conformers...
--R --SCORING JOBS: FINISHED
--R --TEMP DIRS: DELETING
--R --STRUCTURAL FILTERS PURGING...
--R --STRUCTURAL FILTERS INPUT: 876 conformers.
--R --STRUCTURAL FILTERS OUTPUT: 875 conformers.
--R --STRUCTURAL FILTERS: FINISHED
--R --CONFORMERS: SORTING ACCORDING TO Chi2
--R --REDUNDANCY: START
--R --REDUNDANCY INPUT: 875 conformers.
--R --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--R --REDUNDANCY: FINISHED
--R SCORING: FINISHED
--R stage status, level: 2
--R current convergence ratio: 0.838647
--R  (current/previous Chi2) = 0.868/1.035)
--R List of conformers in current cycle:
--R Chi2	modes
--R 0.9	n7s3xn8s-2
--R 0.9	n7s1xn9s1
--R 1.0	n7s1xn11s-1
--R 1.0	n7s1xn8s-1
--R 1.0	n7s3xn8s-4
--R 1.0	n7s1xn14s2
--R 1.0	n7s3xn10s1
--R 1.0	n8s1xn16s-2
--R 1.0	n8s1xn9s2
--R 1.0	n12s2xn16s2
--R 1.0	n8s1xn12s1
--R 1.0	n7s1xn16s-2
--R 1.0	n11s-1xn14s5
--R 1.0	n7s1xn9s3
--R 1.0	n8s-1xn14s-2
--R 1.0	n7s3xn11s-3
--R convergence reached, stage finalizing...
--R -SCORING: START
--R --SCORING: Processing 5 conformers...
--R --SCORING JOBS: FINISHED
--R --TEMP DIRS: DELETING
--R --STRUCTURAL FILTERS PURGING...
--R --STRUCTURAL FILTERS INPUT: 5 conformers.
--R --STRUCTURAL FILTERS OUTPUT: 5 conformers.
--R --STRUCTURAL FILTERS: FINISHED
--R --CONFORMERS: SORTING ACCORDING TO Chi2
--R --REDUNDANCY: START
--R --REDUNDANCY INPUT: 5 conformers.
--R --REDUNDANCY OUTPUT (TOP ONLY): 5 conformers.
--R --REDUNDANCY: FINISHED
--R SCORING: FINISHED
--R OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/rc01.fit
--R OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/rc02.fit
--R OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/rc03.fit
--R OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/rc04.fit
--R OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/rc05.fit
--R OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/rc01.pdb
--R OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/rc02.pdb
--R OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/rc03.pdb
--R OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/rc04.pdb
--R OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/rc05.pdb
--R ++ RESTRAINED STAGE: FINISHED
--R TOTAL CONFORMERS AVAILABLE FOR UNRESTRAINED STAGE: 17
--U ++UNRESTRAINED STAGE: START
--U -NMA JOBS: START
--U --NMA JOBS: FINISHED
--U current init conformer index: 0
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 0 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 0 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.37219e-05
--U  (current/previous Chi2) = 0.833/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n7s3xn8s-2_X_n8s1
--U 0.8	n7s3xn8s-2_X_n9s2
--U 0.8	n7s3xn8s-2_X_n8s2
--U 0.8	n7s3xn8s-2_X_n10s-1
--U 0.8	n7s3xn8s-2_X_n9s1
--U 0.9	n7s3xn8s-2_X_n13s-1
--U 0.9	n7s3xn8s-2_X_n15s-1
--U 0.9	n7s3xn8s-2_X_n7s-1
--U 0.9	n7s3xn8s-2_X_n7s1
--U 0.9	n7s3xn8s-2_X_n12s1
--U 0.9	n7s3xn8s-2_X_n14s-1
--U 0.9	n7s3xn8s-2_X_n13s-2
--U 0.9	n7s3xn8s-2_X_n7s-2
--U 0.9	n7s3xn8s-2_X_n15s-2
--U 0.9	n7s3xn8s-2_X_n16s-1
--U 0.9	n7s3xn8s-2_X_n14s1
--U UNRESTRAINED STAGE, working on conformer nr. 0 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 0 # conformers: 16
--U level: 2, conformer list expanded to: 332
--U -SCORING: START
--U --SCORING: Processing 332 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 332 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 332 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 332 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.948379
--U  (current/previous Chi2) = 0.79/0.833)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n7s3xn8s-2_X_n8s2xn14s1
--U 0.8	n7s3xn8s-2_X_n7s-2xn8s2
--U 0.8	n7s3xn8s-2_X_n8s2xn11s1
--U 0.8	n7s3xn8s-2_X_n8s2xn14s2
--U 0.8	n7s3xn8s-2_X_n7s-1xn8s2
--U 0.8	n7s3xn8s-2_X_n8s2xn16s-1
--U 0.8	n7s3xn8s-2_X_n8s2xn16s-2
--U 0.8	n7s3xn8s-2_X_n7s-1xn8s1
--U 0.8	n7s3xn8s-2_X_n9s2xn13s2
--U 0.8	n7s3xn8s-2_X_n7s-2xn8s1
--U 0.8	n7s3xn8s-2_X_n9s2xn12s1
--U 0.8	n7s3xn8s-2_X_n9s1xn12s1
--U 0.8	n7s3xn8s-2_X_n12s1xn15s-1
--U 0.8	n7s3xn8s-2_X_n14s1xn15s-2
--U 0.8	n7s3xn8s-2_X_n9s2xn13s1
--U 0.8	n7s3xn8s-2_X_n8s2xn12s-1
--U convergence reached, cycle finalizing...
--U current init conformer index: 1
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 1 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 1 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 0.00010306
--U  (current/previous Chi2) = 0.916/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s1xn9s1_X_n8s2
--U 0.9	n7s1xn9s1_X_n8s-2
--U 0.9	n7s1xn9s1_X_n12s-1
--U 0.9	n7s1xn9s1_X_n14s-1
--U 0.9	n7s1xn9s1_X_n8s1
--U 0.9	n7s1xn9s1_X_n9s-2
--U 0.9	n7s1xn9s1_X_n7s-1
--U 1.0	n7s1xn9s1_X_n11s1
--U 1.0	n7s1xn9s1_X_n9s1
--U 1.0	n7s1xn9s1_X_n8s-1
--U 1.0	n7s1xn9s1_X_n12s-2
--U 1.0	n7s1xn9s1_X_n14s-2
--U 1.0	n7s1xn9s1_X_n12s2
--U 1.0	n7s1xn9s1_X_n9s-1
--U 1.0	n7s1xn9s1_X_n15s1
--U 1.0	n7s1xn9s1_X_n13s-1
--U UNRESTRAINED STAGE, working on conformer nr. 1 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 1 # conformers: 16
--U level: 2, conformer list expanded to: 364
--U -SCORING: START
--U --SCORING: Processing 364 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 364 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 364 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 364 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.908297
--U  (current/previous Chi2) = 0.832/0.916)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n7s1xn9s1_X_n9s-2xn14s-2
--U 0.8	n7s1xn9s1_X_n7s-1xn8s2
--U 0.9	n7s1xn9s1_X_n8s-2xn9s-2
--U 0.9	n7s1xn9s1_X_n9s-2xn12s-1
--U 0.9	n7s1xn9s1_X_n8s2xn14s-1
--U 0.9	n7s1xn9s1_X_n9s-2xn15s1
--U 0.9	n7s1xn9s1_X_n9s-2xn14s-1
--U 0.9	n7s1xn9s1_X_n9s-2xn12s-2
--U 0.9	n7s1xn9s1_X_n14s-2xn15s-1
--U 0.9	n7s1xn9s1_X_n9s-2xn13s1
--U 0.9	n7s1xn9s1_X_n14s-2xn15s-2
--U 0.9	n7s1xn9s1_X_n8s-2xn9s-1
--U 0.9	n7s1xn9s1_X_n8s2xn14s-2
--U 0.9	n7s1xn9s1_X_n11s1xn14s-2
--U 0.9	n7s1xn9s1_X_n8s2xn16s-1
--U 0.9	n7s1xn9s1_X_n7s-1xn8s1
--U convergence reached, cycle finalizing...
--U current init conformer index: 2
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 2 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 2 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 0.00010216
--U  (current/previous Chi2) = 0.908/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s1xn11s-1_X_n14s2
--U 0.9	n7s1xn11s-1_X_n8s2
--U 0.9	n7s1xn11s-1_X_n8s1
--U 0.9	n7s1xn11s-1_X_n14s1
--U 0.9	n7s1xn11s-1_X_n9s-1
--U 0.9	n7s1xn11s-1_X_n12s1
--U 0.9	n7s1xn11s-1_X_n11s2
--U 1.0	n7s1xn11s-1_X_n7s-1
--U 1.0	n7s1xn11s-1_X_n9s-2
--U 1.0	n7s1xn11s-1_X_n11s1
--U 1.0	n7s1xn11s-1_X_n12s2
--U 1.0	n7s1xn11s-1_X_n16s1
--U 1.0	n7s1xn11s-1_X_n15s1
--U 1.0	n7s1xn11s-1_X_n12s-1
--U 1.0	n7s1xn11s-1_X_n7s-2
--U 1.0	n7s1xn11s-1_X_n15s2
--U UNRESTRAINED STAGE, working on conformer nr. 2 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 2 # conformers: 16
--U level: 2, conformer list expanded to: 320
--U -SCORING: START
--U --SCORING: Processing 320 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 320 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 320 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 320 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.888767
--U  (current/previous Chi2) = 0.807/0.908)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n7s1xn11s-1_X_n7s-2xn8s2
--U 0.8	n7s1xn11s-1_X_n7s-1xn8s2
--U 0.8	n7s1xn11s-1_X_n8s2xn14s2
--U 0.9	n7s1xn11s-1_X_n7s-1xn8s1
--U 0.9	n7s1xn11s-1_X_n8s2xn11s2
--U 0.9	n7s1xn11s-1_X_n8s2xn11s1
--U 0.9	n7s1xn11s-1_X_n8s2xn14s1
--U 0.9	n7s1xn11s-1_X_n14s2xn15s-1
--U 0.9	n7s1xn11s-1_X_n8s2xn10s1
--U 0.9	n7s1xn11s-1_X_n14s2xn15s-2
--U 0.9	n7s1xn11s-1_X_n8s1xn14s1
--U 0.9	n7s1xn11s-1_X_n8s1xn14s2
--U 0.9	n7s1xn11s-1_X_n12s1xn14s2
--U 0.9	n7s1xn11s-1_X_n7s-2xn8s1
--U 0.9	n7s1xn11s-1_X_n7s-2xn12s2
--U 0.9	n7s1xn11s-1_X_n12s1xn14s1
--U convergence reached, cycle finalizing...
--U current init conformer index: 3
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 3 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 3 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.9685e-05
--U  (current/previous Chi2) = 0.886/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s1xn8s-1_X_n14s2
--U 0.9	n7s1xn8s-1_X_n7s-2
--U 0.9	n7s1xn8s-1_X_n7s-1
--U 0.9	n7s1xn8s-1_X_n8s-2
--U 0.9	n7s1xn8s-1_X_n14s1
--U 1.0	n7s1xn8s-1_X_n9s1
--U 1.0	n7s1xn8s-1_X_n13s1
--U 1.0	n7s1xn8s-1_X_n12s1
--U 1.0	n7s1xn8s-1_X_n15s1
--U 1.0	n7s1xn8s-1_X_n11s-1
--U 1.0	n7s1xn8s-1_X_n8s-1
--U 1.0	n7s1xn8s-1_X_n8s1
--U 1.0	n7s1xn8s-1_X_n9s-1
--U 1.0	n7s1xn8s-1_X_n13s2
--U 1.0	n7s1xn8s-1_X_n11s1
--U 1.0	n7s1xn8s-1_X_n11s2
--U UNRESTRAINED STAGE, working on conformer nr. 3 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 3 # conformers: 16
--U level: 2, conformer list expanded to: 360
--U -SCORING: START
--U --SCORING: Processing 360 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 360 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 360 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 360 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.93228
--U  (current/previous Chi2) = 0.826/0.886)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n7s1xn8s-1_X_n7s-2xn8s2
--U 0.8	n7s1xn8s-1_X_n11s1xn14s2
--U 0.8	n7s1xn8s-1_X_n9s1xn14s2
--U 0.8	n7s1xn8s-1_X_n7s-2xn8s1
--U 0.8	n7s1xn8s-1_X_n11s2xn14s2
--U 0.8	n7s1xn8s-1_X_n14s2xn15s-1
--U 0.9	n7s1xn8s-1_X_n13s1xn14s2
--U 0.9	n7s1xn8s-1_X_n13s2xn14s2
--U 0.9	n7s1xn8s-1_X_n7s-2xn12s1
--U 0.9	n7s1xn8s-1_X_n8s1xn14s2
--U 0.9	n7s1xn8s-1_X_n7s-2xn14s-1
--U 0.9	n7s1xn8s-1_X_n14s2xn15s-2
--U 0.9	n7s1xn8s-1_X_n7s-1xn8s1
--U 0.9	n7s1xn8s-1_X_n7s-1xn8s2
--U 0.9	n7s1xn8s-1_X_n14s2
--U 0.9	n7s1xn8s-1_X_n7s-1xn12s1
--U convergence reached, cycle finalizing...
--U current init conformer index: 4
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 4 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 4 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.58596e-05
--U  (current/previous Chi2) = 0.852/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s3xn8s-4_X_n11s1
--U 0.9	n7s3xn8s-4_X_n15s-2
--U 0.9	n7s3xn8s-4_X_n15s-1
--U 0.9	n7s3xn8s-4_X_n9s-2
--U 0.9	n7s3xn8s-4_X_n11s2
--U 0.9	n7s3xn8s-4_X_n16s2
--U 0.9	n7s3xn8s-4_X_n9s-1
--U 0.9	n7s3xn8s-4_X_n7s2
--U 0.9	n7s3xn8s-4_X_n7s1
--U 0.9	n7s3xn8s-4_X_n13s-1
--U 0.9	n7s3xn8s-4_X_n13s-2
--U 0.9	n7s3xn8s-4_X_n16s1
--U 0.9	n7s3xn8s-4_X_n14s1
--U 1.0	n7s3xn8s-4_X_n14s2
--U 1.0	n7s3xn8s-4_X_n10s1
--U 1.0	n7s3xn8s-4_X_n12s-1
--U UNRESTRAINED STAGE, working on conformer nr. 4 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 4 # conformers: 16
--U level: 2, conformer list expanded to: 272
--U -SCORING: START
--U --SCORING: Processing 272 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 272 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 271 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 271 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.915493
--U  (current/previous Chi2) = 0.78/0.852)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n7s3xn8s-4_X_n14s2xn15s-2
--U 0.8	n7s3xn8s-4_X_n9s-2xn16s2
--U 0.8	n7s3xn8s-4_X_n11s1xn16s2
--U 0.8	n7s3xn8s-4_X_n14s1xn15s-2
--U 0.8	n7s3xn8s-4_X_n7s2xn15s-2
--U 0.8	n7s3xn8s-4_X_n11s1xn15s-2
--U 0.8	n7s3xn8s-4_X_n11s1xn15s-1
--U 0.8	n7s3xn8s-4_X_n7s2xn15s-1
--U 0.8	n7s3xn8s-4_X_n9s-2xn16s1
--U 0.8	n7s3xn8s-4_X_n7s2xn16s2
--U 0.8	n7s3xn8s-4_X_n7s1xn15s-2
--U 0.8	n7s3xn8s-4_X_n9s-2xn11s1
--U 0.8	n7s3xn8s-4_X_n9s-1xn11s1
--U 0.8	n7s3xn8s-4_X_n7s2xn11s1
--U 0.8	n7s3xn8s-4_X_n7s1xn11s1
--U 0.8	n7s3xn8s-4_X_n11s1xn16s1
--U convergence reached, cycle finalizing...
--U current init conformer index: 5
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 5 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 5 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.85599e-05
--U  (current/previous Chi2) = 0.876/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s1xn14s2_X_n14s2
--U 0.9	n7s1xn14s2_X_n14s1
--U 0.9	n7s1xn14s2_X_n13s1
--U 0.9	n7s1xn14s2_X_n9s2
--U 0.9	n7s1xn14s2_X_n9s1
--U 0.9	n7s1xn14s2_X_n7s1
--U 0.9	n7s1xn14s2_X_n8s2
--U 0.9	n7s1xn14s2_X_n15s-1
--U 1.0	n7s1xn14s2_X_n7s2
--U 1.0	n7s1xn14s2_X_n11s1
--U 1.0	n7s1xn14s2_X_n12s-1
--U 1.0	n7s1xn14s2_X_n13s2
--U 1.0	n7s1xn14s2_X_n8s1
--U 1.0	n7s1xn14s2_X_n12s-2
--U 1.0	n7s1xn14s2_X_n8s-1
--U 1.0	n7s1xn14s2_X_n16s-1
--U UNRESTRAINED STAGE, working on conformer nr. 5 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 5 # conformers: 16
--U level: 2, conformer list expanded to: 336
--U -SCORING: START
--U --SCORING: Processing 336 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 336 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 336 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 336 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.968037
--U  (current/previous Chi2) = 0.848/0.876)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n7s1xn14s2_X_n7s2xn8s-2
--U 0.9	n7s1xn14s2_X_n11s1xn14s2
--U 0.9	n7s1xn14s2_X_n8s-1xn14s2
--U 0.9	n7s1xn14s2_X_n7s2xn11s1
--U 0.9	n7s1xn14s2_X_n7s2xn8s-1
--U 0.9	n7s1xn14s2_X_n13s1xn14s2
--U 0.9	n7s1xn14s2_X_n7s1xn9s1
--U 0.9	n7s1xn14s2_X_n9s2xn16s-2
--U 0.9	n7s1xn14s2_X_n14s2
--U 0.9	n7s1xn14s2_X_n8s1xn14s2
--U 0.9	n7s1xn14s2_X_n9s2xn16s-1
--U 0.9	n7s1xn14s2_X_n14s2xn15s1
--U 0.9	n7s1xn14s2_X_n7s1xn9s2
--U 0.9	n7s1xn14s2_X_n8s2xn11s1
--U 0.9	n7s1xn14s2_X_n9s1xn14s1
--U 0.9	n7s1xn14s2_X_n7s2xn9s2
--U convergence reached, cycle finalizing...
--U current init conformer index: 6
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 6 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 6 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.95725e-05
--U  (current/previous Chi2) = 0.885/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s3xn10s1_X_n8s-2
--U 0.9	n7s3xn10s1_X_n7s1
--U 0.9	n7s3xn10s1_X_n8s-1
--U 0.9	n7s3xn10s1_X_n7s2
--U 0.9	n7s3xn10s1_X_n16s-1
--U 0.9	n7s3xn10s1_X_n16s-2
--U 1.0	n7s3xn10s1_X_n9s1
--U 1.0	n7s3xn10s1_X_n15s1
--U 1.0	n7s3xn10s1_X_n13s1
--U 1.0	n7s3xn10s1_X_n14s-1
--U 1.0	n7s3xn10s1_X_n13s2
--U 1.0	n7s3xn10s1_X_n9s2
--U 1.0	n7s3xn10s1_X_n12s-1
--U 1.0	n7s3xn10s1_X_n9s-1
--U 1.0	n7s3xn10s1_X_n11s1
--U 1.0	n7s3xn10s1_X_n8s1
--U UNRESTRAINED STAGE, working on conformer nr. 6 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 6 # conformers: 16
--U level: 2, conformer list expanded to: 340
--U -SCORING: START
--U --SCORING: Processing 340 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 340 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 340 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 340 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.961582
--U  (current/previous Chi2) = 0.851/0.885)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s3xn10s1_X_n8s-2xn11s1
--U 0.9	n7s3xn10s1_X_n7s2xn14s1
--U 0.9	n7s3xn10s1_X_n8s-2xn15s1
--U 0.9	n7s3xn10s1_X_n7s1xn8s-2
--U 0.9	n7s3xn10s1_X_n7s2xn14s2
--U 0.9	n7s3xn10s1_X_n8s-2xn12s-1
--U 0.9	n7s3xn10s1_X_n8s-2xn13s1
--U 0.9	n7s3xn10s1_X_n8s-2xn11s2
--U 0.9	n7s3xn10s1_X_n8s-2xn10s-1
--U 0.9	n7s3xn10s1_X_n7s2xn8s2
--U 0.9	n7s3xn10s1_X_n8s-2
--U 0.9	n7s3xn10s1_X_n7s1xn8s-1
--U 0.9	n7s3xn10s1_X_n8s-2xn16s-1
--U 0.9	n7s3xn10s1_X_n9s2xn15s2
--U 0.9	n7s3xn10s1_X_n9s1xn15s1
--U 0.9	n7s3xn10s1_X_n8s-2xn14s1
--U convergence reached, cycle finalizing...
--U current init conformer index: 7
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 7 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 7 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 0.000106998
--U  (current/previous Chi2) = 0.951/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 1.0	n8s1xn16s-2_X_n9s2
--U 1.0	n8s1xn16s-2_X_n7s-1
--U 1.0	n8s1xn16s-2_X_n12s2
--U 1.0	n8s1xn16s-2_X_n14s-1
--U 1.0	n8s1xn16s-2_X_n9s1
--U 1.0	n8s1xn16s-2_X_n7s-2
--U 1.0	n8s1xn16s-2_X_n14s-2
--U 1.0	n8s1xn16s-2_X_n12s1
--U 1.0	n8s1xn16s-2_X_n16s1
--U 1.0	n8s1xn16s-2_X_n8s2
--U 1.0	n8s1xn16s-2_X_n8s1
--U 1.0	n8s1xn16s-2_X_n12s-1
--U 1.0	n8s1xn16s-2_X_n8s-1
--U 1.0	n8s1xn16s-2_X_n11s-1
--U 1.0	n8s1xn16s-2_X_n11s1
--U 1.1	n8s1xn16s-2_X_n15s-1
--U UNRESTRAINED STAGE, working on conformer nr. 7 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 7 # conformers: 16
--U level: 2, conformer list expanded to: 348
--U -SCORING: START
--U --SCORING: Processing 348 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 348 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 348 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 348 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.945321
--U  (current/previous Chi2) = 0.899/0.951)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n8s1xn16s-2_X_n7s-2xn8s-2
--U 0.9	n8s1xn16s-2_X_n9s2xn14s2
--U 0.9	n8s1xn16s-2_X_n7s-2xn8s-1
--U 0.9	n8s1xn16s-2_X_n9s2xn14s1
--U 0.9	n8s1xn16s-2_X_n7s-2xn13s-1
--U 0.9	n8s1xn16s-2_X_n7s-1xn8s-1
--U 0.9	n8s1xn16s-2_X_n7s-2xn12s-1
--U 0.9	n8s1xn16s-2_X_n7s-1xn8s-2
--U 0.9	n8s1xn16s-2_X_n7s-2xn15s1
--U 0.9	n8s1xn16s-2_X_n14s-2xn15s2
--U 0.9	n8s1xn16s-2_X_n8s-1xn9s2
--U 1.0	n8s1xn16s-2_X_n9s2xn12s-1
--U 1.0	n8s1xn16s-2_X_n9s2
--U 1.0	n8s1xn16s-2_X_n7s-2xn11s-1
--U 1.0	n8s1xn16s-2_X_n7s-2xn11s-2
--U 1.0	n8s1xn16s-2_X_n14s-2xn15s1
--U convergence reached, cycle finalizing...
--U current init conformer index: 8
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 8 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 8 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 0.00010486
--U  (current/previous Chi2) = 0.932/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n8s1xn9s2_X_n9s-2
--U 0.9	n8s1xn9s2_X_n8s2
--U 1.0	n8s1xn9s2_X_n9s-1
--U 1.0	n8s1xn9s2_X_n7s-1
--U 1.0	n8s1xn9s2_X_n14s-1
--U 1.0	n8s1xn9s2_X_n7s-2
--U 1.0	n8s1xn9s2_X_n14s-2
--U 1.0	n8s1xn9s2_X_n8s1
--U 1.0	n8s1xn9s2_X_n16s2
--U 1.0	n8s1xn9s2_X_n11s2
--U 1.0	n8s1xn9s2_X_n11s1
--U 1.0	n8s1xn9s2_X_n16s1
--U 1.0	n8s1xn9s2_X_n15s-1
--U 1.0	n8s1xn9s2_X_n12s1
--U 1.0	n8s1xn9s2_X_n11s-1
--U 1.0	n8s1xn9s2_X_n13s-1
--U UNRESTRAINED STAGE, working on conformer nr. 8 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 8 # conformers: 16
--U level: 2, conformer list expanded to: 316
--U -SCORING: START
--U --SCORING: Processing 316 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 316 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 316 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 316 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.932403
--U  (current/previous Chi2) = 0.869/0.932)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n8s1xn9s2_X_n7s-1xn9s-2
--U 0.9	n8s1xn9s2_X_n9s-2xn14s-1
--U 0.9	n8s1xn9s2_X_n7s-2xn9s-2
--U 0.9	n8s1xn9s2_X_n9s-2xn14s-2
--U 0.9	n8s1xn9s2_X_n8s2xn9s-2
--U 0.9	n8s1xn9s2_X_n8s1xn9s-2
--U 0.9	n8s1xn9s2_X_n9s-2xn13s1
--U 0.9	n8s1xn9s2_X_n9s-2xn15s-1
--U 0.9	n8s1xn9s2_X_n7s-2xn8s-2
--U 0.9	n8s1xn9s2_X_n11s2xn14s-2
--U 0.9	n8s1xn9s2_X_n8s2xn9s-1
--U 0.9	n8s1xn9s2_X_n7s-1xn9s-1
--U 0.9	n8s1xn9s2_X_n14s-2xn15s2
--U 0.9	n8s1xn9s2_X_n9s-1xn14s-1
--U 0.9	n8s1xn9s2_X_n7s-2xn8s-1
--U 0.9	n8s1xn9s2_X_n9s-2xn16s1
--U convergence reached, cycle finalizing...
--U current init conformer index: 9
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 9 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 9 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 37 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 37 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.57471e-05
--U  (current/previous Chi2) = 0.851/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n12s2xn16s2_X_n16s2
--U 0.9	n12s2xn16s2_X_n7s2
--U 0.9	n12s2xn16s2_X_n12s-2
--U 0.9	n12s2xn16s2_X_n16s1
--U 0.9	n12s2xn16s2_X_n7s1
--U 0.9	n12s2xn16s2_X_n13s2
--U 1.0	n12s2xn16s2_X_n12s-1
--U 1.0	n12s2xn16s2_X_n8s-1
--U 1.0	n12s2xn16s2_X_n11s-2
--U 1.0	n12s2xn16s2_X_n13s1
--U 1.0	n12s2xn16s2_X_n8s-2
--U 1.0	n12s2xn16s2_X_n11s-1
--U 1.0	n12s2xn16s2_X_n13s-2
--U 1.0	n12s2xn16s2_X_n13s-1
--U 1.0	n12s2xn16s2_X_n9s-1
--U 1.1	n12s2xn16s2_X_n14s1
--U UNRESTRAINED STAGE, working on conformer nr. 9 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 9 # conformers: 16
--U level: 2, conformer list expanded to: 308
--U -SCORING: START
--U --SCORING: Processing 308 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 308 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 270 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 270 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.954172
--U  (current/previous Chi2) = 0.812/0.851)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n12s2xn16s2_X_n13s2xn16s2
--U 0.8	n12s2xn16s2_X_n13s1xn16s2
--U 0.8	n12s2xn16s2_X_n8s-1xn16s2
--U 0.8	n12s2xn16s2_X_n7s2xn11s2
--U 0.8	n12s2xn16s2_X_n14s1xn16s2
--U 0.8	n12s2xn16s2_X_n7s1xn16s2
--U 0.8	n12s2xn16s2_X_n7s2xn11s1
--U 0.8	n12s2xn16s2_X_n8s-2xn16s2
--U 0.9	n12s2xn16s2_X_n16s2
--U 0.9	n12s2xn16s2_X_n12s-1xn16s2
--U 0.9	n12s2xn16s2_X_n7s2xn13s1
--U 0.9	n12s2xn16s2_X_n11s-1xn16s2
--U 0.9	n12s2xn16s2_X_n13s2xn16s1
--U 0.9	n12s2xn16s2_X_n7s2xn16s1
--U 0.9	n12s2xn16s2_X_n7s1xn16s1
--U 0.9	n12s2xn16s2_X_n7s2xn13s2
--U convergence reached, cycle finalizing...
--U current init conformer index: 10
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 10 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 10 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 0.00010216
--U  (current/previous Chi2) = 0.908/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n8s1xn12s1_X_n14s-2
--U 0.9	n8s1xn12s1_X_n14s-1
--U 1.0	n8s1xn12s1_X_n7s-2
--U 1.0	n8s1xn12s1_X_n12s2
--U 1.0	n8s1xn12s1_X_n8s2
--U 1.0	n8s1xn12s1_X_n15s-1
--U 1.0	n8s1xn12s1_X_n7s-1
--U 1.0	n8s1xn12s1_X_n12s-1
--U 1.0	n8s1xn12s1_X_n8s1
--U 1.0	n8s1xn12s1_X_n15s-2
--U 1.0	n8s1xn12s1_X_n9s1
--U 1.0	n8s1xn12s1_X_n12s-2
--U 1.0	n8s1xn12s1_X_n11s1
--U 1.0	n8s1xn12s1_X_n8s-1
--U 1.0	n8s1xn12s1_X_n9s-2
--U 1.0	n8s1xn12s1_X_n10s-1
--U UNRESTRAINED STAGE, working on conformer nr. 10 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 10 # conformers: 16
--U level: 2, conformer list expanded to: 356
--U -SCORING: START
--U --SCORING: Processing 356 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 356 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 356 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 356 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.948238
--U  (current/previous Chi2) = 0.861/0.908)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n8s1xn12s1_X_n7s-2xn8s-2
--U 0.9	n8s1xn12s1_X_n8s-1xn14s-2
--U 0.9	n8s1xn12s1_X_n14s-2xn15s1
--U 0.9	n8s1xn12s1_X_n12s-1xn14s-2
--U 0.9	n8s1xn12s1_X_n7s-2xn8s-1
--U 0.9	n8s1xn12s1_X_n14s-2
--U 0.9	n8s1xn12s1_X_n7s-2xn11s-1
--U 0.9	n8s1xn12s1_X_n12s-2xn14s-2
--U 0.9	n8s1xn12s1_X_n14s-2xn15s2
--U 0.9	n8s1xn12s1_X_n12s2xn14s-2
--U 0.9	n8s1xn12s1_X_n12s-1xn14s-1
--U 0.9	n8s1xn12s1_X_n9s1xn16s-2
--U 0.9	n8s1xn12s1_X_n9s1xn14s-2
--U 0.9	n8s1xn12s1_X_n9s-2xn14s-2
--U 0.9	n8s1xn12s1_X_n7s-1xn8s-1
--U 0.9	n8s1xn12s1_X_n12s-2xn14s-1
--U convergence reached, cycle finalizing...
--U current init conformer index: 11
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 11 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 11 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 0.000106323
--U  (current/previous Chi2) = 0.945/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s1xn16s-2_X_n9s-2
--U 1.0	n7s1xn16s-2_X_n9s-1
--U 1.0	n7s1xn16s-2_X_n8s2
--U 1.0	n7s1xn16s-2_X_n8s-2
--U 1.0	n7s1xn16s-2_X_n8s1
--U 1.0	n7s1xn16s-2_X_n12s2
--U 1.0	n7s1xn16s-2_X_n16s1
--U 1.0	n7s1xn16s-2_X_n8s-1
--U 1.0	n7s1xn16s-2_X_n14s-1
--U 1.0	n7s1xn16s-2_X_n12s1
--U 1.0	n7s1xn16s-2_X_n7s-1
--U 1.0	n7s1xn16s-2_X_n15s1
--U 1.0	n7s1xn16s-2_X_n16s2
--U 1.0	n7s1xn16s-2_X_n13s1
--U 1.0	n7s1xn16s-2_X_n11s1
--U 1.0	n7s1xn16s-2_X_n14s-2
--U UNRESTRAINED STAGE, working on conformer nr. 11 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 11 # conformers: 16
--U level: 2, conformer list expanded to: 320
--U -SCORING: START
--U --SCORING: Processing 320 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 320 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 320 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 320 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.937566
--U  (current/previous Chi2) = 0.886/0.945)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s1xn16s-2_X_n8s2xn11s2
--U 0.9	n7s1xn16s-2_X_n8s2xn11s1
--U 0.9	n7s1xn16s-2_X_n8s2xn16s1
--U 0.9	n7s1xn16s-2_X_n8s-2xn9s-2
--U 0.9	n7s1xn16s-2_X_n8s2xn15s2
--U 0.9	n7s1xn16s-2_X_n8s-1xn9s-2
--U 0.9	n7s1xn16s-2_X_n9s-2xn13s-1
--U 0.9	n7s1xn16s-2_X_n7s-1xn9s-2
--U 0.9	n7s1xn16s-2_X_n8s2xn16s2
--U 0.9	n7s1xn16s-2_X_n9s-2xn14s-1
--U 0.9	n7s1xn16s-2_X_n8s2xn15s1
--U 0.9	n7s1xn16s-2_X_n9s-2xn11s1
--U 0.9	n7s1xn16s-2_X_n8s-2xn9s-1
--U 0.9	n7s1xn16s-2_X_n9s-2xn12s-1
--U 0.9	n7s1xn16s-2_X_n9s-2
--U 0.9	n7s1xn16s-2_X_n8s2xn10s-1
--U convergence reached, cycle finalizing...
--U current init conformer index: 12
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 12 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 12 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 37 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 37 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.18092e-05
--U  (current/previous Chi2) = 0.816/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n11s-1xn14s5_X_n14s2
--U 0.8	n11s-1xn14s5_X_n15s2
--U 0.9	n11s-1xn14s5_X_n15s1
--U 0.9	n11s-1xn14s5_X_n14s1
--U 0.9	n11s-1xn14s5_X_n8s2
--U 0.9	n11s-1xn14s5_X_n7s2
--U 0.9	n11s-1xn14s5_X_n13s2
--U 0.9	n11s-1xn14s5_X_n7s1
--U 0.9	n11s-1xn14s5_X_n10s1
--U 1.0	n11s-1xn14s5_X_n13s1
--U 1.0	n11s-1xn14s5_X_n16s-2
--U 1.0	n11s-1xn14s5_X_n12s-1
--U 1.0	n11s-1xn14s5_X_n8s1
--U 1.0	n11s-1xn14s5_X_n11s-1
--U 1.0	n11s-1xn14s5_X_n16s-1
--U 1.0	n11s-1xn14s5_X_n9s2
--U UNRESTRAINED STAGE, working on conformer nr. 12 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 12 # conformers: 16
--U level: 2, conformer list expanded to: 288
--U -SCORING: START
--U --SCORING: Processing 288 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 288 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 255 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 255 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.958333
--U  (current/previous Chi2) = 0.782/0.816)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n11s-1xn14s5_X_n14s2xn15s1
--U 0.8	n11s-1xn14s5_X_n8s2xn11s-2
--U 0.8	n11s-1xn14s5_X_n15s2xn16s-1
--U 0.8	n11s-1xn14s5_X_n13s1xn14s2
--U 0.8	n11s-1xn14s5_X_n9s2xn14s2
--U 0.8	n11s-1xn14s5_X_n14s1xn15s2
--U 0.8	n11s-1xn14s5_X_n15s2xn16s-2
--U 0.8	n11s-1xn14s5_X_n14s1xn15s1
--U 0.8	n11s-1xn14s5_X_n12s-1xn14s2
--U 0.8	n11s-1xn14s5_X_n8s1xn15s2
--U 0.8	n11s-1xn14s5_X_n12s-1xn15s2
--U 0.8	n11s-1xn14s5_X_n7s1xn14s2
--U 0.8	n11s-1xn14s5_X_n8s2xn13s2
--U 0.8	n11s-1xn14s5_X_n8s1xn14s2
--U 0.8	n11s-1xn14s5_X_n14s2
--U 0.8	n11s-1xn14s5_X_n9s2xn15s2
--U convergence reached, cycle finalizing...
--U current init conformer index: 13
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 13 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 13 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 0.000101373
--U  (current/previous Chi2) = 0.901/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s1xn9s3_X_n8s-2
--U 0.9	n7s1xn9s3_X_n16s-2
--U 1.0	n7s1xn9s3_X_n16s-1
--U 1.0	n7s1xn9s3_X_n8s-1
--U 1.0	n7s1xn9s3_X_n15s2
--U 1.0	n7s1xn9s3_X_n15s1
--U 1.0	n7s1xn9s3_X_n10s-1
--U 1.0	n7s1xn9s3_X_n13s-1
--U 1.0	n7s1xn9s3_X_n9s-1
--U 1.0	n7s1xn9s3_X_n9s-2
--U 1.0	n7s1xn9s3_X_n13s2
--U 1.0	n7s1xn9s3_X_n13s1
--U 1.1	n7s1xn9s3_X_n12s1
--U 1.1	n7s1xn9s3_X_n10s-2
--U 1.1	n7s1xn9s3_X_n13s-2
--U 1.1	n7s1xn9s3_X_n7s-1
--U UNRESTRAINED STAGE, working on conformer nr. 13 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 13 # conformers: 16
--U level: 2, conformer list expanded to: 292
--U -SCORING: START
--U --SCORING: Processing 292 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 292 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 292 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 292 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.954495
--U  (current/previous Chi2) = 0.86/0.901)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s1xn9s3_X_n8s-2xn16s-1
--U 0.9	n7s1xn9s3_X_n15s2xn16s-2
--U 0.9	n7s1xn9s3_X_n9s-2xn16s-2
--U 0.9	n7s1xn9s3_X_n8s-2xn15s1
--U 0.9	n7s1xn9s3_X_n13s1xn16s-2
--U 0.9	n7s1xn9s3_X_n8s-2
--U 0.9	n7s1xn9s3_X_n9s-1xn16s-2
--U 0.9	n7s1xn9s3_X_n13s2xn16s-2
--U 0.9	n7s1xn9s3_X_n10s-2xn11s2
--U 0.9	n7s1xn9s3_X_n8s-2xn11s1
--U 0.9	n7s1xn9s3_X_n8s-2xn15s2
--U 0.9	n7s1xn9s3_X_n8s-1xn16s-1
--U 0.9	n7s1xn9s3_X_n15s1xn16s-2
--U 0.9	n7s1xn9s3_X_n15s2xn16s-1
--U 0.9	n7s1xn9s3_X_n9s-2xn16s-1
--U 0.9	n7s1xn9s3_X_n8s-2xn9s-1
--U convergence reached, cycle finalizing...
--U current init conformer index: 14
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 14 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 14 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.82223e-05
--U  (current/previous Chi2) = 0.873/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n8s-1xn14s-2_X_n7s2
--U 0.9	n8s-1xn14s-2_X_n7s1
--U 1.0	n8s-1xn14s-2_X_n14s1
--U 1.0	n8s-1xn14s-2_X_n14s2
--U 1.0	n8s-1xn14s-2_X_n9s-2
--U 1.0	n8s-1xn14s-2_X_n8s2
--U 1.0	n8s-1xn14s-2_X_n12s-1
--U 1.0	n8s-1xn14s-2_X_n9s-1
--U 1.0	n8s-1xn14s-2_X_n16s1
--U 1.0	n8s-1xn14s-2_X_n12s-2
--U 1.0	n8s-1xn14s-2_X_n15s1
--U 1.0	n8s-1xn14s-2_X_n10s1
--U 1.1	n8s-1xn14s-2_X_n12s2
--U 1.1	n8s-1xn14s-2_X_n8s1
--U 1.1	n8s-1xn14s-2_X_n9s1
--U 1.1	n8s-1xn14s-2_X_n16s2
--U UNRESTRAINED STAGE, working on conformer nr. 14 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 14 # conformers: 16
--U level: 2, conformer list expanded to: 328
--U -SCORING: START
--U --SCORING: Processing 328 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 328 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 328 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 328 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.898053
--U  (current/previous Chi2) = 0.784/0.873)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n8s-1xn14s-2_X_n9s-2xn14s2
--U 0.8	n8s-1xn14s-2_X_n7s2xn12s-2
--U 0.8	n8s-1xn14s-2_X_n7s2xn12s-1
--U 0.8	n8s-1xn14s-2_X_n7s2xn8s-1
--U 0.9	n8s-1xn14s-2_X_n9s-2xn14s1
--U 0.9	n8s-1xn14s-2_X_n9s-1xn14s2
--U 0.9	n8s-1xn14s-2_X_n14s2xn16s-2
--U 0.9	n8s-1xn14s-2_X_n7s2xn9s1
--U 0.9	n8s-1xn14s-2_X_n7s2
--U 0.9	n8s-1xn14s-2_X_n7s2xn15s1
--U 0.9	n8s-1xn14s-2_X_n7s2xn14s1
--U 0.9	n8s-1xn14s-2_X_n8s2xn12s-2
--U 0.9	n8s-1xn14s-2_X_n9s-2xn16s2
--U 0.9	n8s-1xn14s-2_X_n7s2xn10s-1
--U 0.9	n8s-1xn14s-2_X_n14s2xn16s-1
--U 0.9	n8s-1xn14s-2_X_n7s2xn9s-1
--U convergence reached, cycle finalizing...
--U current init conformer index: 15
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 15 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 15 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 9.74347e-05
--U  (current/previous Chi2) = 0.866/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	n7s3xn11s-3_X_n8s2
--U 0.9	n7s3xn11s-3_X_n12s-2
--U 0.9	n7s3xn11s-3_X_n8s1
--U 0.9	n7s3xn11s-3_X_n12s-1
--U 0.9	n7s3xn11s-3_X_n9s-1
--U 0.9	n7s3xn11s-3_X_n16s-2
--U 1.0	n7s3xn11s-3_X_n11s1
--U 1.0	n7s3xn11s-3_X_n13s2
--U 1.0	n7s3xn11s-3_X_n16s-1
--U 1.0	n7s3xn11s-3_X_n11s2
--U 1.0	n7s3xn11s-3_X_n14s2
--U 1.0	n7s3xn11s-3_X_n10s1
--U 1.0	n7s3xn11s-3_X_n14s1
--U 1.0	n7s3xn11s-3_X_n13s-1
--U 1.0	n7s3xn11s-3_X_n7s-1
--U 1.0	n7s3xn11s-3_X_n9s-2
--U UNRESTRAINED STAGE, working on conformer nr. 15 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 15 # conformers: 16
--U level: 2, conformer list expanded to: 308
--U -SCORING: START
--U --SCORING: Processing 308 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 308 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 308 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 308 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.952656
--U  (current/previous Chi2) = 0.825/0.866)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.8	n7s3xn11s-3_X_n8s2xn10s-1
--U 0.8	n7s3xn11s-3_X_n12s-2xn14s1
--U 0.8	n7s3xn11s-3_X_n8s2xn14s1
--U 0.8	n7s3xn11s-3_X_n9s-2xn11s-2
--U 0.8	n7s3xn11s-3_X_n12s-1xn14s2
--U 0.8	n7s3xn11s-3_X_n12s-2xn14s2
--U 0.8	n7s3xn11s-3_X_n14s2xn16s-2
--U 0.8	n7s3xn11s-3_X_n8s2xn14s2
--U 0.9	n7s3xn11s-3_X_n9s-1xn13s2
--U 0.9	n7s3xn11s-3_X_n12s-2xn13s2
--U 0.9	n7s3xn11s-3_X_n12s-1xn14s1
--U 0.9	n7s3xn11s-3_X_n8s2xn12s1
--U 0.9	n7s3xn11s-3_X_n12s-2xn13s1
--U 0.9	n7s3xn11s-3_X_n8s2xn15s-1
--U 0.9	n7s3xn11s-3_X_n8s1xn14s1
--U 0.9	n7s3xn11s-3_X_n8s1xn14s2
--U convergence reached, cycle finalizing...
--U current init conformer index: 16
--U generating conformers...
--U UNRESTRAINED STAGE, working on conformer nr. 16 of a total 40 conformers, level: 1UNRESTRAINED STAGE, level: 1, input Idx 16 # conformers: 40
--U level: 1, conformer list expanded to: 40
--U -SCORING: START
--U --SCORING: Processing 40 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 40 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 40 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 40 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 1
--U current convergence ratio: 0.000100698
--U  (current/previous Chi2) = 0.895/8888)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	na_X_n14s-2
--U 0.9	na_X_n7s2
--U 1.0	na_X_n7s1
--U 1.0	na_X_n14s-1
--U 1.0	na_X_n15s-1
--U 1.0	na_X_n12s1
--U 1.0	na_X_n9s1
--U 1.0	na_X_n15s-2
--U 1.0	na_X_n11s1
--U 1.1	na_X_n12s2
--U 1.1	na_X_n8s2
--U 1.1	na_X_n11s2
--U 1.1	na_X_n13s1
--U 1.1	na_X_n8s1
--U 1.1	na_X_n9s2
--U 1.1	na_X_n12s-2
--U UNRESTRAINED STAGE, working on conformer nr. 16 of a total 16 conformers, level: 2UNRESTRAINED STAGE, level: 2, input Idx 16 # conformers: 16
--U level: 2, conformer list expanded to: 332
--U -SCORING: START
--U --SCORING: Processing 332 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 332 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 332 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 332 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 16 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U stage status, level: 2
--U current convergence ratio: 0.964246
--U  (current/previous Chi2) = 0.863/0.895)
--U List of conformers in current cycle:
--U Chi2	modes
--U 0.9	na_X_n7s2xn8s-1
--U 0.9	na_X_n7s2xn8s-2
--U 0.9	na_X_n7s2xn11s-1
--U 0.9	na_X_n14s-2
--U 0.9	na_X_n7s1xn14s-2
--U 0.9	na_X_n7s2xn12s1
--U 0.9	na_X_n7s2xn12s2
--U 0.9	na_X_n7s2xn14s-1
--U 0.9	na_X_n7s2
--U 0.9	na_X_n8s2xn12s2
--U 0.9	na_X_n12s1xn14s-2
--U 0.9	na_X_n7s2xn16s-1
--U 0.9	na_X_n7s2xn10s1
--U 0.9	na_X_n14s-2xn15s1
--U 0.9	na_X_n7s2xn14s-2
--U 0.9	na_X_n7s2xn9s1
--U convergence reached, cycle finalizing...
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 66 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 5 conformers.
--U --REDUNDANCY: FINISHED
--U -SCORING: START
--U --SCORING: Processing 5 conformers...
--U --SCORING JOBS: FINISHED
--U --TEMP DIRS: DELETING
--U --STRUCTURAL FILTERS PURGING...
--U --STRUCTURAL FILTERS INPUT: 5 conformers.
--U --STRUCTURAL FILTERS OUTPUT: 5 conformers.
--U --STRUCTURAL FILTERS: FINISHED
--U --CONFORMERS: SORTING ACCORDING TO Chi2
--U --REDUNDANCY: START
--U --REDUNDANCY INPUT: 5 conformers.
--U --REDUNDANCY OUTPUT (TOP ONLY): 5 conformers.
--U --REDUNDANCY: FINISHED
--U SCORING: FINISHED
--U OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/uc01.fit
--U OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/uc02.fit
--U OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/uc03.fit
--U OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/uc04.fit
--U OUTPUT: fit file written to HEAT-repeat-kleisin_sreflex/fits/uc05.fit
--U OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/uc01.pdb
--U OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/uc02.pdb
--U OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/uc03.pdb
--U OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/uc04.pdb
--U OUTPUT: model coordinates written to HEAT-repeat-kleisin_sreflex/models/uc05.pdb
--U ++UNRESTRAINED STAGE: FINISHED
--RUNTIME: 32.63 minutes, 8 CPU cores/threads.
--SREFLEX: FINISHED 2017-02-28 15:38:30