# 0 1 1.7452094905710938 # itrj irand chiralcond
# 0 2 1.744817153119431 # itrj irand chiralcond
# 0 3 1.7132852134634409 # itrj irand chiralcond
# 0 4 1.7628154356130994 # itrj irand chiralcond
# 0 5 1.74883561832629 # itrj irand chiralcond
# 0 6 1.7548897726389254 # itrj irand chiralcond
# 0 7 1.733162945797312 # itrj irand chiralcond
# 0 8 1.7587966170550384 # itrj irand chiralcond
# 0 9 1.8079376241328518 # itrj irand chiralcond
# 0 10 1.8094920687428437 # itrj irand chiralcond
0 1.7579241939460328 # pbp Nr=10
# 5 1 1.8127839461066846 # itrj irand chiralcond
# 5 2 1.8477245363474801 # itrj irand chiralcond
# 5 3 1.8636336246089307 # itrj irand chiralcond
# 5 4 1.844268949001634 # itrj irand chiralcond
# 5 5 1.8480520382743 # itrj irand chiralcond
# 5 6 1.8116093121553194 # itrj irand chiralcond
# 5 7 1.8162187426380214 # itrj irand chiralcond
# 5 8 1.8265317862670016 # itrj irand chiralcond
# 5 9 1.8502615703730956 # itrj irand chiralcond
# 5 10 1.9164061289604213 # itrj irand chiralcond
5 1.843749063473289 # pbp Nr=10
