NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
474936 2kwg 16852 cing 1-original 4 AMBER distance NOE simple


#
#nonexchangable noesy
#
#
#  1 FG5  H1'     1 FG5  H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, 
      rk2=35.0, rk3=35.0, ir6=1, ialtd=0,
 &end
#
#  1 FG5  H1'     2 MG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  46, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 FG5  H2'     1 FG5  H1'   1.8     3.6    (#strong )
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  10, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 FG5  H2'     1 FG5  H8    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 FG5  H2'     2 MG   H8    1.8     3.6    (#strong    )
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  46, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 FG5  H3'     1 FG5  H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 FG5  H3'     1 FG5  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 MG   CM2     2 MG   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=  66,  67,  68,
 &end
#
#  2 MG   CM2     3 FG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=  66,  67,  68,
 &end
#
#  2 MG   CM2     3 FG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=  66,  67,  68,
 &end
#
#  2 MG   H1'     2 MG   H8    2.6     5.0    (#medium         )
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  46, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 MG   H1'     3 FG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  83, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 FG   H1'     3 FG   H8    2.6     5.0    (#medium       )
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  83, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 FG   H1'     4 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 116, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 FG   H2'     3 FG   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  80, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 FG   H2'     4 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 116, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 MU   CM2    37 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 132, 133, 134,
 &end
#
#  4 MU   CM2     4 MU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 132, 133, 134,
 &end
#
#  4 MU   CM2     5 FA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 146, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 132, 133, 134,
 &end
#
#  4 MU   CM2     5 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 132, 133, 134,
 &end
#
#  4 MU   H1'     4 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 116, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 MU   H1'     5 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 149, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 FA   H1'    37 FA   H2    1.8     3.6    (#strong   )
 &rst
  ixpk= 0, nxpk= 0, iat= 146,1204, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 FA   H1'     5 FA   H8    2.6     5.0    (#medium           )
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 149, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 FA   H1'     6 MA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 181, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 FA   H2     37 FA   H2    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 158,1204, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 FA   H2'     5 FA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 146, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 FA   H2'     5 FA   H8    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 149, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  5 FA   H2'     6 MA   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 FA   H3'     5 FA   H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 146, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 FA   H3'     5 FA   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 149, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 MA   CM2     5 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 200, 201, 202,
 &end
#
#  6 MA   CM2     6 MA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 200, 201, 202,
 &end
#
#  6 MA   CM2     6 MA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 200, 201, 202,
 &end
#
#  6 MA   CM2     6 MA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 200, 201, 202,
 &end
#
#  6 MA   CM2     7 FA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 214, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 200, 201, 202,
 &end
#
#  6 MA   CM2     7 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 200, 201, 202,
 &end
#
#  6 MA   H1'     5 FA   H2    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 158, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 MA   H1'     6 MA   H2    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 190, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  6 MA   H1'     6 MA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 181, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 MA   H1'     7 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 217, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 MA   H2      7 FA   H2    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 226, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  7 FA   H1'     6 MA   H2    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 190, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 FA   H1'     7 FA   H2    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 226, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 FA   H1'     7 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 217, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 FA   H1'     8 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 249, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 FA   H2'     7 FA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 214, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 MU   CM2     7 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 265, 266, 267,
 &end
#
#  8 MU   CM2     8 MU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 265, 266, 267,
 &end
#
#  8 MU   CM2     9 FA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 265, 266, 267,
 &end
#
#  8 MU   CM2     9 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 265, 266, 267,
 &end
#
#  8 MU   H1'     7 FA   H2    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 226, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 MU   H1'     8 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 249, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 MU   H1'     9 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 282, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  9 FA   H1'    10 MC   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 314, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  9 FA   H1'    33 FA   H2    1.8     3.6    (#strong   )
 &rst
  ixpk= 0, nxpk= 0, iat= 279,1077, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 FA   H1'     9 FA   H8    2.6     5.0    (#medium          )
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 282, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  9 FA   H2'     9 FA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 279, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 FA   H2'     9 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 282, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  9 FA   H3'     9 FA   H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 279, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  9 FA   H3'     9 FA   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 282, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 MC   CM2    10 MC   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 331, 332, 333,
 &end
#
# 10 MC   CM2    11 FA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 331, 332, 333,
 &end
#
# 10 MC   CM2    11 FA   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 331, 332, 333,
 &end
#
# 10 MC   CM2     9 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 331, 332, 333,
 &end
#
# 10 MC   H1'    10 MC   H6    2.6     5.0    (#medium   )
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 314, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10 MC   H1'    11 FA   H8    2.6     5.0    (#medium   )
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 348, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10 MC   H1'     9 FA   H2    1.8     3.6    (#strong     )
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 291, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 MC   H5      9 FA   H8    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 282, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 FA   H1'    11 FA   H2    3.5     6.5    (#weak   )
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 357, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11 FA   H1'    11 FA   H8    2.6     5.0    (#medium           )
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 348, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 FA   H1'    12 MU   H6    2.6     5.0    (#medium   )
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 380, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 FA   H2'    11 FA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 345, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 FA   H2'    11 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 348, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 FA   H3'    11 FA   H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 345, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 FA   H3'    11 FA   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 348, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 MU   CM2    11 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 396, 397, 398,
 &end
#
# 12 MU   CM2    12 MU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 396, 397, 398,
 &end
#
# 12 MU   CM2    13 FU   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 396, 397, 398,
 &end
#
# 12 MU   CM2    13 FU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 396, 397, 398,
 &end
#
# 12 MU   CM2    13 FU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 396, 397, 398,
 &end
#
# 12 MU   H1'    11 FA   H2    1.8     3.6    (#strong   )
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 357, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 MU   H1'    12 MU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 380, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 MU   H1'    13 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 413, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 MU   H5     11 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 348, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 FU   H1'    13 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 413, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 FU   H1'    14 MC   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 442, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 FU   H1'    29 FA   H2    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 946, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 FU   H2'    13 FU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 410, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 FU   H2'    13 FU   H6    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 413, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 FU   H2'    14 MC   H6    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 442, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 MC   CM2    14 MC   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 459, 460, 461,
 &end
#
# 14 MC   CM2    15 FU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 459, 460, 461,
 &end
#
# 14 MC   CM2    15 FU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 459, 460, 461,
 &end
#
# 14 MC   H1'    14 MC   H6    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 442, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14 MC   H1'    15 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 476, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14 MC   H1'    28 MA   H2    1.8     3.6    (#strong            )
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 910, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 FU   H1'    15 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 476, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 FU   H1'    16 MU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 505, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 FU   H2'    15 FU   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 473, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 FU   H2'    16 MU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 507, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 FU   H5     14 MC   H6    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 442, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 16 MU   CM2    16 MU   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 521, 522, 523,
 &end
#
# 16 MU   CM2    17 FC   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 538, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 521, 522, 523,
 &end
#
# 16 MU   H1'    16 MU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 505, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 MU   H1'    17 FC   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 538, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 MU   H1'    26 MA   H2    1.8     3.6    (#strong   )
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 841, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 MU   H5     15 FU   H6    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 476, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 17 FC   H1'    17 FC   H6    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 538, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 FC   H1'    18 MA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 568, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 FC   H1'    25 FA   H2    1.8     3.6    (#strong    )
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 809, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 FC   H2'    17 FC   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 535, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 MA   CM2    18 MA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 587, 588, 589,
 &end
#
# 18 MA   CM2    18 MA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 587, 588, 589,
 &end
#
# 18 MA   CM2    18 MA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 587, 588, 589,
 &end
#
# 18 MA   CM2    19 FU   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 601, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 587, 588, 589,
 &end
#
# 18 MA   CM2    19 FU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 587, 588, 589,
 &end
#
# 18 MA   H1'    18 MA   H2    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 577, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 18 MA   H1'    18 MA   H8    2.6     5.0    (#medium         )
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 568, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 MA   H1'    19 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 604, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 MA   H2     24 MG   CM2   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2= 783, 784, 785,
 &end
#
# 19 FU   H1'    18 MA   H2    1.8     3.6    (#strong   )
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 577, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 FU   H1'    19 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 604, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 FU   H1'    20 MU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 633, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 FU   H2'    19 FU   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 601, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 FU   H2'    19 FU   H6    2.6     5.0    (#medium   )
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 604, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 FU   H2'    20 MU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 635, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 FU   H2'    20 MU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 633, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 FU   H5     20 MU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 635, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 MU   CM2    20 MU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 649, 650, 651,
 &end
#
# 20 MU   CM2    20 MU   H6    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 633, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 649, 650, 651,
 &end
#
# 20 MU   CM2    21 FU3  H1'   3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1= 649, 650, 651,
 &end
#
# 20 MU   CM2    21 FU3  H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 649, 650, 651,
 &end
#
# 20 MU   CM2    22 MA5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 649, 650, 651,
 &end
#
# 20 MU   CM2    22 MA5  H2    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 649, 650, 651,
 &end
#
# 20 MU   H1'    20 MU   H6    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 633, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 MU   H1'    21 FU3  H6    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 666, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 MU   H1'    22 MA5  H2    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 705, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 MU   H5     19 FU   H6    3.5     6.5    (#weak    )
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 604, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 21 FU3  H1'    21 FU3  H6    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 666, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 FU3  H2'    21 FU3  H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 663, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 FU3  H2'    21 FU3  H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 666, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 MA5  CM2    22 MA5  H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 715, 716, 717,
 &end
#
# 22 MA5  CM2    22 MA5  H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 696, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 715, 716, 717,
 &end
#
# 22 MA5  CM2    23 FU   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 715, 716, 717,
 &end
#
# 22 MA5  H1'    22 MA5  H2    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 705, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 MA5  H1'    22 MA5  H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 696, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,  &end
#
# 22 MA5  H1'    23 FU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 734, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 MA5  H2'    22 MA5  H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 693, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 MA5  H2'    22 MA5  H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 696, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 MA5  H2'    23 FU   H6    1.8     3.6    (#strong )
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 MA   CM2    22 MA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 705, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 715, 716, 717,
 &end
#
# 22 MA   CM2    23 FU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 715, 716, 717,
 &end
#
# 23 FU   H1'    22 MA5  H2    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 705, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 23 FU   H1'    23 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 734, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 FU   H1'    24 MG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 763, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 FU   H2'    23 FU   H1'   1.8     3.6    (#strong )
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 731, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 23 FU   H2'    23 FU   H6    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 734, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 23 FU   H2'    24 MG   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 763, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 23 FU   H3'    23 FU   H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 731, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 FU   H5     22 MA5  H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 696, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 FU   H6     22 MA5  H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 696, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 24 MG   CM2    24 MG   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 783, 784, 785,
 &end
#
# 24 MG   CM2    25 FA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 797, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 783, 784, 785,
 &end
#
# 24 MG   H1'    18 MA   H2    1.8     3.6    (#strong    )
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 577, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 MG   H1'    24 MG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 763, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 24 MG   H1'    25 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 800, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 25 FA   H1'    25 FA   H2    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 809, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 25 FA   H1'    25 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 800, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 25 FA   H1'    26 MA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 832, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 25 FA   H2     16 MU   CM2   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 809,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2= 521, 522, 523,
 &end
#
# 25 FA   H2'    25 FA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 815, 797, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 25 FA   H2     26 MA   CM2   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 809,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2= 851, 852, 853,
 &end
#
# 25 FA   H2     26 MA   H2    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 841, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 25 FA   H3'    25 FA   H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 797, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 MA   CM2    26 MA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 851, 852, 853,
 &end
#
# 26 MA   CM2    27 FG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 851, 852, 853,
 &end
#
# 26 MA   H1'    25 FA   H2    1.8     3.6    (#strong   )
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 809, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 MA   H1'    26 MA   H2    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 841, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 26 MA   H1'    26 MA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 832, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 MA   H1'    27 FG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 868, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 MA   H2     16 MU   CM2   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2= 521, 522, 523,
 &end
#
# 26 MA   H2     26 MA   CM2   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2= 851, 852, 853,
 &end
#
# 27 FG   H1'    27 FG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 868, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 27 FG   H1'    28 MA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 901, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 27 FG   H2'    27 FG   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 865, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 FG   H2'    27 FG   H8    3.5     6.5    (#weak   )
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 868, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 27 FG   H3'    27 FG   H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 865, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 27 FG   H3'    27 FG   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 868, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 MA   CM2    28 MA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 920, 921, 922,
 &end
#
# 28 MA   CM2    28 MA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 910, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 920, 921, 922,
 &end
#
# 28 MA   CM2    29 FA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 934, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 920, 921, 922,
 &end
#
# 28 MA   CM2    29 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 920, 921, 922,
 &end
#
# 28 MA   H1'    28 MA   H2    3.5     6.5    (#weak           )
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 910, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 28 MA   H1'    28 MA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 901, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 28 MA   H1'    29 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 937, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 29 FA   H1'    28 MA   H2    1.8     3.6    (#strong          )
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 910, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 FA   H1'    29 FA   H2    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 946, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 29 FA   H1'    29 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 937, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 29 FA   H1'    30 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 969, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 29 FA   H2'    29 FA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 934, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 FA   H2'    30 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 969, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 MU   CM2    29 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 946, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 985, 986, 987,
 &end
#
# 30 MU   CM2    30 MU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 985, 986, 987,
 &end
#
# 30 MU   CM2    31 FG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 999, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 985, 986, 987,
 &end
#
# 30 MU   CM2    31 FG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 985, 986, 987,
 &end
#
# 30 MU   H1'    29 FA   H2    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 946, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 30 MU   H1'    30 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 969, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 MU   H1'    31 FG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 966,1002, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 31 FG   H1'    11 FA   H2    1.8     3.6    (#strong   )
 &rst
  ixpk= 0, nxpk= 0, iat= 999, 357, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 FG   H1'    31 FG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1002, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 31 FG   H1'    32 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1035, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 31 FG   H2'    31 FG   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1018, 999, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 FG   H2'    32 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1035, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 32 MU   CM2    32 MU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1051,1052,1053,
 &end
#
# 32 MU   CM2    33 FA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1065, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1051,1052,1053,
 &end
#
# 32 MU   CM2    33 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1051,1052,1053,
 &end
#
# 32 MU   CM2     9 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1051,1052,1053,
 &end
#
# 32 MU   H1'    32 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1035, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 32 MU   H1'    33 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1068, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 33 FA   H1'    33 FA   H8    2.6     5.0    (#medium         )
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1068, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 33 FA   H1'    34 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1100, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 33 FA   H1'     9 FA   H2    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1065, 291, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 FA   H2'    33 FA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1065, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 FA   H2      7 FA   H2    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat=1077, 226, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 33 FA   H3'    33 FA   H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1065, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 33 FA   H3'    33 FA   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1068, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 MU   CM2    33 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1116,1117,1118,
 &end
#
# 34 MU   CM2    34 MU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1116,1117,1118,
 &end
#
# 34 MU   CM2    35 FU   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1116,1117,1118,
 &end
#
# 34 MU   CM2    35 FU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1116,1117,1118,
 &end
#
# 34 MU   H1'    33 FA   H2    1.8     3.6    (#strong )
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1077, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 MU   H1'    34 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1100, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 MU   H1'    35 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1133, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 35 FU   H1'    36 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1162, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 35 FU   H1'     7 FA   H2    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1130, 226, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 FU   H2'    35 FU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1130, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 FU   H2'    35 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1133, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 MU   CM2    36 MU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1178,1179,1180,
 &end
#
# 36 MU   CM2    37 FA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1192, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1178,1179,1180,
 &end
#
# 36 MU   CM2    37 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1178,1179,1180,
 &end
#
# 36 MU   CM2     6 MA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1178,1179,1180,
 &end
#
# 36 MU   H1'    36 MU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1162, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 MU   H1'    37 FA   H8    2.6     5.0    (#medium          )
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1195, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 MU   H1'     6 MA   H2    1.8     3.6    (#strong   )
 &rst
  ixpk= 0, nxpk= 0, iat=1159, 190, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 FA   H1'    37 FA   H8    2.6     5.0    (#medium      )
 &rst
  ixpk= 0, nxpk= 0, iat=1192,1195, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 FA   H1'    38 MC   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1192,1227, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 FA   H2'    37 FA   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1192, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 FA   H2'    37 FA   H8    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1195, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 37 FA   H3'    37 FA   H1'   2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1192, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 FA   H3'    37 FA   H8    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1195, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 MC   CM2    37 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1204, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1244,1245,1246,
 &end
#
# 38 MC   CM2    38 MC   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1244,1245,1246,
 &end
#
# 38 MC   CM2    38 MC   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1227, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1244,1245,1246,
 &end
#
# 38 MC   CM2    39 FC   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1244,1245,1246,
 &end
#
# 38 MC   CM2    39 FC   H5    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1263, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1=1244,1245,1246,
 &end
#
# 38 MC   H1'    37 FA   H2    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1204, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 38 MC   H1'    38 MC   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1227, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 38 MC   H5     37 FA   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1195, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 39 FC   H1'    39 FC   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1261, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 39 FC   H1'    40 MC   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1291, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 39 FC   H2'    39 FC   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1258, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 39 FC   H2'    40 MC   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1293, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 40 MC   CM2    40 MC   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1308,1309,1310,
 &end
#
# 40 MC   CM2    40 MC   H6    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1308,1309,1310,
 &end
#
# 40 MC   CM2    41 FU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1308,1309,1310,
 &end
#
# 40 MC   H1'    40 MC   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1288,1291, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 40 MC   H1'    41 FU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1288,1325, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 41 FU   H1'    41 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1325, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 41 FU   H1'    42 MU3  H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1354, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 41 FU   H2'    41 FU   H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1322, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 41 FU   H2'    41 FU   H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1325, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 41 FU   H2'    42 MU3  H6    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1354, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 42 MU3  CM2    41 FU   H5    3.5     6.5    (#weak  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1=1370,1371,1372,
 &end
#
# 42 MU3  CM2    42 MU3  H1'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1370,1371,1372,
 &end
#
# 42 MU3  CM2    42 MU3  H6    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1354, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1370,1371,1372,
 &end
#
# 42 MU3  H1'    42 MU3  H6    1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1354, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 41 FU   H6     42 MU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1354, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, 
 &end
#
# 40 MC   H5     41 FU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1293,1327, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 38 MC   H5     39 FC   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1263, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 FU   H5     16 MU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 507, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14 MC   H5     15 FU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 478, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 MU   H5     13 FU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 415, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 MU   H5     35 FU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1135, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 FU   H2'    14 MC   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 444, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 FG5  H2'     2 MG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  43, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 41 FU   H2'    41 FU   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1327, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 FG5  H8      2 MG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  46, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 MA   H8     19 FU   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 604, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 FC   H6     18 MA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 568, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 MU   H6      5 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 149, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 FA   H8      6 MA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 181, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10 MC   H6     11 FA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 348, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14 MC   CM2    28 MA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 910, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1= 459, 460, 461,
 &end
#
# 37 FA   H8     38 MC   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1227, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 40 MC   CM2    41 FU   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1322, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr1=1308,1309,1310,
 &end
#
# 11 FA   H2     29 FA   H2    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 946, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, 
 &end
#
# 28 MA   H2     29 FA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 946, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 FU   H6     20 MU   H6    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 633, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  2 MG   H8      3 FG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  83, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 18 MA   H2     22 MA5  H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 705, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 31 FG   H2'    32 MU   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1032, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 FG   H2'     4 MU   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 113, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 FU   H2'    24 MG   H1'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 760, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 17 FC   H2'    18 MA   H1'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 565, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 33 FA   H1'    34 MU   H5    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1102, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11 FA   H1'    12 MU   H5    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 382, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  9 FA   H1'    10 MC   H5    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 316, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 39 FC   H1'    40 MC   H5    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1293, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 22 MA5  H1'    23 FU   H5    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 736, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 31 FG   H1'    32 MU   H5    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1037, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
###############################################################################
#WC
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