* LIGAND DATABASE FILE (OPLS2005)
*
001     107   109    208    326     624
    1     0 S   NP   _N1_     1    28.93019    95.01200   -17.97833
    2     1 S   H    _HN1     2     1.02955    93.54047     3.37446
    3     1 S   H    _H1_     3     1.02843    48.31851   113.25093
    4     1 S   H    _H2_     4     1.02786    68.70676  -104.85785
    5     1 S   CT   _CA1     5     1.50083   153.25897   157.86634
    6     5 S   HC   _HA1     6     1.09562   105.34597    25.28229
    7     5 S   CO3  _C1_     7     1.53897   112.10866   -95.21488
    8     7 S   O2Z  _O11     8     1.26378   115.05747   -49.76039
    9     7 S   O2Z  _O12     9     1.26218   114.92626   129.38086
   10     5 S   CT   _CB1    10     1.53083   107.45193   143.35673
   11    10 S   HC   HB11    11     1.09821   109.80809   -48.82517
   12    10 S   HC   HB12    12     1.09826   110.18623    67.76814
   13    10 S   CT   _CG1    13     1.53036   112.54072  -169.81785
   14    13 S   HC   HG11    14     1.09612   110.43442   -54.87503
   15    13 S   HC   HG12    15     1.09608   110.16955    64.37190
   16    13 S   C    _CD1    16     1.51770   112.00892  -174.95267
   17    16 S   O    _OE1    17     1.22732   123.20792    -8.27232
   18    16 S   N    _N2_    18     1.38604   111.66793   171.15962
   19    18 S   H    _HN2    19     1.01571   119.14256     4.46028
   20    18 S   CT1  _CA2    20     1.46342   123.23391  -172.53457
   21    20 S   HC   _HA2    21     1.09723   109.44030   -10.70261
   22    20 S   C    _C2_    22     1.53300   108.57040  -126.83627
   23    22 S   O    _O2_    23     1.23005   122.25119  -145.23753
   24    20 S   CT   _CB2    32     1.53775   110.93221   110.91011
   25    24 S   HC   HB21    33     1.09346   108.52234    58.90988
   26    24 S   HC   HB22    34     1.09434   110.30283   177.79771
   27    22 S   N    _N3_    24     1.38517   113.34063    42.03473
   28    27 S   H    _HN3    25     1.01527   118.89110    -0.55214
   29    24 S   S    _SG2    35     1.82972   110.84378   -61.45416
   30    27 S   CT   _CA3    26     1.45442   123.43699   175.23268
   31    30 S   HC   HA31    27     1.09523   109.25692    24.26686
   32    30 S   HC   HA32    28     1.09497   107.12572   141.25347
   33    29 S   CT   _C10    36     1.88352   102.98397   176.71354
   34    30 S   CO3  _C3_    29     1.52913   113.06556   -99.23045
   35    34 S   O2Z  _O31    30     1.26405   115.36712   -46.02338
   36    34 S   O2Z  _O32    31     1.26350   115.01366   134.92462
   37    33 S   CT   _C9_    37     1.55304   111.90884   -51.02084
   38    37 S   HC   _H13    38     1.09862   109.37586   174.31049
   39    37 S   HC   _H14    39     1.09604   111.54921    59.99400
   40    33 S   CM   _C11    87     1.53410   106.01376    67.16627
   41    40 S   HC   _H15    88     1.09360   113.41000  -105.58834
   42    37 S   CT   _C8_    40     1.53089   114.86948   -64.47090
   43    42 S   HC   _H11    41     1.09453   108.89440    68.74040
   44    42 S   HC   _H12    42     1.09484   107.23305  -176.39098
   45    40 S   CMA  _C12    89     1.35846   130.84648    73.75340
   46    45 S   OM   _O33    90     1.26824   123.19278   179.71538
   47    42 S   CT   _C7_    43     1.54585   112.98342   -54.67591
   48    47 S   HC   _H5_    44     1.09911   106.80108   -62.03635
   49    45 S   OS   _O34    91     1.41023   111.96431    -0.78808
   50    47 S   CT   _C6_    45     1.54103   108.92159    53.72043
   51    50 S   HC   _H4_    46     1.09659   108.38017    62.48145
   52    49 S   CT   _C13    92     1.43102   116.74555  -177.81995
   53    52 S   HC   _H16    93     1.09651   109.36233    65.32600
   54    52 S   HC   _H17    94     1.09506   110.96050   -55.10073
   55    50 S   CO4  _C24    47     1.52505   112.55758   175.77413
   56    55 S   O    _O35    48     1.23369   121.77961   144.19714
   57    33 S   CT   _C5_    81     1.57792   107.16979  -168.65443
   58    57 S   HC   _H3_    82     1.09614   109.09574   -50.58330
   59    52 S   CT   _C14    95     1.52443   107.74496  -176.55326
   60    59 S   HC   _H18    96     1.09566   109.51612   -55.15830
   61    59 S   HC   _H19    97     1.09454   112.40900  -177.31445
   62    55 S   CT   _C23    49     1.52262   117.06068   -43.50835
   63    62 S   HC   _H7_    50     1.09303   107.06474   -75.02550
   64    57 S   CT   _C4_    83     1.54814   111.81447  -167.64892
   65    64 S   HC   _H8_    84     1.09272   112.72934   -58.15483
   66    64 S   HC   _H9_    85     1.09314   111.95997  -178.93064
   67    64 S   HC   _H10    86     1.09373   111.31517    62.60743
   68    59 S   NP   _N4_    98     1.51932   110.54538    62.03867
   69    68 S   H    _H20    99     1.02953   106.68875   -41.55747
   70    62 S   CT   _C22    51     1.54539   111.93305    48.22745
   71    70 S   HC   _H6_    52     1.10354   104.88135    56.74012
   72    62 S   OH   _O36    79     1.41966   105.93734   169.66852
   73    72 S   HO   _H33    80     0.97302   107.48623    60.47463
   74    68 S   CT   _C15   100     1.50324   113.52606    75.91756
   75    74 S   HC   _H21   101     1.09314   108.61804    60.86824
   76    74 S   HC   _H22   102     1.09344   108.05630  -178.79439
   77    74 S   HC   _H23   103     1.09154   108.73588   -60.22877
   78    68 S   CT   _C16   104     1.50421   111.67454  -157.29265
   79    78 S   HC   _H24   105     1.09319   108.51771   -61.93678
   80    78 S   HC   _H25   106     1.09326   108.11745    58.71353
   81    78 S   HC   _H26   107     1.09315   108.20593   177.47253
   82    70 S   CT   _C21    53     1.58693   116.54115   170.30140
   83    82 S   CT   _C20    54     1.55470   108.80597  -178.58183
   84    83 S   HC   _H31    55     1.09804   110.70169  -175.78142
   85    83 S   HC   _H32    56     1.09900   109.24951    67.95259
   86    82 S   CO4  _C26    68     1.54150   115.36197    58.62934
   87    86 S   O    _O37    69     1.22597   124.34803   125.78820
   88    82 S   CT   _C25    75     1.55059   112.40068   -62.65995
   89    88 S   HC   _H34    76     1.09545   111.34365   -46.39416
   90    88 S   HC   _H35    77     1.09747   110.82275  -165.95711
   91    88 S   HC   _H36    78     1.09362   113.04976    75.95338
   92    83 S   CT   _C19    57     1.51982   113.92025   -53.21600
   93    92 S   HC   _H29    58     1.09679   108.98575   177.42048
   94    92 S   HC   _H30    59     1.09444   111.05558   -66.16610
   95    86 S   OS   _O38    70     1.36224   111.41027   -56.74714
   96    92 S   CT   _C18    60     1.51861   111.19014    57.23598
   97    96 S   HC   _H27    61     1.09828   108.15990    66.04325
   98    96 S   HC   _H28    62     1.09624   107.61704  -179.45679
   99    95 S   CT   _C27    71     1.43085   115.66752  -179.40258
  100    99 S   HC   _H37    72     1.09319   108.07939  -172.56824
  101    99 S   HC   _H38    73     1.09391   109.87804    68.87351
  102    99 S   HC   _H39    74     1.09410   110.74087   -53.65787
  103    47 S   CT   _C17    63     1.58510   113.94204  -178.29452
  104   103 S   CT   _C28    64     1.54781   110.64186   -58.27952
  105   104 S   HC   _H40    65     1.09269   112.60416   -56.75683
  106   104 S   HC   _H41    66     1.09077   112.52116  -177.92614
  107   104 S   HC   _H42    67     1.09503   111.42707    63.61161
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  21   2   1   1  15   7   6  10   4  12   5   4   7   2  21   8
   7  16   7   9   5   4  12   5   7   4  12   5   4  12   6   3
   2   1   1   9   8  23   8   3   1   7   3   2   1   3   2   1
   1  17  16   7   6  12   3   6   2   1   1   7   5   4   4   7
   3   2   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    57    58    64    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    50    51    55    57    58    64    65    66    67    40    41    45    46    49  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    50   103    57    58    64    40    41    45  
   39    42    43    44    47    57    40  
   42    43    44    47    57    40  
   41    45    46    49    52    42    50    57    58    64  
   45    46    49    57  
   43    44    47    48    50    51    55    70    96   103   104    57  
   44    47    48    50   103  
   47    48    50   103  
   46    49    52    53    54    59    57  
   49    52  
   48    50    51    55    56    62    70    71    82    92    96    97    98   103   104   105   106   107    57    58    64  
   50    51    55    70    96   103   104    57  
   52    53    54    59    60    61    68  
   51    55    56    62    63    70    96   103   104    72    57    58    64    65    66    67  
   55    56    62   103    57    58    64  
   53    54    59    60    61    68    69    74    78  
   54    59    60    61    68  
   59    60    61    68  
   56    62    63    70    71    82   103    72    73    57    58    64  
   62    63    70    72    57  
   58    64    65    66    67    62   103  
   64    65    66    67  
   60    61    68    69    74    75    76    77    78    79    80    81  
   61    68    69    74    78  
   68    69    74    78  
   63    70    71    82    83    96   103   104    86    88    72    73  
   70    71    82   103    72    73  
   65    66    67  
   66    67  
   67  
    0  
   69    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   71    82    83    84    85    92    96    97    98   103   104   105   106   107    86    87    95    88    89    90    91    72    73  
   82    83    96   103   104    86    88    72  
   73    82   103  
    0  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    92    93    94    96   103   104    86    87    95    99    88    89    90    91  
   84    85    92    93    94    96    97    98   103    86    87    95    88    89    90    91  
   85    92    93    94    96    86    88  
   92    93    94    96    86    88  
   87    95    99   100   101   102    88    89    90    91    92   103  
   95    99    88  
   89    90    91    92    95   103  
   90    91  
   91  
    0  
   93    94    96    97    98   103   104  
   94    96    97    98   103  
   96    97    98   103  
   99   100   101   102  
   97    98   103   104   105   106   107  
   98   103   104  
  103   104  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   47   103   268.000  1.529
   50    51   340.000  1.090
   50    55   317.000  1.522
   50    57   268.000  1.529
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    70   268.000  1.529
   62    72   320.000  1.410
   70    71   340.000  1.090
   70    82   268.000  1.529
   70   103   268.000  1.529
   82    83   268.000  1.529
   82    86   317.000  1.522
   82    88   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96   103   268.000  1.529
  103   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   86    87   570.000  1.229
   86    95   214.000  1.327
   95    99   320.000  1.410
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   72    73   553.000  0.945
   57    58   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.080
   40    45   465.000  1.376
   45    46   745.000  1.250
   45    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   367.000  1.471
   68    69   434.000  1.010
   68    74   367.000  1.471
   68    78   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    57    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    57    50    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    64    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    47   103    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    55    63.00000  111.10000
   47    50    57    58.35000  112.70000
   47   103    70    58.35000  112.70000
   47   103    96    58.35000  112.70000
   47   103   104    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    55    56    80.00000  120.40000
   50    55    62    70.00000  116.00000
   50    57    58    37.50000  110.70000
   50    57    64    58.35000  112.70000
   55    50    51    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    70    63.00000  111.10000
   55    62    72    90.00000  109.61100
   62    55    56    80.00000  120.40000
   62    70    71    37.50000  110.70000
   62    70    82    58.35000  112.70000
   62    70   103    58.35000  112.70000
   62    72    73    55.00000  108.50000
   70    62    63    37.50000  110.70000
   70    82    83    58.35000  112.70000
   70    82    86    63.00000  111.10000
   70    82    88    58.35000  112.70000
   70   103    96    58.35000  112.70000
   70   103   104    58.35000  112.70000
   82    70    71    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    85    37.50000  110.70000
   82    83    92    58.35000  112.70000
   82    86    87    80.00000  120.40000
   82    86    95    81.00000  111.40000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   83    92    93    37.50000  110.70000
   83    92    94    37.50000  110.70000
   83    92    96    58.35000  112.70000
   85    83    84    33.00000  107.80000
   92    83    84    37.50000  110.70000
   92    83    85    37.50000  110.70000
   92    96    97    37.50000  110.70000
   92    96    98    37.50000  110.70000
   92    96   103    58.35000  112.70000
   94    92    93    33.00000  107.80000
   96    92    93    37.50000  110.70000
   96    92    94    37.50000  110.70000
   96   103   104    58.35000  112.70000
   98    96    97    33.00000  107.80000
  103    47    48    37.50000  110.70000
  103    47    50    58.35000  112.70000
  103    70    71    37.50000  110.70000
  103    70    82    58.35000  112.70000
  103    96    97    37.50000  110.70000
  103    96    98    37.50000  110.70000
  103   104   105    37.50000  110.70000
  103   104   106    37.50000  110.70000
  103   104   107    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   86    82    83    63.00000  111.10000
   86    95    99    83.00000  116.90000
   95    86    87    83.00000  123.40000
   95    99   100    35.00000  109.50000
   95    99   101    35.00000  109.50000
   95    99   102    35.00000  109.50000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   88    82    83    58.35000  112.70000
   88    82    86    63.00000  111.10000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   72    62    63    35.00000  109.50000
   72    62    70    50.00000  109.50000
   57    33    37    58.35000  112.70000
   57    50    51    37.50000  110.70000
   57    50    55    63.00000  111.10000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   64    57    58    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    33    37    70.00000  112.02700
   40    33    57    70.00000  112.02700
   40    45    46    65.00000  137.10300
   40    45    49    80.00000  120.01400
   45    40    41    40.00000  120.50800
   45    49    52    90.00000  111.18400
   49    45    46    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    59    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    68    80.00000  111.20000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    68    69    35.00000  109.50000
   59    68    74    75.00000  113.01200
   59    68    78    75.00000  113.01200
   61    59    60    33.00000  107.80000
   68    59    60    35.00000  109.50000
   68    59    61    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   68    78    79    35.00000  109.50000
   68    78    80    35.00000  109.50000
   68    78    81    35.00000  109.50000
   74    68    69    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    68    69    35.00000  109.50000
   78    68    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
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   49    52    59    60   0.23400  1.0 3.0
   49    52    59    61   0.23400  1.0 3.0
   49    52    59    68   1.69300  1.0 1.0
   49    52    59    68  -0.48450 -1.0 2.0
   52    59    68    69   0.17350  1.0 3.0
   52    59    68    74   0.47100  1.0 1.0
   52    59    68    78   0.47100  1.0 1.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    68   0.19200  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    68   0.19200  1.0 3.0
   59    68    74    75   0.15000  1.0 3.0
   59    68    74    76   0.15000  1.0 3.0
   59    68    74    77   0.15000  1.0 3.0
   59    68    78    79   0.15000  1.0 3.0
   59    68    78    80   0.15000  1.0 3.0
   59    68    78    81   0.15000  1.0 3.0
   60    59    68    69   0.13050  1.0 3.0
   60    59    68    74   0.15000  1.0 3.0
   60    59    68    78   0.15000  1.0 3.0
   61    59    68    69   0.13050  1.0 3.0
   61    59    68    74   0.15000  1.0 3.0
   61    59    68    78   0.15000  1.0 3.0
   69    68    74    75   0.13050  1.0 3.0
   69    68    74    76   0.13050  1.0 3.0
   69    68    74    77   0.13050  1.0 3.0
   69    68    78    79   0.13050  1.0 3.0
   69    68    78    80   0.13050  1.0 3.0
   69    68    78    81   0.13050  1.0 3.0
   74    68    78    79   0.15000  1.0 3.0
   74    68    78    80   0.15000  1.0 3.0
   74    68    78    81   0.15000  1.0 3.0
   78    68    74    75   0.15000  1.0 3.0
   78    68    74    76   0.15000  1.0 3.0
   78    68    74    77   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   50    62    55    56  10.50000 -1.0 2.0
   82    95    86    87  10.50000 -1.0 2.0
   33    41    40    45  15.00000 -1.0 2.0
   46    49    45    40  15.00000 -1.0 2.0
END
