* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    205    322     606
    1     0 S   NP   _N1_     1    28.88255    99.39192   -23.56521
    2     1 S   H    _HN1     2     1.02948    55.80076    10.46315
    3     1 S   H    _H1_     3     1.02829    54.04621   169.12569
    4     1 S   H    _H2_     4     1.02796   106.79343   -90.66457
    5     1 S   CT   _CA1     5     1.50120   141.02956    90.71519
    6     5 S   HC   _HA1     6     1.09573   105.16119   117.24839
    7     5 S   CO3  _C1_     7     1.53758   112.51718    -2.96630
    8     7 S   O2Z  _O11     8     1.26374   114.99756   -41.75999
    9     7 S   O2Z  _O12     9     1.26235   114.93646   137.28591
   10     5 S   CT   _CB1    10     1.53055   107.41659  -124.76733
   11    10 S   HC   HB11    11     1.09841   109.30812   -49.45441
   12    10 S   HC   HB12    12     1.09810   110.48293    67.13839
   13    10 S   CT   _CG1    13     1.53012   112.64185  -170.39606
   14    13 S   HC   HG11    14     1.09576   110.75414   -67.81024
   15    13 S   HC   HG12    15     1.09672   109.69701    51.43611
   16    13 S   C    _CD1    16     1.51799   111.98375   171.92985
   17    16 S   O    _OE1    17     1.22750   123.19275    12.86080
   18    16 S   N    _N2_    18     1.38576   111.76084  -167.16187
   19    18 S   H    _HN2    19     1.01569   119.08872     0.72009
   20    18 S   CT1  _CA2    20     1.46275   123.55031   177.00383
   21    20 S   HC   _HA2    21     1.09737   109.26038     8.47517
   22    20 S   C    _C2_    22     1.53728   109.12824  -107.11405
   23    22 S   O    _O2_    23     1.23090   122.23505  -151.77644
   24    20 S   CT   _CB2    32     1.53397   111.25491   130.48017
   25    24 S   HC   HB21    33     1.09446   109.24487    56.24488
   26    24 S   HC   HB22    34     1.09520   109.99677   175.22332
   27    22 S   N    _N3_    24     1.38311   113.97927    35.79386
   28    27 S   H    _HN3    25     1.01523   119.58123    -3.37719
   29    24 S   S    _SG2    35     1.83453   110.77962   -65.57629
   30    27 S   CT   _CA3    26     1.45267   123.32284   177.19949
   31    30 S   HC   HA31    27     1.09546   107.52206   -64.83019
   32    30 S   HC   HA32    28     1.09555   107.99922    51.64136
   33    29 S   CT   _C23    36     1.88158   103.37503   167.75333
   34    33 S   OM   _O38    37     1.32107   112.33067    21.33047
   35    30 S   CO3  _C3_    29     1.52977   114.01363   173.64273
   36    35 S   O2Z  _O31    30     1.26390   116.08423    -0.05935
   37    35 S   O2Z  _O32    31     1.26425   114.41643   180.00000
   38    33 S   CM   _C24    38     1.54007   104.89798   -96.46411
   39    38 S   CMA  _C25    39     1.36198   127.04729  -112.29218
   40    39 S   OM   _O36    40     1.27143   129.34635   176.22053
   41    38 S   C    _C26   106     1.51480   118.14700    65.93526
   42    41 S   O    _O37   107     1.22709   122.72774    74.56098
   43    39 S   CT   _C17    41     1.56309   119.37738    -1.59213
   44    41 S   N    _N6_   108     1.37688   113.52456  -105.27126
   45    44 S   H    _H22   109     1.01425   121.57734    -2.01684
   46    44 S   H    _H23   110     1.01233   120.63643  -178.71778
   47    43 S   CM   _C16    42     1.54503   113.71532  -103.63287
   48    43 S   CT   _C18    89     1.56340   112.20289    23.13888
   49    48 S   HC   _H3_    90     1.09980   107.86938    66.52814
   50    43 S   OH   _O39   104     1.45105   108.97830   139.16026
   51    50 S   HO   _H30   105     0.97451   105.84292    30.38786
   52    47 S   CM   _C15    43     1.35073   122.41485   153.50307
   53    33 S   CT   _C22    91     1.59929   111.25888   141.69086
   54    53 S   HC   _H5_    92     1.10188   105.59195  -167.85699
   55    47 S   OH   _O40   102     1.38619   115.10936   -26.61850
   56    55 S   HO   _H31   103     0.97178   109.21263  -177.46765
   57    52 S   CO4  _C14    44     1.49874   121.39805  -179.36020
   58    57 S   O    _O35    45     1.22667   121.68435   -18.88527
   59    53 S   NT   _N7_    93     1.49165   120.40775   -51.73412
   60    57 S   CA   _C12    46     1.49461   117.98801   161.28551
   61    59 S   CT   _C27    94     1.45441   119.16437    70.74295
   62    61 S   HC   _H24    95     1.09666   109.21573   154.54383
   63    61 S   HC   _H25    96     1.09345   113.09864    36.96013
   64    61 S   HC   _H26    97     1.09390   112.96228   -87.04224
   65    59 S   CT   _C28    98     1.45799   115.10948   -65.05997
   66    65 S   HC   _H27    99     1.09636   110.10491  -163.43349
   67    65 S   HC   _H28   100     1.09473   112.53100    76.60922
   68    65 S   HC   _H29   101     1.09541   111.47659   -46.08733
   69    60 S   CA   _C11    47     1.41135   119.91100    -9.37587
   70    69 S   CA   _C10    48     1.41815   120.06304  -177.02468
   71    69 S   CT   _C21    81     1.51646   119.52318     2.10096
   72    71 S   HC   _H20    82     1.09601   110.28190   152.45647
   73    71 S   HC   _H21    83     1.09341   107.43722   -89.94213
   74    70 S   CA   _C9_    49     1.41024   118.75288    -2.18023
   75    74 S   HA   _H16    50     1.08413   117.85104   179.42122
   76    70 S   NE   _N8_    72     1.40321   120.72973   176.88027
   77    52 S   CT   _C20    84     1.50074   123.73193     1.48121
   78    77 S   HC   _H4_    85     1.10109   107.39766   116.29535
   79    74 S   CA   _C8_    51     1.39589   121.70144     0.91898
   80    76 S   CT   _C29    73     1.45901   115.14605   -79.84367
   81    80 S   HC   _H32    74     1.09539   110.24527   168.15397
   82    80 S   HC   _H33    75     1.09455   112.30326    48.79915
   83    80 S   HC   _H34    76     1.09583   110.61549   -72.38606
   84    76 S   CT   _C30    77     1.45692   118.15355   135.28285
   85    84 S   HC   _H35    78     1.09548   109.96930  -162.71130
   86    84 S   HC   _H36    79     1.09522   111.55156    77.78331
   87    84 S   HC   _H37    80     1.09578   111.18671   -44.23052
   88    77 S   CT   _C19    86     1.53666   114.46870    -1.04155
   89    88 S   HC   _H18    87     1.09977   107.28901    91.51867
   90    88 S   HC   _H19    88     1.09487   110.50395  -156.05747
   91    60 S   CA   _C13    52     1.40586   120.62764   171.65981
   92    79 S   N    _N5_    55     1.41769   123.86994  -179.94766
   93    92 S   H    _H15    56     1.01841   113.90121  -179.33618
   94    91 S   OH   _O34    53     1.37537   122.51058    -1.70961
   95    94 S   HO   _H17    54     0.97383   109.08211     2.33280
   96    92 S   C    _C7_    57     1.38720   128.01335     0.76898
   97    96 S   O    _O33    58     1.22787   127.57493    -0.92746
   98    96 S   CT1  _C6_    59     1.51825   111.70820   179.80617
   99    98 S   HC   _H13    60     1.09529   107.80000    91.93148
  100    98 S   HC   _H14    61     1.09474   112.44210   -29.19880
  101    98 S   NP   _N4_    62     1.51749   111.73243  -150.15448
  102   101 S   H    _H9_    63     1.03017   106.66167   -46.06343
  103   101 S   CT   _C4_    64     1.50507   112.70501    71.00304
  104   103 S   HC   _H6_    65     1.09327   108.58215    62.96432
  105   103 S   HC   _H7_    66     1.09325   107.99054  -176.67016
  106   103 S   HC   _H8_    67     1.09249   108.57916   -57.80095
  107   101 S   CT   _C5_    68     1.50312   111.79003  -162.53971
  108   107 S   HC   _H10    69     1.09325   108.58155   -62.48065
  109   107 S   HC   _H11    70     1.09314   108.10336    58.10729
  110   107 S   HC   _H12    71     1.09318   108.12336   176.90756
  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   9   5   4   3
  16   7   2   1   1  14  14   5   6   3  16   2   1   1  15  16
   8   5   1  15  14   4   3   1  11   4   9  13   7   3   2   1
   3   2   1   1  15  18  10   4   3  10   4   9   4   3   8   7
   3   2   1   3   2   1   1   2   1   1   5   8   3   1   1   8
   4  12   5   4   9   8   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    53    54    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    88    48    49    53    54    59    61    65    41    42    44  
   38    39    48    53    54    59    41  
   36    37  
   37  
    0  
   39    40    43    47    48    53    54    59    50    41    42    44    45    46  
   40    43    47    52    88    48    49    53    55    50    51    41    42    44  
   43    47    48    50    41  
   42    44    45    46    43    53  
   44    45    46  
   47    52    57    77    88    89    90    48    49    53    54    59    55    56    50    51  
   45    46  
   46  
    0  
   52    57    58    60    71    77    78    88    48    49    53    55    56    50    51  
   49    53    54    59    61    65    55    50    51    52    71    77    78    88    89    90  
   53    54    59    50    77    88    89    90  
   51    52    53    55    88  
    0  
   57    58    60    69    91    71    72    73    77    78    88    89    90    55    56  
   54    59    61    62    63    64    65    66    67    68    77    88    89    90  
   59    61    65    88  
   56    57    77  
    0  
   58    60    69    70    79    91    94    71    77    78    88  
   60    69    91    77  
   61    62    63    64    65    66    67    68    88  
   69    70    74    79    91    94    95    92    76    71    72    73    77  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    74    75    79    91    94    76    80    84    71    72    73    77    78    88  
   74    75    79    91    92    76    80    81    82    83    84    85    86    87    71    72    73    77  
   72    73    77    78    88    89    90    74    76    91  
   73    77    78    88  
   77    78    88  
   75    79    91    94    92    93    96    76    80    84  
   79    91    92    76  
   80    81    82    83    84    85    86    87    79  
   78    88    89    90  
   88    89    90  
   91    94    95    92    93    96    97    98  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90  
   90  
    0  
   94    95    92    93    96  
   93    96    97    98    99   100   101    94  
   96    97    98  
   95  
    0  
   97    98    99   100   101   102   103   107  
   98    99   100   101  
   99   100   101   102   103   104   105   106   107   108   109   110  
  100   101   102   103   107  
  101   102   103   107  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   93   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   94   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   98   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
  102   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.6450   1.4500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   570.000  1.307
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   465.000  1.376
   38    41   410.000  1.444
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    47   317.000  1.510
   43    48   268.000  1.529
   43    50   320.000  1.410
   47    52   549.000  1.340
   47    55   510.000  1.338
   52    57   320.000  1.462
   52    77   317.000  1.510
   57    58   570.000  1.229
   57    60   310.000  1.470
   60    69   469.000  1.400
   60    91   469.000  1.400
   69    70   469.000  1.400
   69    71   317.000  1.510
   70    74   469.000  1.400
   70    76   481.000  1.340
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    91   469.000  1.400
   79    92   360.000  1.404
   91    94   450.000  1.364
   94    95   553.000  0.945
   92    93   434.000  1.010
   92    96   490.000  1.335
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   367.000  1.471
  101   102   434.000  1.010
  101   103   367.000  1.471
  101   107   367.000  1.471
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   76    80   382.000  1.448
   76    84   382.000  1.448
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    48   268.000  1.529
   48    49   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    59   382.000  1.448
   59    61   382.000  1.448
   59    65   382.000  1.448
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   55    56   553.000  0.945
   50    51   553.000  0.945
   41    42   570.000  1.229
   41    44   490.000  1.335
   44    45   434.000  1.010
   44    46   434.000  1.010
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  119.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    59    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    80.00000  125.30000
   38    41    44    80.00000  111.56200
   39    43    47    70.00000  110.12100
   39    43    48    70.00000  112.02700
   39    43    50    90.00000  110.39200
   43    39    40    85.00000  112.85300
   43    47    52    70.00000  124.00000
   43    47    55    90.00000  109.34000
   43    48    88    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    53    58.35000  112.70000
   43    50    51    55.00000  108.50000
   47    52    57    65.00000  118.96000
   47    52    77    70.00000  124.00000
   47    55    56    70.00000  107.45700
   52    57    58    80.00000  123.72100
   52    57    60    65.00000  117.02400
   52    77    71    70.00000  112.02700
   52    77    78    35.00000  109.50000
   52    77    88    70.00000  112.02700
   57    60    69    60.00000  119.52600
   57    60    91    60.00000  119.52600
   60    57    58    75.00000  123.78400
   60    69    70    63.00000  120.00000
   60    69    71    70.00000  120.00000
   60    91    79    63.00000  120.00000
   60    91    94    70.00000  120.00000
   69    70    74    63.00000  120.00000
   69    70    76    70.00000  120.10000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    77    70.00000  112.17500
   70    74    75    35.00000  120.00000
   70    74    79    63.00000  120.00000
   70    76    80    50.00000  120.00000
   70    76    84    50.00000  120.00000
   74    79    91    63.00000  120.00000
   74    79    92    70.00000  119.01900
   79    74    75    35.00000  120.00000
   79    91    94    70.00000  120.00000
   79    92    93    45.00000  118.23600
   79    92    96    65.00000  121.96500
   91    60    69    63.00000  120.00000
   91    94    95    35.00000  113.00000
   92    79    91    70.00000  119.01900
   92    96    97    80.00000  122.90000
   92    96    98    70.00000  116.60000
   96    92    93    35.00000  119.80000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    80.00000  111.20000
   98    96    97    80.00000  120.40000
   98   101   102    35.00000  109.50000
   98   101   103    75.00000  113.01200
   98   101   107    75.00000  113.01200
  100    98    99    33.00000  107.80000
  101    98    99    35.00000  109.50000
  101    98   100    35.00000  109.50000
  101   103   104    35.00000  109.50000
  101   103   105    35.00000  109.50000
  101   103   106    35.00000  109.50000
  101   107   108    35.00000  109.50000
  101   107   109    35.00000  109.50000
  101   107   110    35.00000  109.50000
  103   101   102    35.00000  109.50000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    35.00000  109.50000
  107   101   103    75.00000  113.01200
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   76    70    74    70.00000  120.10000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   76    84    85    35.00000  109.50000
   76    84    86    35.00000  109.50000
   76    84    87    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    76    80    50.00000  115.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   71    69    70    70.00000  120.00000
   71    77    78    37.50000  110.70000
   71    77    88    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    52    57    65.00000  116.34900
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    88    89    37.50000  110.70000
   77    88    90    37.50000  110.70000
   77    88    48    58.35000  112.70000
   88    77    78    37.50000  110.70000
   88    48    49    37.50000  110.70000
   88    48    53    58.35000  112.70000
   90    88    89    33.00000  107.80000
   48    43    47    70.00000  112.02700
   48    88    89    37.50000  110.70000
   48    88    90    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    59    56.20000  109.47000
   53    33    34    50.00000  109.50000
   53    33    38    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    59    61    51.80000  107.20000
   53    59    65    51.80000  107.20000
   59    53    54    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    61    51.80000  107.20000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   55    47    52    80.00000  121.38400
   50    43    47    90.00000  110.39200
   50    43    48    50.00000  109.50000
   41    38    39    60.00000  120.04000
   41    44    45    35.00000  119.80000
   41    44    46    35.00000  119.80000
   44    41    42    80.00000  122.90000
   46    44    45    35.00000  120.00000
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
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   65    59    61    62   0.28000  1.0 3.0
   65    59    61    63   0.28000  1.0 3.0
   65    59    61    64   0.28000  1.0 3.0
   55    47    52    57   7.00000 -1.0 2.0
   55    47    52    77   7.00000 -1.0 2.0
   50    43    47    52   0.67800  1.0 1.0
   50    43    47    52   0.47050 -1.0 2.0
   50    43    47    52  -0.62500  1.0 3.0
   50    43    47    55   0.09700  1.0 1.0
   50    43    47    55   0.15600 -1.0 2.0
   50    43    47    55  -0.50800  1.0 3.0
   50    43    48    88   0.86500  1.0 1.0
   50    43    48    88  -0.17500 -1.0 2.0
   50    43    48    88   0.20800  1.0 3.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    53   0.86500  1.0 1.0
   50    43    48    53  -0.17500 -1.0 2.0
   50    43    48    53   0.20800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    44    45   2.45000 -1.0 2.0
   42    41    44    46   2.45000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    55    47    52   1.10000 -1.0 2.0
   57    77    52    47   1.10000 -1.0 2.0
   52    60    57    58  10.50000 -1.0 2.0
   69    91    60    57   4.00000 -1.0 2.0
   70    71    69    60   4.00000 -1.0 2.0
   74    76    70    69   4.00000 -1.0 2.0
   79    75    74    70   1.10000 -1.0 2.0
   91    92    79    74   4.00000 -1.0 2.0
   79    94    91    60   4.00000 -1.0 2.0
   93    96    92    79   1.00000 -1.0 2.0
   92    98    96    97  10.50000 -1.0 2.0
   84    70    76    80   1.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
   46    41    44    45   1.00000 -1.0 2.0
END
