* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    225    368     687
    1     0 S   NP   _N1_     1    28.69749    96.42832   -22.27979
    2     1 S   H    _HN1     2     1.02829    41.00864   161.53452
    3     1 S   H    _H1_     3     1.02787    96.59422   -88.68857
    4     1 S   H    _H2_     4     1.02952    73.88099    18.56778
    5     1 S   CT   _CA1     5     1.50110   146.59883   121.33335
    6     5 S   HC   _HA1     6     1.09575   105.20313    86.16571
    7     5 S   CO3  _C1_     7     1.53792   112.45344   -34.07990
    8     7 S   O2Z  _O11     8     1.26373   115.00959   -42.84158
    9     7 S   O2Z  _O12     9     1.26243   114.94452   136.30334
   10     5 S   CT   _CB1    10     1.53080   107.41631  -155.85611
   11    10 S   HC   HB11    11     1.09834   109.37804   -49.79019
   12    10 S   HC   HB12    12     1.09816   110.44406    66.81574
   13    10 S   CT   _CG1    13     1.52986   112.60495  -170.77783
   14    13 S   HC   HG11    14     1.09588   110.61189   -65.30969
   15    13 S   HC   HG12    15     1.09671   109.81540    53.92841
   16    13 S   C    _CD1    16     1.51795   112.23860   174.37078
   17    16 S   O    _OE1    17     1.22730   123.29622     5.81146
   18    16 S   N    _N2_    18     1.38646   111.64445  -174.28365
   19    18 S   H    _HN2    19     1.01577   118.95160     1.76425
   20    18 S   CT1  _CA2    20     1.46242   123.39728   177.93322
   21    20 S   HC   _HA2    21     1.09745   109.39310     1.51930
   22    20 S   C    _C2_    22     1.53572   108.45916  -113.89748
   23    22 S   O    _O2_    23     1.23050   122.34802  -147.50295
   24    20 S   CT   _CB2    32     1.53658   111.61434   123.55242
   25    24 S   HC   HB21    33     1.09382   108.97834    56.44349
   26    24 S   HC   HB22    34     1.09075   109.20625   175.03193
   27    22 S   N    _N3_    24     1.38353   113.65229    39.92280
   28    27 S   H    _HN3    25     1.01590   119.56675    -3.36563
   29    24 S   S    _SG2    35     1.82973   110.64105   -64.32456
   30    27 S   CT   _CA3    26     1.45288   123.20549   177.11758
   31    30 S   HC   HA31    27     1.09551   107.50238   -64.59080
   32    30 S   HC   HA32    28     1.09558   107.98989    51.84294
   33    29 S   CT   _C23    36     1.91669   104.42590  -177.24231
   34    30 S   CO3  _C3_    29     1.52959   114.08948   173.82959
   35    34 S   O2Z  _O31    30     1.26376   116.06964    -1.17203
   36    34 S   O2Z  _O32    31     1.26431   114.41479   178.89962
   37    33 S   CT   _C28    37     1.54718   108.77798   -45.59986
   38    37 S   HC   _H40    38     1.09739   110.26777   174.66796
   39    37 S   HC   _H41    39     1.09622   111.82124    61.33675
   40    33 S   CT   _C22    98     1.55589   109.26545    76.93523
   41    40 S   HC   _H8_    99     1.09551   108.95058  -179.25140
   42    37 S   CT   _C27    40     1.53476   113.28088   -63.01646
   43    42 S   HC   _H9_    41     1.09484   110.65194    70.59648
   44    40 S   OH   _O34   100     1.42417   111.92628   -63.96464
   45    44 S   HO   _H46   101     0.97243   107.80034  -179.22671
   46    42 S   CT   _C26    42     1.52659   113.04216   -51.73202
   47    46 S   HC   _H38    43     1.09721   109.67289   -75.83149
   48    46 S   HC   _H39    44     1.09764   109.13231   170.33802
   49    42 S   OH   _O33   110     1.42674   109.23185  -172.34750
   50    49 S   HO   _H42   111     0.97247   107.51455   -58.08116
   51    46 S   CT   _C25    45     1.53250   113.81805    47.93247
   52    51 S   HC   _H36    46     1.09586   109.19848    72.99477
   53    51 S   HC   _H37    47     1.09678   107.45873  -173.07338
   54    33 S   CT   _C24    48     1.60342   109.16091  -164.93851
   55    54 S   CT   _C19    49     1.58174   109.27982   -60.19761
   56    55 S   HC   _H6_    50     1.09759   107.49016    60.68109
   57    54 S   CT   _C29   106     1.56431   112.02870   179.46992
   58    57 S   HC   _H43   107     1.09172   113.30423    66.81294
   59    57 S   HC   _H44   108     1.09250   112.95264   -54.16261
   60    57 S   HC   _H45   109     1.09546   111.07423  -172.91753
   61    55 S   CT   _C18    51     1.54976   115.00648   175.73336
   62    61 S   HC   _H32    52     1.09395   110.72886    57.73154
   63    61 S   HC   _H33    53     1.09560   109.85767   -59.57936
   64    61 S   CT   _C17    54     1.54171   113.09835  -179.59362
   65    64 S   HC   _H30    55     1.09769   108.60606    67.83852
   66    64 S   HC   _H31    56     1.09353   108.06550  -177.16786
   67    64 S   CT   _C16    57     1.53995   112.34854   -53.95649
   68    67 S   CT   _C15    58     1.55177   106.84942    55.76383
   69    68 S   HC   _H5_    59     1.10325   108.20208    56.44810
   70    67 S   CT   _C30   102     1.54827   109.78278   -68.15715
   71    70 S   HC   _H47   103     1.09442   112.47023  -177.79531
   72    70 S   HC   _H48   104     1.09298   112.82504    61.29471
   73    70 S   HC   _H49   105     1.09511   110.83511   -57.93901
   74    68 S   CT   _C14    60     1.52091   103.90428   168.59870
   75    74 S   HC   _H28    61     1.09482   112.08877  -155.53022
   76    74 S   HC   _H29    62     1.09572   111.58760    83.75680
   77    55 S   CT   _C20    93     1.56272   111.90668   -56.35885
   78    77 S   HC   _H7_    94     1.09446   109.35242   -66.24339
   79    74 S   CT   _C13    63     1.53468   103.90997   -35.30144
   80    79 S   HC   _H26    64     1.09598   109.25095   130.11940
   81    79 S   HC   _H27    65     1.09575   110.69364  -111.73684
   82    77 S   CT   _C21    95     1.53645   112.62091    51.79643
   83    82 S   HC   _H34    96     1.09681   110.70467    74.53560
   84    82 S   HC   _H35    97     1.09804   109.51911  -170.80610
   85    67 S   CT   _C12    66     1.56137   115.98000   165.21921
   86    85 S   HC   _H4_    67     1.09949   106.99673   -42.08316
   87    85 S   CT   _C5_    68     1.55294   119.34829    80.26156
   88    87 S   HC   _H3_    69     1.09794   108.37245    58.31758
   89    87 S   CT   _C4_    70     1.53170   112.76568   -59.89631
   90    89 S   HC   _H10    71     1.09457   111.71222   -47.68972
   91    89 S   HC   _H11    72     1.09264   111.07688    73.43830
   92    89 S   HC   _H12    73     1.09557   111.11147  -168.41777
   93    87 S   CT   _C6_    74     1.55178   113.00771   174.85753
   94    93 S   HC   _H13    75     1.09830   108.32099  -176.07265
   95    93 S   HC   _H14    76     1.09659   109.53708   -61.56534
   96    93 S   CT   _C7_    77     1.53387   115.24625    61.83298
   97    96 S   HC   _H15    78     1.09534   110.11039    57.54591
   98    96 S   HC   _H16    79     1.09372   109.56506   -60.59550
   99    96 S   CT   _C8_    80     1.53337   110.96536   178.50708
  100    99 S   HC   _H17    81     1.09756   109.35005    61.96362
  101    99 S   HC   _H18    82     1.09770   108.66817   -54.06515
  102    99 S   CT   _C9_    83     1.54010   113.47765  -175.13409
  103   102 S   HC   _H19    84     1.09738   108.70584    56.34433
  104   102 S   CT   _C10    85     1.52942   112.49382   -63.50165
  105   104 S   HC   _H20    86     1.09523   111.25801   -55.82510
  106   104 S   HC   _H21    87     1.09546   110.75324  -175.89287
  107   104 S   HC   _H22    88     1.09410   111.38532    64.99753
  108   102 S   CT   _C11    89     1.53076   109.79081   174.04339
  109   108 S   HC   _H23    90     1.09539   111.28401    61.95406
  110   108 S   HC   _H24    91     1.09521   110.83637  -177.79167
  111   108 S   HC   _H25    92     1.09517   110.83603   -58.32309
  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  13   5   4   3
  26   2   1   1  17   7   6  14   7  10   6   6   1  10   6   5
   2   1  11   4   3  14  20   9   5   2   1   1  12   6   5  15
   5   4  21  19   9   9   3   2   1  11   6   5   6   3   8   4
   3   2   1   1  11   4  12   8   7   3   2   1   9   5   4   9
   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    54    55    82    40    41    44    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    51    52    53    54    55    56    61    77    82    83    84    40    41    44    45    57    58    59    60    49  
   35    36  
   36  
    0  
   38    39    42    43    46    47    48    51    54    55    82    40    41    44    57    49    50  
   39    42    43    46    54    40    49  
   42    43    46    54    40    49  
   41    44    45    57    42    51    54    55    68    77    78    82    83    84  
   44    45    54    77    82    83    84  
   43    46    47    48    51    52    53    54    49    50  
   46    47    48    51    49    50  
   45    54    77    82    83    84  
   82  
   47    48    51    52    53    54    55    57    49    50  
   48    51    52    53    54    49  
   51    52    53    54    49  
   50    51  
    0  
   52    53    54    55    56    61    77    57    58    59    60  
   53    54    55    57  
   54    55    57  
   55    56    61    62    63    64    68    77    78    82    57    58    59    60  
   56    61    62    63    64    65    66    67    68    69    74    77    78    82    83    84    57    58    59    60  
   61    62    63    64    68    77    78    82    57  
   58    59    60    61    77  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    85    77    78    82    70  
   63    64    65    66    67    77  
   64    65    66    67    77  
   65    66    67    68    69    74    79    85    86    87    77    70    71    72    73  
   66    67    68    85    70  
   67    68    85    70  
   68    69    74    75    76    79    80    81    85    86    87    88    89    93    77    78    82    70    71    72    73  
   69    74    75    76    79    80    81    85    86    87    77    78    82    83    84    70    71    72    73  
   74    75    76    79    85    77    78    82    70  
   71    72    73    74    77    79    85    86    87  
   72    73    85  
   73    85  
   85  
   75    76    79    80    81    85    86    87    77    78    82  
   76    79    80    81    85    77  
   79    80    81    85    77  
   78    82    83    84    79    85  
   82    83    84  
   80    81    85    86    87    88    89    93  
   81    85    86    87  
   85    86    87  
   83    84  
   84  
    0  
   86    87    88    89    90    91    92    93    94    95    96  
   87    88    89    93  
   88    89    90    91    92    93    94    95    96    97    98    99  
   89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96    97    98    99   100   101   102  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102   103   104   108  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   108  
  102   103   104   108  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   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    54   268.000  1.529
   33    40   268.000  1.529
   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    46   268.000  1.529
   42    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    57   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    77   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    85   268.000  1.529
   67    70   268.000  1.529
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   268.000  1.529
   87    88   340.000  1.090
   87    89   268.000  1.529
   87    93   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   77    78   340.000  1.090
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   553.000  0.945
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    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    54    51    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    49    50.00000  109.50000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    58.35000  112.70000
   42    49    50    55.00000  108.50000
   46    42    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    54    55    58.35000  112.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    33    37    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    61    58.35000  112.70000
   54    55    77    58.35000  112.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    58.35000  112.70000
   55    77    68    58.35000  112.70000
   55    77    78    37.50000  110.70000
   55    77    82    58.35000  112.70000
   61    55    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    85    58.35000  112.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    74    58.35000  112.70000
   67    68    77    58.35000  112.70000
   67    85    79    58.35000  112.70000
   67    85    86    37.50000  110.70000
   67    85    87    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    79    58.35000  112.70000
   68    77    78    37.50000  110.70000
   68    77    82    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    85    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    58.35000  112.70000
   81    79    80    33.00000  107.80000
   85    67    68    58.35000  112.70000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    87    88    37.50000  110.70000
   85    87    89    58.35000  112.70000
   85    87    93    58.35000  112.70000
   87    85    86    37.50000  110.70000
   87    89    90    37.50000  110.70000
   87    89    91    37.50000  110.70000
   87    89    92    37.50000  110.70000
   87    93    94    37.50000  110.70000
   87    93    95    37.50000  110.70000
   87    93    96    58.35000  112.70000
   89    87    88    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    87    88    37.50000  110.70000
   93    87    89    58.35000  112.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    58.35000  112.70000
   99   102   108    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  104   102   103    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
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    61    58.35000  112.70000
   77    68    69    37.50000  110.70000
   77    68    74    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    40    58.35000  112.70000
   82    77    78    37.50000  110.70000
   82    40    41    37.50000  110.70000
   82    40    44    50.00000  109.50000
   84    82    83    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   70    67    68    58.35000  112.70000
   70    67    85    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    46    50.00000  109.50000
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
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   81    79    85    67   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   85    67    68    69   0.15000  1.0 3.0
   85    67   -68    74   0.56750  1.0 1.0
   85    67   -68    74  -0.07550 -1.0 2.0
   85    67   -68    74   0.20000  1.0 3.0
   85    67    68    77   0.56750  1.0 1.0
   85    67    68    77  -0.07550 -1.0 2.0
   85    67    68    77   0.20000  1.0 3.0
   85    67    70    71   0.15000  1.0 3.0
   85    67    70    72   0.15000  1.0 3.0
   85    67    70    73   0.15000  1.0 3.0
   85    87    89    90   0.15000  1.0 3.0
   85    87    89    91   0.15000  1.0 3.0
   85    87    89    92   0.15000  1.0 3.0
   85    87    93    94   0.15000  1.0 3.0
   85    87    93    95   0.15000  1.0 3.0
   85    87    93    96   0.56750  1.0 1.0
   85    87    93    96  -0.07550 -1.0 2.0
   85    87    93    96   0.20000  1.0 3.0
   86    85    87    88   0.15000  1.0 3.0
   86    85    87    89   0.15000  1.0 3.0
   86    85    87    93   0.15000  1.0 3.0
   87    93    96    97   0.15000  1.0 3.0
   87    93    96    98   0.15000  1.0 3.0
   87    93    96    99   0.56750  1.0 1.0
   87    93    96    99  -0.07550 -1.0 2.0
   87    93    96    99   0.20000  1.0 3.0
   88    87    89    90   0.15000  1.0 3.0
   88    87    89    91   0.15000  1.0 3.0
   88    87    89    92   0.15000  1.0 3.0
   88    87    93    94   0.15000  1.0 3.0
   88    87    93    95   0.15000  1.0 3.0
   88    87    93    96   0.15000  1.0 3.0
   89    87    93    94   0.15000  1.0 3.0
   89    87    93    95   0.15000  1.0 3.0
   89    87    93    96   0.56750  1.0 1.0
   89    87    93    96  -0.07550 -1.0 2.0
   89    87    93    96   0.20000  1.0 3.0
   93    87    89    90   0.15000  1.0 3.0
   93    87    89    91   0.15000  1.0 3.0
   93    87    89    92   0.15000  1.0 3.0
   93    96    99   100   0.15000  1.0 3.0
   93    96    99   101   0.15000  1.0 3.0
   93    96    99   102   0.56750  1.0 1.0
   93    96    99   102  -0.07550 -1.0 2.0
   93    96    99   102   0.20000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  1.0 3.0
   96    99   102   103   0.15000  1.0 3.0
   96    99   102   104   0.56750  1.0 1.0
   96    99   102   104  -0.07550 -1.0 2.0
   96    99   102   104   0.20000  1.0 3.0
   96    99   102   108   0.56750  1.0 1.0
   96    99   102   108  -0.07550 -1.0 2.0
   96    99   102   108   0.20000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.15000  1.0 3.0
   97    96    99   102   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.15000  1.0 3.0
   98    96    99   102   0.15000  1.0 3.0
   99   102   104   105   0.15000  1.0 3.0
   99   102   104   106   0.15000  1.0 3.0
   99   102   104   107   0.15000  1.0 3.0
   99   102   108   109   0.15000  1.0 3.0
   99   102   108   110   0.15000  1.0 3.0
   99   102   108   111   0.15000  1.0 3.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   108   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   108   0.15000  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.15000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   0.15000  1.0 3.0
   77    55    61    62   0.15000  1.0 3.0
   77    55    61    63   0.15000  1.0 3.0
   77    55   -61    64   0.56750  1.0 1.0
   77    55   -61    64  -0.07550 -1.0 2.0
   77    55   -61    64   0.20000  1.0 3.0
   77    68    74    75   0.15000  1.0 3.0
   77    68    74    76   0.15000  1.0 3.0
   77    68    74    79   0.56750  1.0 1.0
   77    68    74    79  -0.07550 -1.0 2.0
   77    68    74    79   0.20000  1.0 3.0
   77    82   -40    33   0.56750  1.0 1.0
   77    82   -40    33  -0.07550 -1.0 2.0
   77    82   -40    33   0.20000  1.0 3.0
   77    82    40    41   0.15000  1.0 3.0
   77    82    40    44   0.86500  1.0 1.0
   77    82    40    44  -0.17500 -1.0 2.0
   77    82    40    44   0.20800  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    40   0.15000  1.0 3.0
   82    40    44    45  -0.11600  1.0 1.0
   82    40    44    45  -0.09450 -1.0 2.0
   82    40    44    45   0.21250  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    41   0.15000  1.0 3.0
   83    82    40    44   0.23400  1.0 3.0
   84    82    40    33   0.15000  1.0 3.0
   84    82    40    41   0.15000  1.0 3.0
   84    82    40    44   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    54    51   0.56750  1.0 1.0
   40    33    54    51  -0.07550 -1.0 2.0
   40    33    54    51   0.20000  1.0 3.0
   40    33   -54    55   0.56750  1.0 1.0
   40    33   -54    55  -0.07550 -1.0 2.0
   40    33   -54    55   0.20000  1.0 3.0
   40    33    54    57   0.56750  1.0 1.0
   40    33    54    57  -0.07550 -1.0 2.0
   40    33    54    57   0.20000  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    74   0.56750  1.0 1.0
   70    67    68    74  -0.07550 -1.0 2.0
   70    67    68    74   0.20000  1.0 3.0
   70    67    68    77   0.56750  1.0 1.0
   70    67    68    77  -0.07550 -1.0 2.0
   70    67    68    77   0.20000  1.0 3.0
   70    67    85    79   0.56750  1.0 1.0
   70    67    85    79  -0.07550 -1.0 2.0
   70    67    85    79   0.20000  1.0 3.0
   70    67    85    86   0.15000  1.0 3.0
   70    67    85    87   0.56750  1.0 1.0
   70    67    85    87  -0.07550 -1.0 2.0
   70    67    85    87   0.20000  1.0 3.0
   57    54    55    56   0.15000  1.0 3.0
   57    54    55    61   0.56750  1.0 1.0
   57    54    55    61  -0.07550 -1.0 2.0
   57    54    55    61   0.20000  1.0 3.0
   57    54    55    77   0.56750  1.0 1.0
   57    54    55    77  -0.07550 -1.0 2.0
   57    54    55    77   0.20000  1.0 3.0
   49    42    46    47   0.23400  1.0 3.0
   49    42    46    48   0.23400  1.0 3.0
   49    42    46    51   0.86500  1.0 1.0
   49    42    46    51  -0.17500 -1.0 2.0
   49    42    46    51   0.20800  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
END
