* LIGAND DATABASE FILE (OPLS2005)
*
001     107   110    208    325     616
    1     0 S   NP   _N1_     1    29.08900    95.26234   -23.64917
    2     1 S   H    _HN1     2     1.02948    79.07644    16.66166
    3     1 S   H    _H1_     3     1.02827    31.41921   169.50180
    4     1 S   H    _H2_     4     1.02782   104.42406   -89.69635
    5     1 S   CT   _CA1     5     1.50117   135.82161   124.77207
    6     5 S   HC   _HA1     6     1.09571   105.21513    82.31796
    7     5 S   CO3  _C1_     7     1.53791   112.38767   -37.95280
    8     7 S   O2Z  _O11     8     1.26377   115.00043   -43.52715
    9     7 S   O2Z  _O12     9     1.26237   114.94264   135.55497
   10     5 S   CT   _CB1    10     1.53057   107.41339  -159.69030
   11    10 S   HC   HB11    11     1.09835   109.40864   -49.53613
   12    10 S   HC   HB12    12     1.09825   110.43842    67.03988
   13    10 S   CT   _CG1    13     1.53025   112.62119  -170.53461
   14    13 S   HC   HG11    14     1.09581   110.59387   -64.36615
   15    13 S   HC   HG12    15     1.09656   109.91028    54.96115
   16    13 S   C    _CD1    16     1.51735   112.08545   175.35966
   17    16 S   O    _OE1    17     1.22707   123.16026     3.69014
   18    16 S   N    _N2_    18     1.38605   111.83514  -176.45216
   19    18 S   H    _HN2    19     1.01581   119.07756     1.56348
   20    18 S   CT1  _CA2    20     1.46114   123.18625   179.08936
   21    20 S   HC   _HA2    21     1.09580   109.26394    -2.85526
   22    20 S   C    _C2_    22     1.53466   108.88381  -117.97944
   23    22 S   O    _O2_    23     1.23060   122.19729  -150.02196
   24    20 S   CT   _CB2    32     1.53350   111.71389   119.50650
   25    24 S   HC   HB21    33     1.09655   109.56887    62.67370
   26    24 S   HC   HB22    34     1.09564   111.03061  -179.92338
   27    22 S   N    _N3_    24     1.38320   113.70094    37.46870
   28    27 S   H    _HN3    25     1.01615   119.51046    -3.30529
   29    24 S   S    _SG2    35     1.82838   114.36210   -56.87596
   30    27 S   CT   _CA3    26     1.45286   123.16909   177.02691
   31    30 S   HC   HA31    27     1.09549   107.50095   -64.93907
   32    30 S   HC   HA32    28     1.09559   107.98244    51.47975
   33    29 S   CT   _C29    36     1.83960    99.96397   -70.89452
   34    33 S   HC   _H3_    37     1.09075   106.59806   -56.64166
   35    33 S   HC   _H4_    38     1.09159   104.61649    58.72643
   36    30 S   CO3  _C3_    29     1.52947   114.13062   173.53228
   37    36 S   O2Z  _O31    30     1.26369   116.07049     0.60458
   38    36 S   O2Z  _O32    31     1.26433   114.40842  -179.33914
   39    33 S   CT   _C22    39     1.56762   115.40319   178.38650
   40    39 S   CT   _C17    40     1.55962   111.55418    51.76684
   41    40 S   HC   _H51    41     1.09397   110.20625   -51.05260
   42    39 S   OH   _O34   106     1.43798   103.65237   -63.67313
   43    42 S   HO   _H73   107     0.97222   107.55729   174.90184
   44    40 S   CT   _C10    42     1.52775   111.55719    71.23790
   45    44 S   HC   _H41    43     1.09635   109.76098   -68.51212
   46    44 S   HC   _H42    44     1.09633   110.04044   174.54458
   47    40 S   OS   _O35    99     1.44856   109.31669  -167.54362
   48    44 S   CT   _C9_    45     1.53111   113.25272    53.61629
   49    48 S   HC   _H39    46     1.09378   109.50730    68.77360
   50    48 S   HC   _H40    47     1.09138   106.15922  -178.23497
   51    47 S   CO4  _C6_   100     1.36182   118.27181   155.58801
   52    51 S   O    _O27   101     1.22280   126.51801     0.23739
   53    48 S   CT   _C14    48     1.55445   112.52337   -55.49234
   54    53 S   HC   _H48    49     1.09756   105.05111   -55.22026
   55    51 S   CT   _C23   102     1.49847   109.31614  -179.49410
   56    55 S   HC   _H54   103     1.09309   109.85404   -57.74298
   57    55 S   HC   _H55   104     1.09370   109.37880  -176.66405
   58    55 S   HC   _H56   105     1.09280   109.77443    64.08908
   59    53 S   CT   _C20    50     1.61075   114.83674  -166.86274
   60    59 S   CT   _C15    51     1.58549   107.79936  -178.03367
   61    60 S   HC   _H49    52     1.09899   107.47322   -66.30848
   62    59 S   CT   _C16    80     1.59003   107.76887    63.26351
   63    62 S   HC   _H50    81     1.09131   109.18951   -39.08901
   64    59 S   CT   _C27    95     1.54392   111.47160   -54.53456
   65    64 S   HC   _H66    96     1.09426   112.03608   174.29209
   66    64 S   HC   _H67    97     1.09437   111.55751    55.15769
   67    64 S   HC   _H68    98     1.08713   113.29332   -67.04887
   68    60 S   CT   _C12    53     1.53450   113.85549    49.28861
   69    68 S   HC   _H45    54     1.09412   111.59099    68.05273
   70    68 S   HC   _H46    55     1.09856   109.14693  -177.72394
   71    60 S   CT   _C26    76     1.53382   116.12615   175.81142
   72    71 S   HC   _H63    77     1.09304   112.36914   -53.95603
   73    71 S   HC   _H64    78     1.09649   110.76436  -173.69643
   74    71 S   HC   _H65    79     1.09163   111.35218    69.24154
   75    62 S   CT   _C11    82     1.52817   119.50749  -159.84303
   76    75 S   HC   _H43    83     1.09545   112.07256    79.61177
   77    75 S   HC   _H44    84     1.09020   112.45257   -41.12501
   78    62 S   OS   _O33    94     1.43832   111.32444    76.66890
   79    68 S   CT   _C18    56     1.53088   111.45256   -58.56693
   80    79 S   HC   _H52    57     1.09544   106.53722   -58.72877
   81    75 S   CT   _C13    85     1.51403   103.49934  -158.19024
   82    81 S   HC   _H47    86     1.09487   112.42581   147.72398
   83    39 S   CT   _C21    58     1.63127   112.37130   177.04633
   84    79 S   OS   _O36    69     1.44265   109.04410  -176.33649
   85    81 S   CM   _C4_    87     1.48439   115.72102   -84.99278
   86    85 S   HC   _H37    88     1.07895   125.78756   -63.05516
   87    83 S   CT   _C28    59     1.58032   111.08941   168.90472
   88    87 S   HC   _H69    60     1.08768   111.40633  -165.36679
   89    87 S   HC   _H70    61     1.09130   111.99095    75.55297
   90    84 S   CO4  _C7_    70     1.36204   117.86632    84.50099
   91    90 S   O    _O28    71     1.22310   126.45601    -3.05883
   92    85 S   CM   _C5_    89     1.32682   108.48525   119.38791
   93    92 S   HC   _H38    90     1.07557   128.49898   177.61427
   94    87 S   OS   _O37    62     1.43985   112.78031   -46.94051
   95    90 S   CT   _C24    72     1.49842   109.37020   177.27667
   96    95 S   HC   _H57    73     1.09320   109.83203   -58.06080
   97    95 S   HC   _H58    74     1.09375   109.37176  -176.89997
   98    95 S   HC   _H59    75     1.09274   109.80782    63.79330
   99    92 S   OS   _O30    91     1.37667   116.46865    -1.50168
  100    94 S   CO4  _C8_    63     1.36267   116.11752   177.67737
  101   100 S   O    _O29    64     1.22307   126.31187    -0.26319
  102    81 S   CO   _C19    92     1.53035   104.24209    25.16506
  103   102 S   HC   _H53    93     1.09529   112.24319   108.63572
  104   100 S   CT   _C25    65     1.49809   109.42623  -179.88809
  105   104 S   HC   _H60    66     1.09303   109.83258   -59.26642
  106   104 S   HC   _H61    67     1.09370   109.37525  -178.27286
  107   104 S   HC   _H62    68     1.09292   109.76318    62.57348
  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   7   5   4   3
  13   5   4   2   1   1  22  17   8   7   1  11   6   5   8  11
   5   4   5   4  22   7   3   2   1   1  24  20  10  18   7   8
   2   1   1  12   6   5   4   2   1   1  11   6   5   7  10   4
   8   6   7   7   6   4   6   3   2   5   4   4   2   6   3   2
   1   1   2   5   4   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    83    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    53    79    83    87    47    42    43  
   35    39    40    83    42  
   39    40    83    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    53    54    59    68    79    80    83    87    88    89    94    84    47    51    42    43  
   41    44    45    46    48    49    50    53    79    83    87    47    51    52    55    42    43  
   44    45    46    48    83    47    51    42  
   43    44    47    53    79    83    87  
   83  
   45    46    48    49    50    53    54    59    83    47    51  
   46    48    49    50    53    47  
   48    49    50    53    47  
   51    52    55    56    57    58    48    83  
   49    50    53    54    59    60    79    83    87    62    64  
   50    53    54    59    83  
   53    54    59    83  
   52    55    56    57    58  
   55    56    57    58  
   54    59    60    61    68    79    80    83    87    88    89    94    84    71    62    63    75    78    64    65    66    67  
   59    60    79    83    87    62    64  
   56    57    58  
   57    58  
   58  
    0  
   60    61    68    69    70    79    83    87    71    72    73    74    62    63    75    76    77    81   102    78    64    65    66    67  
   61    68    69    70    79    80    83    84    71    72    73    74    62    63    75    78    64    65    66    67  
   68    69    70    79    71    72    73    74    62    64  
   63    75    76    77    81    82    85    99   102   103    78    64    65    66    67    68    71    83  
   75    76    77    81   102    78    64  
   65    66    67    68    71    75    78    83  
   66    67  
   67  
    0  
   69    70    79    80    83    87    84    90    71    72    73    74  
   70    79    80    83    84    71  
   79    80    83    84    71  
   72    73    74    79  
   73    74  
   74  
    0  
   76    77    81    82    85    86    92    99   102   103    78  
   77    81    82    85   102    78  
   81    82    85   102    78  
   81    82    85    92    99   102   103  
   80    83    87    88    89    94    84    90    91    95  
   83    87    84    90  
   82    85    86    92    93    99   102   103  
   85    86    92    99   102   103  
   87    88    89    94   100    84    90  
   90    91    95    96    97    98    87  
   86    92    93    99   102   103  
   92    93    99   102  
   88    89    94   100   101   104  
   89    94   100  
   94   100  
   91    95    96    97    98  
   95    96    97    98  
   93    99   102   103  
   99   102  
  100   101   104   105   106   107  
   96    97    98  
   97    98  
   98  
    0  
  102   103  
  101   104   105   106   107  
  104   105   106   107  
  103  
    0  
  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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    83   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    83   268.000  1.529
   59    60   268.000  1.529
   59    62   268.000  1.529
   59    64   268.000  1.529
   60    61   340.000  1.090
   60    68   268.000  1.529
   60    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    79   268.000  1.529
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    84   320.000  1.410
   83    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   320.000  1.410
   94   100   214.000  1.327
  100   101   570.000  1.229
  100   104   317.000  1.522
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   84    90   214.000  1.327
   90    91   570.000  1.229
   90    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   62    63   340.000  1.090
   62    75   268.000  1.529
   62    78   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    85   317.000  1.510
   81   102   250.000  1.527
   85    86   340.000  1.080
   85    92   549.000  1.340
   92    93   340.000  1.080
   92    99   440.000  1.360
   99   102   320.000  1.380
  102   103   340.000  1.090
  102    78   320.000  1.380
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   47    51   214.000  1.327
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    83    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    47    50.00000  109.50000
   39    83    53    58.35000  112.70000
   39    83    79    58.35000  112.70000
   39    83    87    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    51    83.00000  116.90000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    58.35000  112.70000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    59    58.35000  112.70000
   48    53    83    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    59    60    58.35000  112.70000
   53    59    62    58.35000  112.70000
   53    59    64    58.35000  112.70000
   53    83    79    58.35000  112.70000
   53    83    87    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    60    61    37.50000  110.70000
   59    60    68    58.35000  112.70000
   59    60    71    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    75    58.35000  112.70000
   59    62    78    50.00000  109.50000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    79    58.35000  112.70000
   60    71    72    37.50000  110.70000
   60    71    73    37.50000  110.70000
   60    71    74    37.50000  110.70000
   68    60    61    37.50000  110.70000
   68    79    80    37.50000  110.70000
   68    79    83    58.35000  112.70000
   68    79    84    50.00000  109.50000
   70    68    69    33.00000  107.80000
   79    68    69    37.50000  110.70000
   79    68    70    37.50000  110.70000
   79    83    87    58.35000  112.70000
   79    84    90    83.00000  116.90000
   83    39    40    58.35000  112.70000
   83    53    54    37.50000  110.70000
   83    53    59    58.35000  112.70000
   83    79    80    37.50000  110.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    94    50.00000  109.50000
   87    94   100    83.00000  116.90000
   89    87    88    33.00000  107.80000
   94    87    88    35.00000  109.50000
   94    87    89    35.00000  109.50000
   94   100   101    83.00000  123.40000
   94   100   104    81.00000  111.40000
  100   104   105    35.00000  109.50000
  100   104   106    35.00000  109.50000
  100   104   107    35.00000  109.50000
  104   100   101    80.00000  120.40000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    83    50.00000  109.50000
   84    90    91    83.00000  123.40000
   84    90    95    81.00000  111.40000
   90    95    96    35.00000  109.50000
   90    95    97    35.00000  109.50000
   90    95    98    35.00000  109.50000
   95    90    91    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   71    60    61    37.50000  110.70000
   71    60    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   62    59    60    58.35000  112.70000
   62    75    76    37.50000  110.70000
   62    75    77    37.50000  110.70000
   62    75    81    58.35000  112.70000
   62    78   102    60.00000  109.50000
   75    62    63    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    85    70.00000  112.02700
   75    81   102    75.00000  109.43000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    85    86    35.00000  117.00000
   81    85    92    70.00000  124.00000
   81   102    99    90.00000  108.56700
   81   102   103    45.00000  112.01100
   81   102    78    90.00000  108.56700
   85    81    82    35.00000  109.50000
   85    92    93    35.00000  120.00000
   85    92    99    80.00000  120.01400
   92    85    86    35.00000  120.00000
   92    99   102    85.00000  113.97000
   99    92    93    55.00000  109.52600
   99   102   103    35.00000  109.50000
   99   102    78    92.60000  111.55000
  102    81    82    45.00000  108.72000
  102    81    85    70.00000  112.02700
   78    62    63    35.00000  109.50000
   78    62    75    50.00000  109.50000
   78   102   103    35.00000  109.50000
   64    59    60    58.35000  112.70000
   64    59    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    51    52    83.00000  123.40000
   47    51    55    81.00000  111.40000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   55    51    52    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   42    39    40    50.00000  109.50000
   42    39    83    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
    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
   19    18    20    21   0.00000  1.0 1.0
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   82    81    85    86   0.33100  1.0 3.0
   82    81    85    92   0.00000  1.0 1.0
   82    81   102    99   0.23400  1.0 3.0
   82    81   102   103   0.15000  1.0 3.0
   82    81   102    78   0.23400  1.0 3.0
   85    81  -102    99   0.61850  1.0 1.0
   85    81  -102    99  -0.22750 -1.0 2.0
   85    81  -102    99   0.15300  1.0 3.0
   85    81   102   103   0.15000  1.0 3.0
   85    81   102    78   0.61850  1.0 1.0
   85    81   102    78  -0.22750 -1.0 2.0
   85    81   102    78   0.15300  1.0 3.0
   85    92   -99   102  -2.26850  1.0 1.0
   85    92   -99   102   3.39050 -1.0 2.0
   86    85    92    93   7.00000 -1.0 2.0
   86    85    92    99   7.00000 -1.0 2.0
   92    99  -102    81  -0.46850  1.0 1.0
   92    99  -102    81   0.09300 -1.0 2.0
   92    99  -102    81  -0.12850  1.0 3.0
   92    99   102   103   0.08050  1.0 3.0
   92    99   102    78  -0.48150  1.0 1.0
   92    99   102    78   0.09250 -1.0 2.0
   92    99   102    78  -0.12850  1.0 3.0
   93    92    99   102   0.50000 -1.0 2.0
   99   102    78    62  -0.53350  1.0 1.0
   99   102    78    62  -0.78350 -1.0 2.0
   99   102    78    62   0.33750  1.0 3.0
  102    81    85    86   0.00000  1.0 1.0
  102    81   -85    92   0.09850  1.0 1.0
  102    81   -85    92   0.15250 -1.0 2.0
  102    81   -85    92  -0.50650  1.0 3.0
  103   102    78    62   0.37050  1.0 3.0
   78    62    75    76   0.23400  1.0 3.0
   78    62    75    77   0.23400  1.0 3.0
   78    62   -75    81   0.62750  1.0 1.0
   78    62   -75    81  -0.30950 -1.0 2.0
   78    62   -75    81   0.27300  1.0 3.0
   64    59    60    61   0.15000  1.0 3.0
   64    59    60    68   0.56750  1.0 1.0
   64    59    60    68  -0.07550 -1.0 2.0
   64    59    60    68   0.20000  1.0 3.0
   64    59    60    71   0.56750  1.0 1.0
   64    59    60    71  -0.07550 -1.0 2.0
   64    59    60    71   0.20000  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59    62    75   0.56750  1.0 1.0
   64    59    62    75  -0.07550 -1.0 2.0
   64    59    62    75   0.20000  1.0 3.0
   64    59    62    78   0.62750  1.0 1.0
   64    59    62    78  -0.30950 -1.0 2.0
   64    59    62    78   0.27300  1.0 3.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    48   0.62750  1.0 1.0
   47    40    44    48  -0.30950 -1.0 2.0
   47    40    44    48   0.27300  1.0 3.0
   47    51    55    56   0.00000  1.0 1.0
   47    51    55    57   0.00000  1.0 1.0
   47    51    55    58   0.00000  1.0 1.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    58   0.00000  1.0 1.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    83    53   0.86500  1.0 1.0
   42    39    83    53  -0.17500 -1.0 2.0
   42    39    83    53   0.20800  1.0 3.0
   42    39    83    79   0.86500  1.0 1.0
   42    39    83    79  -0.17500 -1.0 2.0
   42    39    83    79   0.20800  1.0 3.0
   42    39    83    87   0.86500  1.0 1.0
   42    39    83    87  -0.17500 -1.0 2.0
   42    39    83    87   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   94   104   100   101  10.50000 -1.0 2.0
   84    95    90    91  10.50000 -1.0 2.0
   81    86    85    92   1.10000 -1.0 2.0
   99    93    92    85   1.10000 -1.0 2.0
   47    55    51    52  10.50000 -1.0 2.0
END
