* LIGAND DATABASE FILE (OPLS2005)
*
001     113   115    207    320     599
    1     0 S   NP   _N1_     1    30.19654    94.60611   -26.24441
    2     1 S   H    _HN1     2     1.02839    35.65722  -157.83399
    3     1 S   H    _H1_     3     1.02795   117.72273   -75.68943
    4     1 S   H    _H2_     4     1.02959    71.43154    25.74360
    5     1 S   CT   _CA1     5     1.50105   126.30225   127.82851
    6     5 S   HC   _HA1     6     1.09577   105.22345    95.93329
    7     5 S   CO3  _C1_     7     1.53786   112.52112   -24.27844
    8     7 S   O2Z  _O11     8     1.26358   114.98895   -42.64569
    9     7 S   O2Z  _O12     9     1.26245   114.92648   136.62597
   10     5 S   CT   _CB1    10     1.53094   107.43100  -146.16301
   11    10 S   HC   HB11    11     1.09831   109.31258   -51.21559
   12    10 S   HC   HB12    12     1.09816   110.44563    65.36108
   13    10 S   CT   _CG1    13     1.52962   112.60934  -172.31096
   14    13 S   HC   HG11    14     1.09595   110.48676   -65.43894
   15    13 S   HC   HG12    15     1.09666   109.91522    53.78428
   16    13 S   C    _CD1    16     1.51748   112.37622   174.22834
   17    16 S   O    _OE1    17     1.22705   123.33082     2.25247
   18    16 S   N    _N2_    18     1.38585   111.56376  -177.68988
   19    18 S   H    _HN2    19     1.01565   119.04797     0.92514
   20    18 S   CT1  _CA2    20     1.46079   123.44103   178.61732
   21    20 S   HC   _HA2    21     1.09704   109.47126    -4.02458
   22    20 S   C    _C2_    22     1.53425   108.27714  -119.60492
   23    22 S   O    _O2_    23     1.23035   122.22058  -145.76795
   24    20 S   CT   _CB2    32     1.53248   111.56463   118.14223
   25    24 S   HC   HB21    33     1.09474   109.85170    56.25006
   26    24 S   HC   HB22    34     1.09523   110.10459   175.13268
   27    22 S   N    _N3_    24     1.38522   113.53081    41.67053
   28    27 S   H    _HN3    25     1.01459   119.11464    -1.07009
   29    24 S   S    _SG2    35     1.82769   111.82131   -65.15585
   30    27 S   CT   _CA3    26     1.45410   123.04806   174.58029
   31    30 S   HC   HA31    27     1.09552   108.66929    33.73668
   32    30 S   HC   HA32    28     1.09459   107.21011   150.74305
   33    29 S   CT   _C13    36     1.85647    99.37284   179.16937
   34    33 S   HC   _H4_    37     1.09759   106.15712    33.84747
   35    30 S   CO3  _C3_    29     1.52982   113.81852   -89.07846
   36    35 S   O2Z  _O31    30     1.26335   115.83180   -29.43095
   37    35 S   O2Z  _O32    31     1.26430   114.64673   151.19219
   38    33 S   CM   _C11    38     1.52991   108.17855   -84.09756
   39    33 S   CT   _C14    64     1.55238   110.46651   149.87379
   40    39 S   HC   _H5_    65     1.09771   109.38293    62.54239
   41    38 S   CM   _C10    39     1.35008   119.23703   106.23092
   42    41 S   HC   _H20    40     1.09050   117.69440    -0.66852
   43    38 S   CT   _C12    60     1.50937   117.19958   -73.15543
   44    43 S   HC   _H21    61     1.09411   110.41950   -76.39462
   45    43 S   HC   _H22    62     1.09431   111.20770    43.63213
   46    43 S   HC   _H23    63     1.09214   113.20525   162.64065
   47    39 S   C    _C16    66     1.53440   110.80312   -57.85047
   48    47 S   O    _O33    67     1.22859   121.33289   -44.58558
   49    39 S   CT   _C15   110     1.53227   112.30452  -177.54553
   50    49 S   HC   _H24   111     1.09582   111.18134    57.08287
   51    49 S   HC   _H25   112     1.09582   110.76218   176.36892
   52    49 S   HC   _H26   113     1.09384   111.71427   -63.75182
   53    41 S   CT   _C8_    41     1.51190   128.22301  -179.76593
   54    53 S   HC   _H3_    42     1.09442   111.19250   -11.83495
   55    47 S   N    _N4_    68     1.38995   111.98855   135.67874
   56    55 S   H    _H27    69     1.01827   117.31693     9.17256
   57    53 S   CT   _C9_    43     1.53251   109.13959  -129.03954
   58    57 S   HC   _H17    44     1.09600   111.63064   -62.40183
   59    57 S   HC   _H18    45     1.09586   110.97277    58.08736
   60    57 S   HC   _H19    46     1.09545   110.66169   177.52852
   61    53 S   CT   _C7_    47     1.54209   111.30966   109.27233
   62    61 S   HC   _H15    48     1.09804   110.02860    56.31158
   63    61 S   HC   _H16    49     1.09775   108.90778   172.77702
   64    55 S   CM   _C17    70     1.38246   128.45614  -168.38836
   65    61 S   CT   _C6_    50     1.53417   113.12876   -66.35759
   66    65 S   HC   _H13    51     1.09556   110.31371    61.35461
   67    65 S   HC   _H14    52     1.09670   109.43973   -56.36868
   68    64 S   CM   _C18    71     1.34415   125.67197     2.24228
   69    68 S   HC   _H28    72     1.08618   119.79788    -3.18789
   70    65 S   CT   _C5_    53     1.52903   111.34248  -177.53764
   71    70 S   HC   _H11    54     1.09615   109.89444    58.39516
   72    70 S   HC   _H12    55     1.09622   109.82383   -59.37865
   73    68 S   CT   _C19    73     1.51940   126.28006   172.81643
   74    70 S   CT   _C4_    56     1.52067   111.47943   179.50347
   75    74 S   HC   _H8_    57     1.09398   111.01812    60.43061
   76    74 S   HC   _H9_    58     1.09444   110.27437  -179.85598
   77    74 S   HC   _H10    59     1.09467   111.03149   -60.07005
   78    73 S   C3T  _C20    74     1.50869   113.80758    14.36158
   79    78 S   HC   _H6_    75     1.08164   114.90337  -166.14874
   80    73 S   CM   _C23    81     1.52906   112.00408  -111.76869
   81    80 S   HC   _H29    82     1.09047   114.50055  -174.42219
   82    73 S   OH   _O39   108     1.43449   106.95925   131.79728
   83    82 S   HO   _H40   109     0.97276   108.21055    64.35184
   84    78 S   C3T  _C21    76     1.49671   119.08206   -13.69128
   85    84 S   HC   _H7_    77     1.08373   117.26703  -148.81248
   86    80 S   CM   _C24    83     1.34419   127.37551     6.19483
   87    86 S   HC   _H30    84     1.08682   120.49559    -0.81565
   88    64 S   CO4  _C22    78     1.49835   114.42203   179.28783
   89    88 S   O    _O34    79     1.22609   121.78601    -3.15138
   90    78 S   O3T  _O35    80     1.43634   115.94561    53.30935
   91    86 S   CM   _C25    85     1.44685   123.63035   178.64954
   92    91 S   HC   _H31    86     1.08731   117.45924    -4.46072
   93    91 S   CM   _C26    87     1.34178   122.30842   175.92311
   94    93 S   HC   _H32    88     1.08830   119.80676    -1.02584
   95    93 S   CM   _C27    89     1.44631   123.51758   178.43740
   96    95 S   HC   _H33    90     1.08703   117.18876    -4.51484
   97    95 S   CM   _C28    91     1.34054   122.27437   175.98629
   98    97 S   HC   _H34    92     1.08542   121.15791    -1.16298
   99    97 S   C    _C29    93     1.49350   120.60606   177.90894
  100    99 S   O    _O36    94     1.22456   120.93905   -10.45067
  101    99 S   N    _N5_    95     1.38553   110.86908   169.96152
  102   101 S   H    _H35    96     1.01907   117.20329    -5.81561
  103   101 S   CM   _C30    97     1.37048   129.13159   176.17725
  104   103 S   CMA  _C31    98     1.34438   134.08226    -1.33002
  105   104 S   OM   _O38    99     1.25852   135.93637    -0.04423
  106   104 S   CT   _C32   100     1.52054   111.86131  -179.80617
  107   106 S   HC   _H36   101     1.09839   111.54268   118.82482
  108   106 S   HC   _H37   102     1.09824   111.81597  -120.57963
  109   106 S   CT   _C33   103     1.52194   106.48412    -0.80259
  110   109 S   HC   _H38   104     1.09354   111.68779  -115.89312
  111   109 S   HC   _H39   105     1.09343   111.58031   119.92204
  112   103 S   CO4  _C34   106     1.48084   118.61555   179.67434
  113   112 S   O    _O37   107     1.22337   123.83973     1.70892
  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
  18   7   2   1   1  14  12   7  15   5   4   2   1   1  10   4
   4   2   1   1  12   8   8   3   7   3   2   1   9   5   4  11
   9   5   4  13   5   6   5   4  13   3   2   1   1  11   6  10
   4   4   1   4   3   6   3   2   1   1   6   3   6   3   6   3
   6   3   6   3   8   3  10   9   5   7   5   4   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    53    43    44    45    46    39    40    47    48    55    49    50    51    52  
   38    41    43    39    40    47    49  
   36    37  
   37  
    0  
   41    42    53    54    57    61    43    44    45    46    39    40    47    49  
   40    47    48    55    56    64    49    50    51    52    41    43  
   47    48    55    49    50    51    52  
   42    53    54    57    58    59    60    61    62    63    65    43    44    45    46  
   53    54    57    61    43  
   44    45    46    53  
   45    46  
   46  
    0  
   48    55    56    64    68    88    49    50    51    52  
   55    56    64    49  
   50    51    52    55  
   51    52  
   52  
    0  
   54    57    58    59    60    61    62    63    65    66    67    70  
   57    58    59    60    61    62    63    65  
   56    64    68    69    73    84    88    89  
   64    68    88  
   58    59    60    61    62    63    65  
   59    60    61  
   60    61  
   61  
   62    63    65    66    67    70    71    72    74  
   63    65    66    67    70  
   65    66    67    70  
   68    69    73    78    84    85    88    89    90    80    82  
   66    67    70    71    72    74    75    76    77  
   67    70    71    72    74  
   70    71    72    74  
   69    73    78    79    84    88    89    90    80    81    86    82    83  
   73    78    88    80    82  
   71    72    74    75    76    77  
   72    74    75    76    77  
   74    75    76    77  
   78    79    84    85    88    90    80    81    86    87    91    82    83  
   75    76    77  
   76    77  
   77  
    0  
   79    84    85    88    89    90    80    81    86    82    83  
   84    85    88    90    80    82  
   81    86    87    91    92    93    82    83    84    90  
   86    87    91    82  
   83    84    86    90  
    0  
   85    88    89    90  
   88    89    90  
   87    91    92    93    94    95  
   91    92    93  
   89    90  
   90  
    0  
   92    93    94    95    96    97  
   93    94    95  
   94    95    96    97    98    99  
   95    96    97  
   96    97    98    99   100   101  
   97    98    99  
   98    99   100   101   102   103  
   99   100   101  
  100   101   102   103   104   112  
  101   102   103  
  102   103   104   105   106   109   112   113  
  103   104   112  
  104   105   106   107   108   109   110   111   112   113  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   112  
  107   108   109   110   111   112   113  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  101   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  102   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  103   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
  104   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
  105   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
  106   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    43   317.000  1.510
   41    42   340.000  1.080
   41    53   317.000  1.510
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.090
   39    47   317.000  1.522
   39    49   268.000  1.529
   47    48   570.000  1.229
   47    55   490.000  1.335
   55    56   434.000  1.010
   55    64   400.000  1.384
   64    68   549.000  1.340
   64    88   320.000  1.462
   68    69   340.000  1.080
   68    73   317.000  1.510
   73    78   275.000  1.510
   73    80   317.000  1.510
   73    82   320.000  1.410
   78    79   340.000  1.088
   78    84   260.000  1.509
   78    90   335.000  1.432
   84    85   340.000  1.088
   84    88   290.000  1.496
   84    90   335.000  1.432
   88    89   570.000  1.229
   80    81   340.000  1.080
   80    86   549.000  1.340
   86    87   340.000  1.080
   86    91   380.000  1.444
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   380.000  1.444
   95    96   340.000  1.080
   95    97   549.000  1.340
   97    98   340.000  1.080
   97    99   410.000  1.444
   99   100   570.000  1.229
   99   101   490.000  1.335
  101   102   434.000  1.010
  101   103   400.000  1.384
  103   104   465.000  1.376
  103   112   320.000  1.462
  104   105   745.000  1.250
  104   106   270.000  1.512
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   317.000  1.522
  112   113   570.000  1.229
   82    83   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    47    63.00000  111.10000
   33    39    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    53    70.00000  124.00000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   41    53    54    35.00000  109.50000
   41    53    57    70.00000  112.02700
   41    53    61    70.00000  112.02700
   53    41    42    35.00000  117.00000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    65    58.35000  112.70000
   57    53    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    57    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    74    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   43    38    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    47    48    80.00000  120.40000
   39    47    55    70.00000  116.60000
   39    49    50    37.50000  110.70000
   39    49    51    37.50000  110.70000
   39    49    52    37.50000  110.70000
   47    39    40    35.00000  109.50000
   47    55    56    35.00000  119.80000
   47    55    64    70.00000  120.89900
   55    47    48    80.00000  122.90000
   55    64    68    75.00000  120.83300
   55    64    88    70.00000  117.92000
   64    55    56    45.00000  117.55000
   64    68    69    35.00000  120.00000
   64    68    73    70.00000  124.00000
   64    88    84    65.00000  118.62400
   64    88    89    80.00000  123.72100
   68    73    78    70.00000  112.02700
   68    73    80    70.00000  110.12100
   68    73    82    90.00000  110.39200
   73    68    69    35.00000  117.00000
   73    78    79    40.00000  115.04500
   73    78    84    60.00000  120.94000
   73    78    90    80.00000  116.47100
   73    80    81    35.00000  117.00000
   73    80    86    70.00000  124.00000
   73    82    83    55.00000  108.50000
   78    84    85    37.50000  117.20000
   78    84    88    65.00000  117.18000
   78    84    90    15.00000   60.43100
   78    90    84    15.00000   59.14900
   84    78    79    37.50000  117.20000
   84    88    89    75.00000  121.36600
   88    64    68    65.00000  118.96000
   88    84    85    40.00000  116.18000
   90    78    79    50.00000  114.27700
   90    78    84    15.00000   60.43100
   90    84    85    50.00000  114.27700
   90    84    88    80.00000  114.91000
   80    73    78    70.00000  112.02700
   80    86    87    35.00000  120.00000
   80    86    91    70.00000  123.01800
   86    80    81    35.00000  120.00000
   86    91    92    35.00000  120.00000
   86    91    93    70.00000  123.01800
   91    86    87    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    70.00000  123.01800
   93    91    92    35.00000  120.00000
   93    95    96    35.00000  120.00000
   93    95    97    70.00000  123.01800
   95    93    94    35.00000  120.00000
   95    97    98    35.00000  120.00000
   95    97    99    70.00000  118.70000
   97    95    96    35.00000  120.00000
   97    99   100    80.00000  125.30000
   97    99   101    80.00000  111.56200
   99    97    98    35.00000  119.70000
   99   101   102    35.00000  119.80000
   99   101   103    70.00000  120.89900
  101    99   100    80.00000  122.90000
  101   103   104    75.00000  120.83300
  101   103   112    70.00000  117.92000
  103   101   102    45.00000  117.55000
  103   104   105    65.00000  137.10300
  103   104   106    65.00000  122.18000
  103   112   109    65.00000  118.62400
  103   112   113    80.00000  123.72100
  104   106   107    45.00000  110.52000
  104   106   108    45.00000  110.52000
  104   106   109    70.00000  112.02700
  106   104   105    85.00000  112.85300
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  106   109   112    63.00000  111.10000
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  109   112   113    80.00000  120.40000
  111   109   110    33.00000  107.80000
  112   103   104    60.00000  125.92000
  112   109   110    35.00000  109.50000
  112   109   111    35.00000  109.50000
   82    73    78    50.00000  109.50000
   82    73    80    90.00000  110.39200
   49    39    40    37.50000  110.70000
   49    39    47    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
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  112   103  -104   106   7.00000 -1.0 2.0
   82    73    78    79   0.23400  1.0 3.0
   82    73    78    84   0.86500  1.0 1.0
   82    73    78    84  -0.17500 -1.0 2.0
   82    73    78    84   0.20800  1.0 3.0
   82    73    78    90   3.69350  1.0 1.0
   82    73    78    90  -1.82950 -1.0 2.0
   82    73    80    81   0.00000  1.0 1.0
   82    73    80    86   0.67800  1.0 1.0
   82    73    80    86   0.47050 -1.0 2.0
   82    73    80    86  -0.62500  1.0 3.0
   49    39    47    48   0.30150 -1.0 2.0
   49    39    47    55   1.39750  1.0 1.0
   49    39    47    55  -0.07950 -1.0 2.0
   49    39    47    55  -0.18750  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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41  15.00000 -1.0 2.0
   53    42    41    38  15.00000 -1.0 2.0
   39    55    47    48  10.50000 -1.0 2.0
   56    47    55    64   1.00000 -1.0 2.0
   55    88    64    68   1.10000 -1.0 2.0
   73    69    68    64   1.10000 -1.0 2.0
   64    84    88    89  10.50000 -1.0 2.0
   73    81    80    86  15.00000 -1.0 2.0
   91    87    86    80  15.00000 -1.0 2.0
   86    92    91    93  15.00000 -1.0 2.0
   95    94    93    91  15.00000 -1.0 2.0
   93    96    95    97  15.00000 -1.0 2.0
   99    98    97    95  15.00000 -1.0 2.0
   97   101    99   100  10.50000 -1.0 2.0
  102    99   101   103   1.00000 -1.0 2.0
  101   112   103   104   1.10000 -1.0 2.0
  106   105   104   103   1.10000 -1.0 2.0
  103   109   112   113  10.50000 -1.0 2.0
END
