* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    225    368     675
    1     0 S   NP   _N1_     1    28.87010    99.81694   -17.77751
    2     1 S   H    _HN1     2     1.02848    64.12530   137.97796
    3     1 S   H    _H1_     3     1.02788    84.98828  -109.47027
    4     1 S   H    _H2_     4     1.02945    58.86613     5.33017
    5     1 S   CT   _CA1     5     1.50153   162.67682    61.39389
    6     5 S   HC   _HA1     6     1.09604   105.13502   129.15675
    7     5 S   CO3  _C1_     7     1.53757   111.82021     9.54915
    8     7 S   O2Z  _O11     8     1.26316   115.15408   -58.82344
    9     7 S   O2Z  _O12     9     1.26240   114.79914   119.76272
   10     5 S   CT   _CB1    10     1.53102   107.29524  -113.62998
   11    10 S   HC   HB11    11     1.09835   109.08309   -52.77992
   12    10 S   HC   HB12    12     1.09802   110.64398    63.65475
   13    10 S   CT   _CG1    13     1.53036   112.68205  -173.84754
   14    13 S   HC   HG11    14     1.09564   110.39856   -67.61549
   15    13 S   HC   HG12    15     1.09656   109.93957    51.59260
   16    13 S   C    _CD1    16     1.51912   112.14462   171.98786
   17    16 S   O    _OE1    17     1.22776   123.18440     5.03201
   18    16 S   N    _N2_    18     1.38550   111.91800  -175.05462
   19    18 S   H    _HN2    19     1.01563   119.03030     3.81690
   20    18 S   CT1  _CA2    20     1.45972   122.83466   176.60679
   21    20 S   HC   _HA2    21     1.09728   108.98301    22.92130
   22    20 S   C    _C2_    22     1.52923   106.96093   -94.00166
   23    22 S   O    _O2_    23     1.22977   123.07005   -26.13246
   24    20 S   CT   _CB2    32     1.53128   112.15155   146.15300
   25    24 S   HC   HB21    33     1.09468   110.06217    55.54234
   26    24 S   HC   HB22    34     1.09530   110.68395   173.60257
   27    22 S   N    _N3_    24     1.38496   112.54441   156.52490
   28    27 S   H    _HN3    25     1.01655   120.34723    -2.07698
   29    24 S   S    _SG2    35     1.82691   110.74366   -67.42845
   30    27 S   CT   _CA3    26     1.45356   122.50222   178.64217
   31    30 S   HC   HA31    27     1.09568   107.82113   -55.61685
   32    30 S   HC   HA32    28     1.09564   107.60343    60.72258
   33    29 S   CT   _C22    36     1.84876   100.38977   143.55453
   34    33 S   HC   _H9_    37     1.10069   103.41831    39.79314
   35    30 S   CO3  _C3_    29     1.52896   114.31073  -177.52022
   36    35 S   O2Z  _O31    30     1.26340   116.05378     0.23070
   37    35 S   O2Z  _O32    31     1.26435   114.41436  -179.81337
   38    33 S   CT   _C21    38     1.54990   110.15544   -74.72278
   39    38 S   HC   _H32    39     1.09879   108.55332   159.28069
   40    38 S   HC   _H33    40     1.09556   110.45049    44.99431
   41    38 S   CT   _C20    41     1.53879   114.54568   -79.33909
   42    41 S   HC   _H8_    42     1.09315   106.97666    67.79356
   43    41 S   CT   _C15    43     1.53617   111.24089  -174.46360
   44    43 S   HC   _H6_    44     1.10309   106.66144    65.28785
   45    41 S   CT   _C19    60     1.56311   112.00349   -52.88584
   46    45 S   HC   _H7_    61     1.10036   106.77157   -61.42861
   47    43 S   CT   _C14    45     1.52037   118.03282   -53.72838
   48    47 S   HC   _H26    46     1.09481   112.17927    77.45448
   49    47 S   HC   _H27    47     1.09520   111.62416   -43.25591
   50    45 S   CT   _C24    62     1.58295   111.72424    55.44701
   51    47 S   CT   _C13    48     1.53180   103.90383  -162.37717
   52    51 S   HC   _H24    49     1.09541   109.39062   131.84168
   53    51 S   HC   _H25    50     1.09604   110.32680  -110.13273
   54    50 S   CT   _C25    63     1.56870   111.67390  -175.73791
   55    54 S   HC   _H34    64     1.09715   110.50061    54.06383
   56    54 S   HC   _H35    65     1.09657   110.62580   -62.49067
   57    50 S   CT   _C29    78     1.56226   108.58198    68.76147
   58    57 S   HC   _H41    79     1.09012   113.50160   -45.74028
   59    57 S   HC   _H42    80     1.09255   112.96670  -167.86657
   60    57 S   HC   _H43    81     1.09647   110.99893    73.38015
   61    51 S   CT   _C12    51     1.55825   107.45388     9.92561
   62    61 S   HC   _H5_    52     1.10084   106.99152   -94.15740
   63    54 S   CT   _C26    66     1.53411   112.91624   176.79564
   64    63 S   HC   _H36    67     1.09714   110.14915    70.98624
   65    63 S   HC   _H37    68     1.09758   109.29746  -174.69171
   66    43 S   CT   _C16    53     1.55115   113.47090  -175.61711
   67    63 S   CT   _C27    69     1.52746   113.67657   -52.55361
   68    67 S   HC   _H10    70     1.09648   108.86116   -74.26306
   69    61 S   CT   _C5_    86     1.55903   111.83659   148.85374
   70    69 S   HC   _H3_    87     1.09738   108.71519   -58.86496
   71    66 S   CT   _C17    54     1.53974   106.30177   -62.53897
   72    71 S   HC   _H28    55     1.09773   109.92142   -64.41109
   73    71 S   HC   _H29    56     1.09293   111.54027   177.96414
   74    67 S   CT   _C28    71     1.54236   113.24460    48.48710
   75    74 S   HC   _H38    72     1.09611   108.09872    73.85099
   76    74 S   HC   _H39    73     1.10124   108.48839  -174.04787
   77    67 S   OH   _O34    76     1.42750   108.42662   170.05784
   78    77 S   HO   _H40    77     0.97236   107.16855   179.73020
   79    66 S   CT   _C30    82     1.54761   113.58661    58.80729
   80    79 S   HC   _H44    83     1.09315   112.12033    61.81247
   81    79 S   HC   _H45    84     1.09292   112.94242   -58.84147
   82    79 S   HC   _H46    85     1.09441   111.14220  -178.29889
   83    69 S   CT   _C4_    88     1.53216   112.10636  -178.13030
   84    83 S   HC   _H11    89     1.09490   111.22942   -53.95670
   85    83 S   HC   _H12    90     1.09134   111.38810    67.40129
   86    83 S   HC   _H13    91     1.09308   112.06031  -174.85814
   87    69 S   CT   _C6_    92     1.55233   110.31118    58.77502
   88    87 S   HC   _H14    93     1.09740   109.59554    65.85599
   89    87 S   HC   _H15    94     1.09583   109.83600   -50.22125
   90    71 S   CT   _C18    57     1.54010   112.31968    56.64839
   91    90 S   HC   _H30    58     1.09408   108.74149    70.34399
   92    90 S   HC   _H31    59     1.09576   107.45182  -174.97917
   93    33 S   CT   _C23    74     1.57500   115.06050   157.88343
   94    93 S   OM   _O35    75     1.33599   104.41735  -164.19647
   95    87 S   CT   _C7_    95     1.53351   114.11112  -170.80781
   96    95 S   HC   _H16    96     1.09656   109.47364    51.84513
   97    95 S   HC   _H17    97     1.09346   110.96834   -65.54034
   98    95 S   C3T  _C8_    98     1.49759   110.90782   171.15460
   99    98 S   HC   _H4_    99     1.08311   112.55670   -72.01722
  100    98 S   C3T  _C9_   100     1.51982   124.07580    83.40827
  101    98 S   O3T  _O33   101     1.43551   114.40742   150.18249
  102   100 S   CT   _C10   102     1.49701   118.41464  -158.78654
  103   102 S   HC   _H18   103     1.09488   110.58521  -143.65305
  104   102 S   HC   _H19   104     1.09468   110.19125    96.62383
  105   102 S   HC   _H20   105     1.09529   111.97777   -23.46732
  106   100 S   CT   _C11   106     1.49627   121.81633    -0.48011
  107   106 S   HC   _H21   107     1.09520   110.45705   154.54210
  108   106 S   HC   _H22   108     1.09382   112.80437    34.67513
  109   106 S   HC   _H23   109     1.09457   110.10391   -86.20932
  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  10   5   4   3
  17   8   2   1   1  15   6   5  20   8  22   9  21   8  11   6
   5  20  11   5   4  16   7   6   8   3   2   1  20   7  10   5
   4  14   8   6  14   8   9   5   4   6   4   3   2   1   4   2
   1   1   7   3   2   1   9   5   4   3   1   1   1   1   8   5
   4  11   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    93    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    74    93    94  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    74    75    76    93    94    57  
   38    39    40    41    50    74    93    94  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    90    45    46    50    74    93    94  
   40    41    42    43    45    93  
   41    42    43    45    93  
   42    43    44    47    48    49    51    61    66    71    90    91    92    45    46    50    54    93    57    79  
   43    44    47    66    90    45    46    50  
   44    47    48    49    51    52    53    61    62    66    71    72    73    90    45    46    50    79    80    81    82    69  
   47    48    49    51    61    66    71    45    79  
   46    50    54    55    56    63    74    93    94    57    58    59    60    47    66    71    72    73    90    91    92  
   50    54    93    57    71    90    91    92  
   48    49    51    52    53    61    62    66    71    79    69  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    74    75    76    93    94    57    58    59    60    71    90    91    92  
   52    53    61    62    66    71    79    69    70    83    87  
   53    61    62    66    69  
   61    62    66    69  
   55    56    63    64    65    67    68    74    93    94    77    57    58    59    60    90  
   56    63    64    65    67    93    57  
   63    64    65    67    93    57  
   58    59    60    63    74    90    93    94  
   59    60    93  
   60    93  
   93  
   62    66    71    72    73    90    79    80    81    82    69    70    83    84    85    86    87    88    89    95  
   66    71    79    69    70    83    87  
   64    65    67    68    74    75    76    93    77    78  
   65    67    68    74    77  
   67    68    74    77  
   71    72    73    90    91    92    79    80    81    82    69    70    83    87  
   68    74    75    76    93    94    77    78  
   74    75    76    93    77    78  
   70    83    84    85    86    87    88    89    95    96    97    98    71    79  
   83    84    85    86    87    88    89    95  
   72    73    90    91    92    79    80    81    82  
   73    90    91    92    79  
   90    91    92    79  
   75    76    93    94    77    78  
   76    93    94    77  
   93    94    77  
   78    93  
    0  
   80    81    82    90  
   81    82  
   82  
    0  
   84    85    86    87    88    89    95  
   85    86    87  
   86    87  
   87  
   88    89    95    96    97    98    99   100   101  
   89    95    96    97    98  
   95    96    97    98  
   91    92    93  
   92  
    0  
   94  
    0  
   96    97    98    99   100   101   102   106  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101   102   103   104   105   106   107   108   109  
  100   101   102   106  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
  101   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   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   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    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   268.000  1.529
   33    93   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    69   268.000  1.529
   66    71   268.000  1.529
   66    79   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    93   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    74   268.000  1.529
   67    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    93   268.000  1.529
   93    94   570.000  1.307
   77    78   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   340.000  1.090
   69    83   268.000  1.529
   69    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   275.000  1.510
   98    99   340.000  1.088
   98   100   260.000  1.509
   98   101   335.000  1.432
  100   101   335.000  1.432
  100   102   275.000  1.510
  100   106   275.000  1.510
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   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  111.63000
   29    33    93    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    93    50    58.35000  112.70000
   33    93    74    58.35000  112.70000
   33    93    94    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    66    58.35000  112.70000
   41    45    90    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    71    58.35000  112.70000
   43    66    79    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    66    58.35000  112.70000
   51    61    69    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    71    58.35000  112.70000
   61    66    79    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    83    58.35000  112.70000
   61    69    87    58.35000  112.70000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    90    58.35000  112.70000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   66    79    82    37.50000  110.70000
   71    90    91    37.50000  110.70000
   71    90    92    37.50000  110.70000
   71    90    45    58.35000  112.70000
   73    71    72    33.00000  107.80000
   90    71    72    37.50000  110.70000
   90    71    73    37.50000  110.70000
   90    45    46    37.50000  110.70000
   90    45    50    58.35000  112.70000
   92    90    91    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    90    91    37.50000  110.70000
   45    90    92    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    93    58.35000  112.70000
   45    50    57    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   50    93    74    58.35000  112.70000
   50    93    94    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    74    58.35000  112.70000
   63    67    77    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    93    58.35000  112.70000
   67    77    78    55.00000  108.50000
   74    67    68    37.50000  110.70000
   74    93    94    50.00000  109.50000
   76    74    75    33.00000  107.80000
   93    33    34    37.50000  110.70000
   93    33    38    58.35000  112.70000
   93    50    54    58.35000  112.70000
   93    74    75    37.50000  110.70000
   93    74    76    37.50000  110.70000
   77    67    68    35.00000  109.50000
   77    67    74    50.00000  109.50000
   57    50    54    58.35000  112.70000
   57    50    93    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
   79    66    71    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    66    58.35000  112.70000
   69    83    84    37.50000  110.70000
   69    83    85    37.50000  110.70000
   69    83    86    37.50000  110.70000
   69    87    88    37.50000  110.70000
   69    87    89    37.50000  110.70000
   69    87    95    58.35000  112.70000
   83    69    70    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    69    70    37.50000  110.70000
   87    69    83    58.35000  112.70000
   87    95    96    37.50000  110.70000
   87    95    97    37.50000  110.70000
   87    95    98    70.00000  112.37300
   89    87    88    33.00000  107.80000
   95    87    88    37.50000  110.70000
   95    87    89    37.50000  110.70000
   95    98    99    40.00000  115.04500
   95    98   100    60.00000  120.94000
   95    98   101    80.00000  116.47100
   97    95    96    33.00000  107.80000
   98    95    96    45.00000  109.38400
   98    95    97    45.00000  109.38400
   98   100   101    15.00000   60.43100
   98   100   102    60.00000  120.94000
   98   100   106    60.00000  120.94000
   98   101   100    15.00000   59.14900
  100    98    99    37.50000  117.20000
  100   102   103    45.00000  109.38400
  100   102   104    45.00000  109.38400
  100   102   105    45.00000  109.38400
  100   106   107    45.00000  109.38400
  100   106   108    45.00000  109.38400
  100   106   109    45.00000  109.38400
  101    98    99    50.00000  114.27700
  101    98   100    15.00000   60.43100
  102   100   101    80.00000  116.47100
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    80.00000  116.47100
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    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
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   64    63    67    68   0.15000  1.0 3.0
   64    63    67    74   0.15000  1.0 3.0
   64    63    67    77   0.23400  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    74   0.15000  1.0 3.0
   65    63    67    77   0.23400  1.0 3.0
   67    74    93    33   0.56750  1.0 1.0
   67    74    93    33  -0.07550 -1.0 2.0
   67    74    93    33   0.20000  1.0 3.0
   67    74   -93    50   0.56750  1.0 1.0
   67    74   -93    50  -0.07550 -1.0 2.0
   67    74   -93    50   0.20000  1.0 3.0
   67    74    93    94   0.62750  1.0 1.0
   67    74    93    94  -0.30950 -1.0 2.0
   67    74    93    94   0.27300  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    93   0.15000  1.0 3.0
   68    67    77    78   0.19450  1.0 3.0
   74    67    77    78  -0.11600  1.0 1.0
   74    67    77    78  -0.09450 -1.0 2.0
   74    67    77    78   0.21250  1.0 3.0
   75    74    93    33   0.15000  1.0 3.0
   75    74    93    50   0.15000  1.0 3.0
   75    74    93    94   0.23400  1.0 3.0
   76    74    93    33   0.15000  1.0 3.0
   76    74    93    50   0.15000  1.0 3.0
   76    74    93    94   0.23400  1.0 3.0
   93    33    38    39   0.15000  1.0 3.0
   93    33    38    40   0.15000  1.0 3.0
   93    33   -38    41   0.56750  1.0 1.0
   93    33   -38    41  -0.07550 -1.0 2.0
   93    33   -38    41   0.20000  1.0 3.0
   93    50    54    55   0.15000  1.0 3.0
   93    50    54    56   0.15000  1.0 3.0
   93    50   -54    63   0.56750  1.0 1.0
   93    50   -54    63  -0.07550 -1.0 2.0
   93    50   -54    63   0.20000  1.0 3.0
   93    50    57    58   0.15000  1.0 3.0
   93    50    57    59   0.15000  1.0 3.0
   93    50    57    60   0.15000  1.0 3.0
   77    67    74    75   0.23400  1.0 3.0
   77    67    74    76   0.23400  1.0 3.0
   77    67    74    93   0.86500  1.0 1.0
   77    67    74    93  -0.17500 -1.0 2.0
   77    67    74    93   0.20800  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.56750  1.0 1.0
   57    50    54    63  -0.07550 -1.0 2.0
   57    50    54    63   0.20000  1.0 3.0
   57    50    93    33   0.56750  1.0 1.0
   57    50    93    33  -0.07550 -1.0 2.0
   57    50    93    33   0.20000  1.0 3.0
   57    50    93    74   0.56750  1.0 1.0
   57    50    93    74  -0.07550 -1.0 2.0
   57    50    93    74   0.20000  1.0 3.0
   57    50    93    94   0.62750  1.0 1.0
   57    50    93    94  -0.30950 -1.0 2.0
   57    50    93    94   0.27300  1.0 3.0
   79    66    71    72   0.15000  1.0 3.0
   79    66    71    73   0.15000  1.0 3.0
   79    66    71    90   0.56750  1.0 1.0
   79    66    71    90  -0.07550 -1.0 2.0
   79    66    71    90   0.20000  1.0 3.0
   69    61    66    43   0.56750  1.0 1.0
   69    61    66    43  -0.07550 -1.0 2.0
   69    61    66    43   0.20000  1.0 3.0
   69    61    66    71   0.56750  1.0 1.0
   69    61    66    71  -0.07550 -1.0 2.0
   69    61    66    71   0.20000  1.0 3.0
   69    61    66    79   0.56750  1.0 1.0
   69    61    66    79  -0.07550 -1.0 2.0
   69    61    66    79   0.20000  1.0 3.0
   69    87    95    96   0.15000  1.0 3.0
   69    87    95    97   0.15000  1.0 3.0
   69    87    95    98   0.47050  1.0 1.0
   69    87    95    98   0.03900 -1.0 2.0
   69    87    95    98   0.20100  1.0 3.0
   70    69    83    84   0.15000  1.0 3.0
   70    69    83    85   0.15000  1.0 3.0
   70    69    83    86   0.15000  1.0 3.0
   70    69    87    88   0.15000  1.0 3.0
   70    69    87    89   0.15000  1.0 3.0
   70    69    87    95   0.15000  1.0 3.0
   83    69    87    88   0.15000  1.0 3.0
   83    69    87    89   0.15000  1.0 3.0
   83    69    87    95   0.56750  1.0 1.0
   83    69    87    95  -0.07550 -1.0 2.0
   83    69    87    95   0.20000  1.0 3.0
   87    69    83    84   0.15000  1.0 3.0
   87    69    83    85   0.15000  1.0 3.0
   87    69    83    86   0.15000  1.0 3.0
   87    95    98    99   0.15000  1.0 3.0
   87    95    98   100   0.07850  1.0 1.0
   87    95    98   100  -0.03950 -1.0 2.0
   87    95    98   100   0.67350  1.0 3.0
   87    95    98   101   0.02550  1.0 1.0
   87    95    98   101  -0.02600 -1.0 2.0
   87    95    98   101   1.20400  1.0 3.0
   88    87    95    96   0.15000  1.0 3.0
   88    87    95    97   0.15000  1.0 3.0
   88    87    95    98   0.15000  1.0 3.0
   89    87    95    96   0.15000  1.0 3.0
   89    87    95    97   0.15000  1.0 3.0
   89    87    95    98   0.15000  1.0 3.0
   95    98  -100   101   0.02550  1.0 1.0
   95    98  -100   101  -0.02600 -1.0 2.0
   95    98  -100   101   1.20400  1.0 3.0
   95    98   100   102   0.56750  1.0 1.0
   95    98   100   102  -0.07550 -1.0 2.0
   95    98   100   102   0.20000  1.0 3.0
   95    98   100   106   0.56750  1.0 1.0
   95    98   100   106  -0.07550 -1.0 2.0
   95    98   100   106   0.20000  1.0 3.0
   95    98  -101   100   0.06250  1.0 1.0
   95    98  -101   100  -0.01100 -1.0 2.0
   95    98  -101   100   0.28050  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.23400  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.23400  1.0 3.0
   98   100   102   103   0.15000  1.0 3.0
   98   100   102   104   0.15000  1.0 3.0
   98   100   102   105   0.15000  1.0 3.0
   98   100   106   107   0.15000  1.0 3.0
   98   100   106   108   0.15000  1.0 3.0
   98   100   106   109   0.15000  1.0 3.0
   99    98  -100   101   0.23400  1.0 3.0
   99    98   100   102   0.15000  1.0 3.0
   99    98   100   106   0.15000  1.0 3.0
   99    98  -101   100   0.36800  1.0 3.0
  101    98  -100   102   0.02550  1.0 1.0
  101    98  -100   102  -0.02600 -1.0 2.0
  101    98  -100   102   1.20400  1.0 3.0
  101    98  -100   106   0.02550  1.0 1.0
  101    98  -100   106  -0.02600 -1.0 2.0
  101    98  -100   106   1.20400  1.0 3.0
  101   100   102   103   0.23400  1.0 3.0
  101   100   102   104   0.23400  1.0 3.0
  101   100   102   105   0.23400  1.0 3.0
  101   100   106   107   0.23400  1.0 3.0
  101   100   106   108   0.23400  1.0 3.0
  101   100   106   109   0.23400  1.0 3.0
  102   100  -101    98   0.06250  1.0 1.0
  102   100  -101    98  -0.01100 -1.0 2.0
  102   100  -101    98   0.28050  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100  -101    98   0.06250  1.0 1.0
  106   100  -101    98  -0.01100 -1.0 2.0
  106   100  -101    98   0.28050  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
