* LIGAND DATABASE FILE (OPLS2005)
*
001     113   117    221    346     649
    1     0 S   NP   _N1_     1    29.23496    92.06124   -23.42502
    2     1 S   H    _HN1     2     1.02777   105.52146   -75.02185
    3     1 S   H    _H1_     3     1.02976    94.20986    35.26539
    4     1 S   H    _H2_     4     1.02820    15.21163  -176.52966
    5     1 S   CT   _CA1     5     1.50162   124.22555   153.35827
    6     5 S   HC   _HA1     6     1.09582   105.20831    67.31622
    7     5 S   CO3  _C1_     7     1.53768   112.46085   -52.71404
    8     7 S   O2Z  _O11     8     1.26345   115.03278   -41.88926
    9     7 S   O2Z  _O12     9     1.26257   114.91192   137.20232
   10     5 S   CT   _CB1    10     1.53044   107.29957  -174.95259
   11    10 S   HC   HB11    11     1.09829   109.07781   -52.12806
   12    10 S   HC   HB12    12     1.09833   110.43202    64.23571
   13    10 S   CT   _CG1    13     1.53043   112.91274  -173.45174
   14    13 S   HC   HG11    14     1.09589   110.29583   -65.12718
   15    13 S   HC   HG12    15     1.09631   110.21109    54.20625
   16    13 S   C    _CD1    16     1.51742   112.02203   174.17126
   17    16 S   O    _OE1    17     1.22703   123.05886   -10.93493
   18    16 S   N    _N2_    18     1.38626   111.96242   170.10898
   19    18 S   H    _HN2    19     1.01568   119.20325     1.31938
   20    18 S   CT1  _CA2    20     1.46086   123.02185  -179.26645
   21    20 S   HC   _HA2    21     1.09530   109.03420    -6.75029
   22    20 S   C    _C2_    22     1.53335   108.81459  -121.34398
   23    22 S   O    _O2_    23     1.23012   122.20316  -145.98223
   24    20 S   CT   _CB2    32     1.53495   111.79563   115.63503
   25    24 S   HC   HB21    33     1.09654   109.49057    61.67176
   26    24 S   HC   HB22    34     1.09529   111.06534   178.97130
   27    22 S   N    _N3_    24     1.38496   113.27699    41.83157
   28    27 S   H    _HN3    25     1.01517   118.88561    -1.46032
   29    24 S   S    _SG2    35     1.83103   114.25576   -57.65909
   30    27 S   CT   _CA3    26     1.45417   123.57580   173.51430
   31    30 S   HC   HA31    27     1.09511   109.35254    22.58220
   32    30 S   HC   HA32    28     1.09491   107.13016   139.73223
   33    29 S   CT   _C18    36     1.83455   100.35523   -71.08672
   34    33 S   HC   _H3_    37     1.09058   107.68634    34.23650
   35    30 S   CO3  _C3_    29     1.52963   112.93080  -100.86992
   36    35 S   O2Z  _O31    30     1.26412   115.40995   -42.88868
   37    35 S   O2Z  _O32    31     1.26351   114.96211   137.96152
   38    33 S   CM   _C4_    38     1.50726   109.42557   -85.59235
   39    38 S   HC   _H40    39     1.08673   116.97273   -64.25096
   40    33 S   CM   _C7_    94     1.51132   108.66719   153.36102
   41    40 S   HC   _H43    95     1.09220   115.35428    53.27029
   42    38 S   CM   _C5_    40     1.34298   122.84066   118.92511
   43    42 S   HC   _H41    41     1.08876   117.44228    -3.26381
   44    42 S   CT   _C20    42     1.51050   128.43113   175.12677
   45    44 S   HC   _H60    43     1.09871   107.61774   120.29924
   46    44 S   OS   _O36    44     1.43523   106.48850  -121.72311
   47    44 S   CT   _C32   106     1.54433   116.80138    -0.70721
   48    47 S   HC   _H77   107     1.09629   109.88597    55.62931
   49    46 S   CT   _C15    45     1.42464   114.11801   -96.64291
   50    49 S   HC   _H52    46     1.09656   110.78020    39.20034
   51    49 S   HC   _H53    47     1.09431   108.92844   -79.63335
   52    47 S   CT   _C31   108     1.52689   111.54749   176.58476
   53    52 S   HC   _H74   109     1.09545   111.37557    64.08070
   54    52 S   HC   _H75   110     1.09414   111.30119   -57.60282
   55    52 S   HC   _H76   111     1.09554   110.29560  -177.94529
   56    47 S   OH   _O40   112     1.42803   110.33754   -63.51165
   57    56 S   HO   _H79   113     0.97209   107.67187   178.36506
   58    49 S   CT   _C13    48     1.52865   108.94519   158.48680
   59    58 S   HC   _H48    49     1.09690   109.19746   177.05071
   60    58 S   HC   _H49    50     1.09157   106.90085   -68.24704
   61    58 S   CT   _C22    51     1.54484   115.07943    52.63683
   62    61 S   HC   _H62    52     1.09769   109.25787   -47.47462
   63    61 S   CT   _C21    53     1.54687   110.46973  -165.83250
   64    63 S   HC   _H61    54     1.09507   112.05570   -40.62061
   65    61 S   CT   _C29   102     1.53499   110.03541    69.80512
   66    65 S   HC   _H68   103     1.09520   111.07296    64.01822
   67    65 S   HC   _H69   104     1.09420   111.38626   -56.53965
   68    65 S   HC   _H70   105     1.09481   111.37126  -175.35341
   69    63 S   CO4  _C10    55     1.52489   112.56573    83.33428
   70    69 S   O    _O33    56     1.22595   123.78702    97.28578
   71    63 S   OH   _O39   100     1.42919   110.70751  -159.39112
   72    71 S   HO   _H78   101     0.97353   107.66826   -60.64898
   73    69 S   OS   _O35    57     1.36479   110.97872   -84.18703
   74    73 S   CT   _C16    58     1.44320   115.47222  -172.91792
   75    74 S   HC   _H54    59     1.09650   107.86189    50.30199
   76    74 S   HC   _H55    60     1.09263   107.97313   -64.85018
   77    74 S   CT   _C25    61     1.57197   111.70942   171.68754
   78    77 S   CT   _C12    62     1.56368   108.47630   -42.00958
   79    78 S   HC   _H46    63     1.09329   110.52921  -177.61887
   80    78 S   HC   _H47    64     1.09508   111.69767    64.40460
   81    77 S   CT   _C26    81     1.61148   111.26820    82.32709
   82    78 S   CT   _C11    65     1.53598   113.22056   -58.81706
   83    82 S   HC   _H44    66     1.09712   108.01907  -166.46912
   84    82 S   HC   _H45    67     1.09613   110.34444    77.39297
   85   104 S   C3T  _C27    82     1.48321   109.14764   -61.41298
   86    81 S   CT   _C30    87     1.52747   113.20732   -58.79241
   87    86 S   HC   _H71    88     1.09343   111.96586   -55.27790
   88    86 S   HC   _H72    89     1.09364   112.24346  -174.48033
   89    86 S   HC   _H73    90     1.09330   110.86312    66.49987
   90    82 S   CM   _C8_    68     1.50541   113.15381   -45.04785
   91    85 S   C3T  _C17    83     1.51514   121.18070  -138.44139
   92    91 S   HC   _H56    84     1.08055   120.84551  -148.48319
   93    91 S   HC   _H57    85     1.08305   118.77838     1.57917
   94    90 S   CM   _C6_    69     1.34381   121.85899    13.37752
   95    94 S   HC   _H42    70     1.08759   119.54067  -178.59946
   96    85 S   O3T  _O37    86     1.42037   119.04088   -69.69286
   97    90 S   CT   _C28    96     1.50005   116.15456  -166.52786
   98    97 S   HC   _H65    97     1.09482   110.21877   -59.12509
   99    97 S   HC   _H66    98     1.09505   112.17228  -179.14476
  100    97 S   HC   _H67    99     1.09475   110.32488    60.73515
  101    77 S   CT   _C19    71     1.57376   108.92318  -158.17261
  102   101 S   HC   _H59    72     1.09709   109.25991   -43.60784
  103   101 S   OS   _O38    73     1.43888   113.18012  -164.09770
  104   103 S   CT   _C24    74     1.43175   115.90469    47.93568
  105   104 S   HC   _H64    75     1.09403   108.10345   174.09230
  106   104 S   CT   _C14    76     1.53337   112.05366    50.51822
  107   106 S   HC   _H50    77     1.09661   109.76070   152.63920
  108   106 S   HC   _H51    78     1.09451   112.01622    32.46715
  109   106 S   CT   _C23    79     1.55766   104.93314   -88.77007
  110   109 S   HC   _H63    80     1.09253   111.47960   121.47540
  111   109 S   OS   _O34    91     1.43868   108.74949  -117.20042
  112   111 S   CMA  _C9_    92     1.41727   116.87526   -90.24489
  113   112 S   OM   _O30    93     1.26820   124.93009    24.85504
  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   8   5   4   3
  11   6   2   1   1  10   4   6   3   9   4  14   6  11   8   6
   9   5   4   5   3   2   1   1   1  12   5   4  12   8  11   6
   5   2   1   1   8   3   2   1   7  15   5   4  25  15   7   6
  23  10   4   3  18  11   3   2   1   9   8   3   2   9   4   5
   4   2   1   1   6   2   6   7   4   6   4   3   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42   112    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44   111   112   113    40    41  
   38    39    42   112    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46   112    40    41    47  
   42    43    44    40  
   41    42   109   111   112   113  
  111   112   113  
   43    44    45    46    49    47    48    52    56  
   44    45    46    47  
   45    46    49    50    51    58    47    48    52    53    54    55    56    57  
   46    49    47    48    52    56  
   49    50    51    58    59    60    61    47    48    52    56  
   48    52    53    54    55    56    57    49  
   52    53    54    55    56    57  
   50    51    58    59    60    61    62    63    65  
   51    58    59    60    61  
   58    59    60    61  
   53    54    55    56    57  
   54    55    56  
   55    56  
   56  
   57  
    0  
   59    60    61    62    63    64    69    71    65    66    67    68  
   60    61    62    63    65  
   61    62    63    65  
   62    63    64    69    70    73    71    72    65    66    67    68  
   63    64    69    71    65    66    67    68  
   64    69    70    73    74    71    72    65    66    67    68  
   69    70    73    71    72    65  
   66    67    68    69    71  
   67    68  
   68  
    0  
   70    73    74    75    76    77    71    72  
   73    74    71  
   72    73  
    0  
   74    75    76    77    78   101    81  
   75    76    77    78    79    80    82    94   101   102   103   109    81    85    86  
   76    77    78   101    81  
   77    78   101    81  
   78    79    80    82    83    84    90    94    95   101   102   103   104   106   109   110    81    85    91    96    86    87    88    89   111  
   79    80    82    83    84    90    94   101   102   103   109    81    85    86    97  
   80    82    83    84    90   101    81  
   82    83    84    90   101    81  
   85    91    92    93    96    86    87    88    89   111   112    82    94   101   102   103   104   105   106   107   108   109   110  
   83    84    90    94    95   101    97    98    99   100  
   84    90    94    97  
   90    94    97  
   91    92    93    96    86    87    88    89   111   101   103   104   105   106   107   108   109   110  
   87    88    89   111    91    96   101   104   106   109   110  
   88    89   109  
   89   109  
  109  
   94    95   101   102   103    97    98    99   100  
   92    93    96   103   104   105   106   109  
   93    96   104  
   96   104  
   95   101   102   103   104    97    98    99   100  
  101   102   103    97  
  103   104   105   106   109  
   98    99   100   101  
   99   100  
  100  
    0  
  102   103   104   105   106   109  
  103   104  
  104   105   106   107   108   109  
  105   106   107   108   109   110   111  
  106   107   108   109  
  107   108   109   110   111   112  
  108   109   110   111  
  109   110   111  
  110   111   112   113  
  111   112  
  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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   91   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  111   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
  112   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
  113   3.1500   0.2500  -0.373900   1.7825   1.5750   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    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   320.000  1.410
   44    47   268.000  1.529
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   268.000  1.529
   63    64   340.000  1.090
   63    69   317.000  1.522
   63    71   320.000  1.410
   69    70   570.000  1.229
   69    73   214.000  1.327
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77   101   268.000  1.529
   77    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    90   317.000  1.510
   90    94   549.000  1.340
   90    97   317.000  1.510
   94    95   340.000  1.080
   94   101   317.000  1.510
  101   102   340.000  1.090
  101   103   320.000  1.410
  103   104   320.000  1.410
  104   105   340.000  1.090
  104   106   268.000  1.529
  104    85   275.000  1.510
  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    81   268.000  1.529
  109   111   320.000  1.410
   81    85   275.000  1.510
   81    86   268.000  1.529
   85    91   260.000  1.509
   85    96   335.000  1.432
   91    92   340.000  1.088
   91    93   340.000  1.088
   91    96   335.000  1.432
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
  111   112   440.000  1.360
  112   113   745.000  1.250
  112    40   465.000  1.376
   40    41   340.000  1.080
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   71    72   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    56   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   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    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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40   112    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    85.00000  110.90400
   42    44    47    70.00000  112.02700
   44    42    43    35.00000  117.00000
   44    46    49    60.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    52    58.35000  112.70000
   44    47    56    50.00000  109.50000
   46    44    45    35.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    58    50.00000  109.50000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    65    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    69    63.00000  111.10000
   61    63    71    50.00000  109.50000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   63    61    62    37.50000  110.70000
   63    69    70    80.00000  120.40000
   63    69    73    81.00000  111.40000
   63    71    72    55.00000  108.50000
   69    63    64    35.00000  109.50000
   69    73    74    83.00000  116.90000
   73    69    70    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    50.00000  109.50000
   74    77    78    58.35000  112.70000
   74    77   101    58.35000  112.70000
   74    77    81    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    82    58.35000  112.70000
   77   101    94    70.00000  112.02700
   77   101   102    37.50000  110.70000
   77   101   103    50.00000  109.50000
   77    81   109    58.35000  112.70000
   77    81    85    70.00000  112.37300
   77    81    86    58.35000  112.70000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    90    70.00000  112.02700
   80    78    79    33.00000  107.80000
   82    78    79    37.50000  110.70000
   82    78    80    37.50000  110.70000
   82    90    94    70.00000  124.00000
   82    90    97    65.00000  117.92700
   84    82    83    33.00000  107.80000
   90    82    83    35.00000  109.50000
   90    82    84    35.00000  109.50000
   90    94    95    35.00000  120.00000
   90    94   101    70.00000  124.00000
   90    97    98    35.00000  109.50000
   90    97    99    35.00000  109.50000
   90    97   100    35.00000  109.50000
   94   101   102    35.00000  109.50000
   94   101   103    85.00000  110.90400
  101    77    78    58.35000  112.70000
  101    94    95    35.00000  117.00000
  101   103   104    60.00000  109.50000
  103   101   102    35.00000  109.50000
  103   104   105    35.00000  109.50000
  103   104   106    50.00000  109.50000
  103   104    85    50.00000  109.50000
  104   106   107    37.50000  110.70000
  104   106   108    37.50000  110.70000
  104   106   109    58.35000  112.70000
  104    85    81    58.35000  112.70000
  104    85    91    60.00000  120.94000
  104    85    96    80.00000  116.47100
  106   104   105    37.50000  110.70000
  106   109   110    37.50000  110.70000
  106   109    81    58.35000  112.70000
  106   109   111    50.00000  109.50000
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  109    81    85    70.00000  112.37300
  109    81    86    58.35000  112.70000
  109   111   112    90.00000  111.18400
   81    77    78    58.35000  112.70000
   81    77   101    58.35000  112.70000
   81   109   110    37.50000  110.70000
   81    85    91    60.00000  120.94000
   81    85    96    80.00000  116.47100
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    89    37.50000  110.70000
   85   104   105    45.00000  109.38400
   85   104   106    70.00000  112.37300
   85    91    92    37.50000  117.20000
   85    91    93    37.50000  117.20000
   85    91    96    15.00000   60.43100
   85    96    91    15.00000   59.14900
   93    91    92    35.00000  114.30000
   96    85    91    15.00000   60.43100
   96    91    92    50.00000  114.27700
   96    91    93    50.00000  114.27700
   86    81    85    70.00000  112.37300
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
  111   109   110    35.00000  109.50000
  111   109    81    50.00000  109.50000
  111   112   113    65.00000  121.00000
  111   112    40    80.00000  120.01400
  112    40    41    40.00000  120.50800
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40   112   113    65.00000  137.10300
   97    90    94    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   71    63    64    35.00000  109.50000
   71    63    69    90.00000  109.61100
   65    61    62    37.50000  110.70000
   65    61    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    50.00000  109.50000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   47    56    57    55.00000  108.50000
   52    47    48    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    47    48    35.00000  109.50000
   56    47    52    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
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  105   104   106   107   0.15000  1.0 3.0
  105   104   106   108   0.15000  1.0 3.0
  105   104   106   109   0.15000  1.0 3.0
  105   104    85    81   0.15000  1.0 3.0
  105   104    85    91   0.15000  1.0 3.0
  105   104    85    96   0.23400  1.0 3.0
  106   104   -85    81   0.56750  1.0 1.0
  106   104   -85    81  -0.07550 -1.0 2.0
  106   104   -85    81   0.20000  1.0 3.0
  106   104    85    91   0.07850  1.0 1.0
  106   104    85    91  -0.03950 -1.0 2.0
  106   104    85    91   0.67350  1.0 3.0
  106   104    85    96   0.02550  1.0 1.0
  106   104    85    96  -0.02600 -1.0 2.0
  106   104    85    96   1.20400  1.0 3.0
  106   109    81    77   0.56750  1.0 1.0
  106   109    81    77  -0.07550 -1.0 2.0
  106   109    81    77   0.20000  1.0 3.0
  106   109   -81    85   0.47050  1.0 1.0
  106   109   -81    85   0.03900 -1.0 2.0
  106   109   -81    85   0.20100  1.0 3.0
  106   109    81    86   0.56750  1.0 1.0
  106   109    81    86  -0.07550 -1.0 2.0
  106   109    81    86   0.20000  1.0 3.0
  106   109   111   112  -0.46850  1.0 1.0
  106   109   111   112   0.09300 -1.0 2.0
  106   109   111   112  -0.12850  1.0 3.0
  107   106   109   110   0.15000  1.0 3.0
  107   106   109    81   0.15000  1.0 3.0
  107   106   109   111   0.23400  1.0 3.0
  108   106   109   110   0.15000  1.0 3.0
  108   106   109    81   0.15000  1.0 3.0
  108   106   109   111   0.23400  1.0 3.0
  109    81   -85   104   0.56750  1.0 1.0
  109    81   -85   104  -0.07550 -1.0 2.0
  109    81   -85   104   0.20000  1.0 3.0
  109    81    85    91   0.07850  1.0 1.0
  109    81    85    91  -0.03950 -1.0 2.0
  109    81    85    91   0.67350  1.0 3.0
  109    81    85    96   0.02550  1.0 1.0
  109    81    85    96  -0.02600 -1.0 2.0
  109    81    85    96   1.20400  1.0 3.0
  109    81    86    87   0.15000  1.0 3.0
  109    81    86    88   0.15000  1.0 3.0
  109    81    86    89   0.15000  1.0 3.0
  109   111   112   113   2.00000 -1.0 2.0
  109   111   112    40  -2.26850  1.0 1.0
  109   111   112    40   3.39050 -1.0 2.0
  110   109    81    77   0.15000  1.0 3.0
  110   109    81    85   0.15000  1.0 3.0
  110   109    81    86   0.15000  1.0 3.0
  110   109   111   112   0.08050  1.0 3.0
   81    77    78    79   0.15000  1.0 3.0
   81    77    78    80   0.15000  1.0 3.0
   81    77    78    82   0.56750  1.0 1.0
   81    77    78    82  -0.07550 -1.0 2.0
   81    77    78    82   0.20000  1.0 3.0
   81    77   101    94   0.34400  1.0 1.0
   81    77   101    94   0.09450 -1.0 2.0
   81    77   101    94   0.11100  1.0 3.0
   81    77   101   102   0.15000  1.0 3.0
   81    77  -101   103   0.62750  1.0 1.0
   81    77  -101   103  -0.30950 -1.0 2.0
   81    77  -101   103   0.27300  1.0 3.0
   81   109   111   112  -0.46850  1.0 1.0
   81   109   111   112   0.09300 -1.0 2.0
   81   109   111   112  -0.12850  1.0 3.0
   81    85    91    92   0.15000  1.0 3.0
   81    85    91    93   0.15000  1.0 3.0
   81    85   -91    96   0.02550  1.0 1.0
   81    85   -91    96  -0.02600 -1.0 2.0
   81    85   -91    96   1.20400  1.0 3.0
   81    85   -96    91   0.06250  1.0 1.0
   81    85   -96    91  -0.01100 -1.0 2.0
   81    85   -96    91   0.28050  1.0 3.0
   85   104   106   107   0.15000  1.0 3.0
   85   104   106   108   0.15000  1.0 3.0
   85   104  -106   109   0.47050  1.0 1.0
   85   104  -106   109   0.03900 -1.0 2.0
   85   104  -106   109   0.20100  1.0 3.0
   85    81    86    87   0.15000  1.0 3.0
   85    81    86    88   0.15000  1.0 3.0
   85    81    86    89   0.15000  1.0 3.0
   92    91   -96    85   0.36800  1.0 3.0
   93    91   -96    85   0.36800  1.0 3.0
   96    85   -91    92   0.23400  1.0 3.0
   96    85   -91    93   0.23400  1.0 3.0
   86    81    85   104   0.56750  1.0 1.0
   86    81    85   104  -0.07550 -1.0 2.0
   86    81    85   104   0.20000  1.0 3.0
   86    81    85    91   0.07850  1.0 1.0
   86    81    85    91  -0.03950 -1.0 2.0
   86    81    85    91   0.67350  1.0 3.0
   86    81    85    96   0.02550  1.0 1.0
   86    81    85    96  -0.02600 -1.0 2.0
   86    81    85    96   1.20400  1.0 3.0
  111   109    81    77   0.62750  1.0 1.0
  111   109    81    77  -0.30950 -1.0 2.0
  111   109    81    77   0.27300  1.0 3.0
  111   109    81    85  -0.26800  1.0 1.0
  111   109    81    85   0.69150 -1.0 2.0
  111   109    81    85  -0.48750  1.0 3.0
  111   109    81    86   0.62750  1.0 1.0
  111   109    81    86  -0.30950 -1.0 2.0
  111   109    81    86   0.27300  1.0 3.0
  111   112    40    33   7.00000 -1.0 2.0
  111   112    40    41   7.00000 -1.0 2.0
  113   112    40    33   7.00000 -1.0 2.0
  113   112    40    41   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   97    90    94    95   7.00000 -1.0 2.0
   97    90    94   101   7.00000 -1.0 2.0
   71    63    69    70   0.30150 -1.0 2.0
   71    63    69    73   0.30750  1.0 1.0
   71    63    69    73   1.13850 -1.0 2.0
   71    63    69    73   0.38850  1.0 3.0
   65    61    63    64   0.15000  1.0 3.0
   65    61    63    69  -0.95700  1.0 1.0
   65    61    63    69  -0.18200 -1.0 2.0
   65    61    63    69   0.29450  1.0 3.0
   65    61    63    71   0.86500  1.0 1.0
   65    61    63    71  -0.17500 -1.0 2.0
   65    61    63    71   0.20800  1.0 3.0
   47    44    46    49   0.06250  1.0 1.0
   47    44    46    49  -0.01100 -1.0 2.0
   47    44    46    49   0.28050  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   48    47    56    57   0.19450  1.0 3.0
   52    47    56    57  -0.11600  1.0 1.0
   52    47    56    57  -0.09450 -1.0 2.0
   52    47    56    57   0.21250  1.0 3.0
   56    47    52    53   0.23400  1.0 3.0
   56    47    52    54   0.23400  1.0 3.0
   56    47    52    55   0.23400  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   63    73    69    70  10.50000 -1.0 2.0
   82    97    90    94   1.10000 -1.0 2.0
  101    95    94    90   1.10000 -1.0 2.0
  111   113   112    40   1.10000 -1.0 2.0
   33    41    40   112   1.10000 -1.0 2.0
END
