* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    199    330     595
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02023   106.62165   -14.24840
    3     1 S   H    _H1_     3     1.02066    55.98766    87.42221
    4     1 S   H    _H2_     4     1.02086    56.12211  -115.91189
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69466
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C26    36     1.86264    96.50676  -178.14238
   34    33 S   HC   _H8_    37     1.10638   105.04577    28.61710
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C25    38     1.50921   104.20373   -80.02209
   39    38 S   HC   _H22    39     1.09068   115.25223    74.84286
   40    33 S   CT   _C9_    82     1.62243   115.64215   145.34121
   41    38 S   CM   _C24    40     1.33535   127.50146  -104.75618
   42    40 S   CT   _C29    83     1.54156   110.41576    30.12746
   43    42 S   HC   _H30    84     1.08397   109.09598  -179.97202
   44    42 S   HC   _H31    85     1.08387   109.12638    60.05582
   45    42 S   HC   _H32    86     1.08407   109.11495   -59.96589
   46    41 S   OS   _O38    41     1.36701   122.00521     1.25725
   47    41 S   OH   _O39    99     1.38047   119.85947   177.19132
   48    47 S   HO   _H23   100     0.96275   109.80624    -0.00000
   49    46 S   CT   _C23    42     1.43843   114.51547   -76.75163
   50    49 S   CT   _C10    43     1.58734   112.89544    62.55901
   51    50 S   HC   _H5_    44     1.10190   106.02721   -88.08683
   52    49 S   CT   _C27    91     1.55127   109.89493   -61.10823
   53    52 S   HC   _H24    92     1.08060   108.63573   -54.87481
   54    52 S   HC   _H25    93     1.08145   108.58577  -174.85848
   55    52 S   HC   _H26    94     1.08092   108.65414    65.19312
   56    49 S   CT   _C28    95     1.54406   103.23534  -173.46667
   57    56 S   HC   _H27    96     1.08256   108.97786    56.99690
   58    56 S   HC   _H28    97     1.08293   108.90589   -63.02691
   59    56 S   HC   _H29    98     1.08351   108.98347   177.01069
   60    50 S   CT   _C11    45     1.54460   109.96375   160.02149
   61    60 S   HC   _H14    46     1.09627   109.85403    57.60871
   62    60 S   HC   _H15    47     1.09202   112.44994   -60.44642
   63    60 S   CO4  _C12    48     1.51053   113.07438   177.03166
   64    63 S   O    _O33    49     1.23029   120.49839  -121.82648
   65    63 S   CT   _C13    50     1.53004   116.14005    58.57843
   66    65 S   CT   _C8_    51     1.57604   103.02818   -59.39575
   67    66 S   HC   _H4_    52     1.09551   104.95907   -51.83150
   68    65 S   CT   _C22    87     1.54942   107.72740    63.24580
   69    68 S   HC   _H19    88     1.08119   108.71869   180.00000
   70    68 S   HC   _H20    89     1.08153   108.73740    59.94773
   71    68 S   HC   _H21    90     1.08235   108.66631   -60.02524
   72    66 S   CT   _C7_    53     1.54089   110.44048  -161.94353
   73    72 S   HC   _H3_    54     1.08605   111.24220   177.04832
   74    72 S   CT   _C6_    55     1.54534   113.38465    58.62123
   75    74 S   HC   _H12    56     1.09841   108.11488   104.30050
   76    74 S   HC   _H13    57     1.09848   107.96316  -142.00569
   77    72 S   OH   _O40    80     1.42301   110.59000   -64.52082
   78    77 S   HO   _H33    81     0.97064   106.77199  -174.58782
   79    74 S   CT   _C5_    58     1.55447   117.14208   -18.06395
   80    79 S   CT   _C17    59     1.58049   108.81303  -151.85292
   81    80 S   HC   _H7_    60     1.10615   110.83891    56.28987
   82    79 S   CT   _C4_    76     1.55109   112.59541    87.93567
   83    82 S   HC   _H9_    77     1.08093   108.60685   179.98022
   84    82 S   HC   _H10    78     1.08024   108.65168    59.99866
   85    82 S   HC   _H11    79     1.08066   108.61578   -60.09454
   86    80 S   C5BC _C18    61     1.52221   116.23161   -63.07961
   87    80 S   OS   _O36    69     1.45532   111.27437   173.23265
   88    86 S   C5BC _C19    62     1.41505   127.04163   -87.35029
   89    88 S   HA   _H16    63     1.08087   127.75319     0.03426
   90    87 S   CO4  _C16    70     1.36395   121.60672   -47.75431
   91    90 S   O    _O35    71     1.22408   122.37097  -169.86036
   92    88 S   C5A  _C20    64     1.37494   106.13866   179.97202
   93    92 S   HA   _H17    65     1.08038   133.80678  -179.94766
   94    90 S   C3T  _C15    72     1.47784   117.24921    12.27143
   95    94 S   HC   _H6_    73     1.08314   115.19716   167.00623
   96    92 S   OA   _O37    66     1.35825   110.58843     0.02798
   97    65 S   C3T  _C14    74     1.56882   111.24385  -177.90875
   98    86 S   C5A  _C21    67     1.37591   126.84464    92.62208
   99    98 S   HA   _H18    68     1.07976   133.90657     0.07133
  100    94 S   O3T  _O34    75     1.42638   114.48142   -53.61274
  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
  19   7   2   1   1  10   4  24   7  11   4   3   2  14   2   1
  15  18   7   8   3   2   1   4   2   1   1   8   4   3  13   4
  18  16   6   8   3   2   1  10   6  16   6   5   2   1  15  18
   7   8   3   2   1  10   8   6   4   5   4   4   2   3   2   2
   1   1   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    41    50    66    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    46    49    50    51    60    65    66    67    72    40    42    43    44    45    47  
   38    39    41    50    66    40    42  
   36    37  
   37  
    0  
   39    41    46    49    50    66    40    42    47    48  
   41    46    40    47  
   42    43    44    45    68    52    56    41    46    49    50    51    60    61    62    63    65    66    67    72    73    74    77    97  
   46    49    50    52    56    47    48  
   43    44    45    49    50    51    60    65    66    67    72  
   44    45    50    66  
   45    50    66  
   50    66  
   49    50    51    60    52    53    54    55    56    57    58    59    47    48  
   48    49  
    0  
   50    51    60    61    62    63    66    52    53    54    55    56    57    58    59  
   51    60    61    62    63    64    65    66    67    72    52    53    54    55    56    57    58    59  
   60    61    62    63    66    52    56  
   53    54    55    56    57    58    59    60  
   54    55    56  
   55    56  
   56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    97    68  
   62    63    64    65  
   63    64    65  
   64    65    66    67    72    79    94    97   100    68    69    70    71  
   65    66    97    68  
   66    67    72    73    74    79    80    90    94    95    97   100    82    77    68    69    70    71  
   67    72    73    74    75    76    79    94    97   100    77    78    68    69    70    71  
   72    73    74    97    77    68  
   69    70    71    72    79    94    97   100  
   70    71    97  
   71    97  
   97  
   73    74    75    76    79    80    97    82    77    78  
   74    75    76    79    77    78  
   75    76    79    80    81    86    87    94    97   100    82    83    84    85    77    78  
   76    79    80    97    82    77  
   79    80    97    82    77  
   78    79  
    0  
   80    81    86    88    98    87    90    94    95    97   100    82    83    84    85  
   81    86    88    89    92    96    98    99    87    90    91    94    97   100    82    83    84    85  
   86    88    98    87    90    97    82  
   83    84    85    86    87    94    97   100  
   84    85    97  
   85    97  
   97  
   88    89    92    93    96    98    99    87    90    97  
   90    91    94    95    97   100    88    98  
   89    92    93    96    98    99  
   92    93    96    98  
   91    94    95    97   100  
   94    95    97   100  
   93    96    98    99  
   96    98  
   95    97   100  
   97   100  
   98    99  
  100  
   99  
    0  
    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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   97   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   98   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  100   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   268.000  1.529
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    46   440.000  1.360
   41    47   510.000  1.338
   46    49   320.000  1.410
   49    50   268.000  1.529
   49    52   268.000  1.529
   49    56   268.000  1.529
   50    51   340.000  1.090
   50    60   268.000  1.529
   50    40   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.522
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   268.000  1.529
   65    97   275.000  1.510
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    40   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   268.000  1.529
   79    97   275.000  1.510
   79    82   268.000  1.529
   80    81   340.000  1.090
   80    86   285.000  1.502
   80    87   320.000  1.410
   86    88   469.000  1.424
   86    98   546.000  1.367
   88    89   367.000  1.080
   88    92   546.000  1.367
   92    93   367.000  1.080
   92    96   340.000  1.360
   96    98   340.000  1.360
   98    99   367.000  1.080
   87    90   214.000  1.327
   90    91   570.000  1.229
   90    94   290.000  1.496
   94    95   340.000  1.088
   94    97   260.000  1.509
   94   100   335.000  1.432
   97   100   335.000  1.432
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   553.000  0.945
   40    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   47    48   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  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    50    58.35000  112.70000
   33    40    66    58.35000  112.70000
   33    40    42    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    46    80.00000  120.01400
   38    41    47    80.00000  121.38400
   41    38    39    35.00000  120.00000
   41    46    49    90.00000  111.18400
   41    47    48    70.00000  107.45700
   46    49    50    50.00000  109.50000
   46    49    52    50.00000  109.50000
   46    49    56    50.00000  109.50000
   49    50    51    37.50000  110.70000
   49    50    60    58.35000  112.70000
   49    50    40    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    63    63.00000  111.10000
   50    40    66    58.35000  112.70000
   50    40    42    58.35000  112.70000
   60    50    51    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    65    70.00000  116.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    63.00000  111.10000
   63    65    97    63.00000  111.10000
   63    65    68    63.00000  111.10000
   65    63    64    80.00000  120.40000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    40    58.35000  112.70000
   65    97    79    58.35000  112.70000
   65    97    94    60.00000  120.94000
   65    97   100    80.00000  116.47100
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    58.35000  112.70000
   66    72    77    50.00000  109.50000
   66    40    42    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    79    58.35000  112.70000
   72    77    78    55.00000  108.50000
   74    72    73    37.50000  110.70000
   74    79    80    58.35000  112.70000
   74    79    97    70.00000  112.37300
   74    79    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    80    81    37.50000  110.70000
   79    80    86    70.00000  112.17500
   79    80    87    50.00000  109.50000
   79    97    94    60.00000  120.94000
   79    97   100    80.00000  116.47100
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    37.50000  110.70000
   80    86    88    60.00000  130.00000
   80    86    98    60.00000  130.00000
   80    87    90    83.00000  116.90000
   86    80    81    35.00000  109.50000
   86    88    89    35.00000  127.50000
   86    88    92    70.00000  107.30000
   86    98    96    70.00000  110.60000
   86    98    99    35.00000  132.10000
   88    92    93    35.00000  132.10000
   88    92    96    70.00000  110.60000
   92    88    89    35.00000  125.70000
   92    96    98    70.00000  106.50000
   96    92    93    35.00000  113.40000
   96    98    99    35.00000  113.40000
   98    86    88    70.00000  107.30000
   87    80    81    35.00000  109.50000
   87    80    86    85.00000  111.85700
   87    90    91    83.00000  123.40000
   87    90    94    81.00000  111.40000
   90    94    95    40.00000  116.18000
   90    94    97    65.00000  117.18000
   90    94   100    80.00000  114.91000
   94    90    91    75.00000  121.36600
   94    97   100    15.00000   60.43100
   94   100    97    15.00000   59.14900
   97    65    66    70.00000  112.37300
   97    79    80    70.00000  112.37300
   97    94    95    37.50000  117.20000
  100    94    95    50.00000  114.27700
  100    94    97    15.00000   60.43100
   82    79    80    58.35000  112.70000
   82    79    97    70.00000  112.37300
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    50    51    37.50000  110.70000
   40    50    60    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    66    72    58.35000  112.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    45    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   68    65    66    58.35000  112.70000
   68    65    97    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    49    50    58.35000  112.70000
   56    49    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   47    41    46   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
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   77    72    74    79  -0.17500 -1.0 2.0
   77    72    74    79   0.20800  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   40    50    60    61   0.15000  1.0 3.0
   40    50    60    62   0.15000  1.0 3.0
   40    50   -60    63  -0.95700  1.0 1.0
   40    50   -60    63  -0.18200 -1.0 2.0
   40    50   -60    63   0.29450  1.0 3.0
   40    66    72    73   0.15000  1.0 3.0
   40    66    72    74   0.56750  1.0 1.0
   40    66    72    74  -0.07550 -1.0 2.0
   40    66    72    74   0.20000  1.0 3.0
   40    66    72    77   0.86500  1.0 1.0
   40    66    72    77  -0.17500 -1.0 2.0
   40    66    72    77   0.20800  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65    66    40   0.56750  1.0 1.0
   68    65    66    40  -0.07550 -1.0 2.0
   68    65    66    40   0.20000  1.0 3.0
   68    65    97    79   0.56750  1.0 1.0
   68    65    97    79  -0.07550 -1.0 2.0
   68    65    97    79   0.20000  1.0 3.0
   68    65    97    94   0.07850  1.0 1.0
   68    65    97    94  -0.03950 -1.0 2.0
   68    65    97    94   0.67350  1.0 3.0
   68    65    97   100   0.02550  1.0 1.0
   68    65    97   100  -0.02600 -1.0 2.0
   68    65    97   100   1.20400  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    60   0.56750  1.0 1.0
   52    49    50    60  -0.07550 -1.0 2.0
   52    49    50    60   0.20000  1.0 3.0
   52    49    50    40   0.56750  1.0 1.0
   52    49    50    40  -0.07550 -1.0 2.0
   52    49    50    40   0.20000  1.0 3.0
   52    49    56    57   0.15000  1.0 3.0
   52    49    56    58   0.15000  1.0 3.0
   52    49    56    59   0.15000  1.0 3.0
   56    49    50    51   0.15000  1.0 3.0
   56    49    50    60   0.56750  1.0 1.0
   56    49    50    60  -0.07550 -1.0 2.0
   56    49    50    60   0.20000  1.0 3.0
   56    49    50    40   0.56750  1.0 1.0
   56    49    50    40  -0.07550 -1.0 2.0
   56    49    50    40   0.20000  1.0 3.0
   56    49    52    53   0.15000  1.0 3.0
   56    49    52    54   0.15000  1.0 3.0
   56    49    52    55   0.15000  1.0 3.0
   47    41    46    49   2.00000 -1.0 2.0
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    39    38    41   1.10000 -1.0 2.0
   46    47    41    38   1.10000 -1.0 2.0
   60    65    63    64  10.50000 -1.0 2.0
   88    98    86    80   4.00000 -1.0 2.0
   92    89    88    86   1.10000 -1.0 2.0
   96    93    92    88   1.10000 -1.0 2.0
   96    99    98    86   1.10000 -1.0 2.0
   87    94    90    91  10.50000 -1.0 2.0
END
