* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    212    345     641
    1     0 S   NP   _N1_     1    28.79764    94.68590   -24.26801
    2     1 S   H    _HN1     2     1.02950    81.12848    19.30540
    3     1 S   H    _H1_     3     1.02829    27.81957   178.20245
    4     1 S   H    _H2_     4     1.02784   107.89006   -87.22140
    5     1 S   CT   _CA1     5     1.50107   131.17864   128.71833
    6     5 S   HC   _HA1     6     1.09573   105.21345    81.54212
    7     5 S   CO3  _C1_     7     1.53796   112.42418   -38.71743
    8     7 S   O2Z  _O11     8     1.26372   115.01030   -43.47865
    9     7 S   O2Z  _O12     9     1.26239   114.94240   135.66897
   10     5 S   CT   _CB1    10     1.53081   107.42471  -160.47864
   11    10 S   HC   HB11    11     1.09831   109.40103   -49.85558
   12    10 S   HC   HB12    12     1.09814   110.43538    66.75435
   13    10 S   CT   _CG1    13     1.52984   112.59219  -170.84543
   14    13 S   HC   HG11    14     1.09587   110.59251   -64.66540
   15    13 S   HC   HG12    15     1.09667   109.83400    54.56570
   16    13 S   C    _CD1    16     1.51795   112.26264   175.02075
   17    16 S   O    _OE1    17     1.22726   123.29866     4.71783
   18    16 S   N    _N2_    18     1.38644   111.63576  -175.39070
   19    18 S   H    _HN2    19     1.01580   118.94484     1.95344
   20    18 S   CT1  _CA2    20     1.46217   123.40179   178.26506
   21    20 S   HC   _HA2    21     1.09738   109.40795     0.92620
   22    20 S   C    _C2_    22     1.53517   108.50370  -114.58134
   23    22 S   O    _O2_    23     1.23050   122.31641  -147.29334
   24    20 S   CT   _CB2    32     1.53494   111.51869   122.98739
   25    24 S   HC   HB21    33     1.09356   109.50156    57.03513
   26    24 S   HC   HB22    34     1.09442   109.55946   175.90672
   27    22 S   N    _N3_    24     1.38341   113.64852    40.11045
   28    27 S   H    _HN3    25     1.01596   119.57443    -3.34281
   29    24 S   S    _SG2    35     1.82878   111.03130   -64.93357
   30    27 S   CT   _CA3    26     1.45285   123.17389   177.10741
   31    30 S   HC   HA31    27     1.09550   107.50807   -64.50141
   32    30 S   HC   HA32    28     1.09557   107.98104    51.92633
   33    29 S   CT   _C22    36     1.86049   103.09713   167.42926
   34    30 S   CO3  _C3_    29     1.52949   114.10439   173.92259
   35    34 S   O2Z  _O31    30     1.26373   116.07096    -0.79795
   36    34 S   O2Z  _O32    31     1.26430   114.40972   179.26538
   37    33 S   CT   _C8_    37     1.53847   113.19407    47.36239
   38    37 S   HC   _H39    38     1.09390   113.01500   -50.07812
   39    37 S   HC   _H40    39     1.09870   110.19603  -167.74391
   40    33 S   CT   _C26   104     1.54931   106.41724   -70.01781
   41    40 S   HC   _H62   105     1.09500   112.93828   -49.31281
   42    40 S   HC   _H63   106     1.09672   110.73925  -169.61835
   43    40 S   HC   _H64   107     1.09539   112.01508    72.00932
   44    37 S   CO4  _C4_    40     1.50441   112.12925    74.26842
   45    44 S   O    _O27    41     1.22992   121.40835  -125.97392
   46    44 S   CT   _C11    42     1.52224   115.64345    57.98937
   47    46 S   HC   _H45    43     1.09659   107.25501    63.39347
   48    46 S   CT   _C20    44     1.56155   111.18262   -57.64258
   49    46 S   OH   _O35   102     1.41907   108.12372   179.24282
   50    49 S   HO   _H71   103     0.97290   107.63192   -55.76331
   51    33 S   CT   _C13    45     1.58324   111.53945   170.45733
   52    51 S   HC   _H47    46     1.10233   102.98639   169.99901
   53    48 S   CT   _C24    98     1.54965   107.85100   -71.17507
   54    53 S   HC   _H56    99     1.09017   113.27387   169.99567
   55    53 S   HC   _H57   100     1.09292   111.70977    49.25249
   56    53 S   HC   _H58   101     1.08941   113.29242   -67.50622
   57    51 S   CT   _C9_    47     1.54745   114.36231    55.67832
   58    57 S   HC   _H41    48     1.09331   111.89042   -74.46122
   59    57 S   HC   _H42    49     1.09482   109.84638    43.45094
   60    57 S   CT   _C16    50     1.52679   111.34868   162.29730
   61    60 S   HC   _H50    51     1.09749   107.94435   178.24699
   62    60 S   CT   _C19    52     1.52785   114.01885    54.97348
   63    60 S   OS   _O33    64     1.46241   105.87204   -69.37774
   64    62 S   CT   _C10    53     1.53713   115.43888    83.96498
   65    64 S   HC   _H43    54     1.08835   115.63721   -92.39197
   66    64 S   HC   _H44    55     1.09614   111.98290    31.15520
   67    48 S   CT   _C15    88     1.61113   109.32865   165.25225
   68    67 S   HC   _H49    89     1.09886   102.66001   -55.87399
   69    64 S   OS   _O34    56     1.45204   106.19799   147.39000
   70    69 S   CT   _C21    57     1.45492   108.07245    -7.82940
   71    62 S   CT   _C14    58     1.53085   106.22209  -169.47886
   72    71 S   HC   _H48    59     1.10497   108.30887   -56.61202
   73    70 S   CT   _C18    84     1.54447   107.73342    95.87290
   74    73 S   HC   _H52    85     1.09807   108.15201    65.17279
   75    70 S   CT   _C25    94     1.52655   108.08789  -143.60819
   76    75 S   HC   _H59    95     1.09607   110.51876   -57.49976
   77    75 S   HC   _H60    96     1.09331   112.41544  -178.43215
   78    75 S   HC   _H61    97     1.09581   110.90975    59.89976
   79    71 S   CT   _C12    60     1.51536   113.08748    60.55414
   80    79 S   HC   _H46    61     1.09181   112.78234    63.59646
   81    73 S   CT   _C17    86     1.54418   112.57700   -54.79027
   82    81 S   HC   _H51    87     1.09555   108.66640  -158.98592
   83    73 S   OH   _O37    92     1.42376   110.28590  -178.31739
   84    83 S   HO   _H73    93     0.97255   107.80981  -173.12899
   85    79 S   CO4  _C5_    62     1.51831   109.79318   -55.50791
   86    85 S   O    _O28    63     1.22789   122.79890  -146.39959
   87    79 S   OS   _O38    65     1.43639   108.55911  -173.73177
   88    81 S   OH   _O36    90     1.42219   107.39758    85.43611
   89    88 S   HO   _H72    91     0.97222   107.94752    65.89437
   90    87 S   CO4  _C7_    66     1.36578   117.59690  -148.67127
   91    90 S   O    _O30    67     1.22380   125.95631    -0.50085
   92    90 S   CT   _C29    68     1.52081   109.28889   179.06288
   93    92 S   HC   _H70    69     1.09711   109.27890   -49.39115
   94    92 S   CT   _C28    70     1.53114   109.84915    71.95685
   95    94 S   HC   _H68    71     1.09725   109.81508    61.88344
   96    94 S   HC   _H69    72     1.09629   110.35264   -55.84644
   97    92 S   OS   _O39    77     1.43731   109.10874  -169.51936
   98    94 S   CT   _C27    73     1.52261   112.17987  -177.48970
   99    98 S   HC   _H65    74     1.09464   110.90833    58.89707
  100    98 S   HC   _H66    75     1.09444   111.40855   -61.89313
  101    98 S   HC   _H67    76     1.09462   110.13396   178.46520
  102    97 S   CO4  _C6_    78     1.36357   116.73136    80.78007
  103   102 S   O    _O29    79     1.22326   126.34085     0.01978
  104   102 S   CT   _C23    80     1.49823   109.51922  -179.83929
  105   104 S   HC   _H53    81     1.09292   109.83563   -60.45284
  106   104 S   HC   _H54    82     1.09378   109.36007  -179.47103
  107   104 S   HC   _H55    83     1.09288   109.81472    61.46005
  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  13   5   4   3
  19   2   1   1  15   6   5   8   3   2   1   9   4  15   6  21
   4   1  15   6   8   3   2   1  10   5   4  16   6  19   8  12
   5   4  13   5  12  17  15   6  12   6   6   2   1   1   7   4
   5   3   2   1   3   1   6   1   1   9   4  12   6   8   6   5
   7   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    51    52    57    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    51    52    57    58    59    60    67    53    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    57    49    40    41    42    43  
   39    44    45    46    51    40  
   44    45    46    51    40  
   41    42    43    44    48    51    52    57  
   42    43    51  
   43    51  
   51  
   45    46    47    48    51    67    53    49    50  
   46    47    48    49  
   47    48    51    52    57    62    81    67    68    53    54    55    56    49    50  
   48    51    67    53    49    50  
   51    52    57    58    59    60    62    64    71    73    81    82    67    68    88    53    54    55    56    49    50  
   50    51    53    67  
    0  
   52    57    58    59    60    61    62    63    81    67    68    53    54    55    56  
   57    58    59    60    67    53  
   54    55    56    57    62    67    68    81  
   55    56    67  
   56    67  
   67  
   58    59    60    61    62    64    71    85    63    67  
   59    60    61    62    63  
   60    61    62    63  
   61    62    64    65    66    69    70    71    72    79    85    86    63    81    67    68  
   62    64    71    85    63    67  
   64    65    66    69    70    71    72    79    80    85    63    87    73    81    82    67    68    88    75  
   87    67    64    71    79    80    85    86  
   65    66    69    70    71    72    79    73    81    67    68    75  
   66    69    70    71    67  
   69    70    71    67  
   68    88    89    83    69    70    71    72    73    74    79    81    82  
   88    71    73    81    82  
   70    71    72    79    73    74    81    83    75    76    77    78  
   71    72    79    80    85    87    73    74    81    82    88    83    84    75    76    77    78  
   72    79    80    85    86    87    90    73    74    81    83    75    76    77    78  
   79    80    85    87    73    75  
   74    81    82    88    89    83    84    75    76    77    78    79  
   81    82    88    83    84    75  
   76    77    78    79    81    83  
   77    78  
   78  
    0  
   80    85    86    87    90    91    92  
   85    86    87    90  
   82    88    89    83    84  
   88    89    83  
   84    88  
    0  
   86    87    90  
   87  
   90    91    92    93    94    97  
   89  
    0  
   91    92    93    94    95    96    98    97   102  
   92    93    94    97  
   93    94    95    96    98    99   100   101    97   102   103   104  
   94    95    96    98    97   102  
   95    96    98    99   100   101    97   102  
   96    98    99   100   101    97  
   98    99   100   101    97  
  102   103   104   105   106   107    98  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    67   268.000  1.529
   48    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    64   268.000  1.529
   62    71   268.000  1.529
   62    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   320.000  1.410
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    75   268.000  1.529
   71    72   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    85   317.000  1.522
   79    87   320.000  1.410
   85    86   570.000  1.229
   85    63   214.000  1.327
   87    90   214.000  1.327
   90    91   570.000  1.229
   90    92   317.000  1.522
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    97   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   97   102   214.000  1.327
  102   103   570.000  1.229
  102   104   317.000  1.522
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   73    74   340.000  1.090
   73    81   268.000  1.529
   73    83   320.000  1.410
   81    82   340.000  1.090
   81    67   268.000  1.529
   81    88   320.000  1.410
   67    68   340.000  1.090
   88    89   553.000  0.945
   83    84   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    63.00000  111.10000
   44    46    49    90.00000  109.61100
   46    44    45    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    67    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    67    62    58.35000  112.70000
   48    67    81    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    64    58.35000  112.70000
   60    62    71    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    85    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    69    50.00000  109.50000
   62    71    70    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    79    58.35000  112.70000
   62    67    81    58.35000  112.70000
   62    67    68    37.50000  110.70000
   64    69    70    60.00000  109.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    70    71    50.00000  109.50000
   69    70    73    50.00000  109.50000
   69    70    75    50.00000  109.50000
   70    71    72    37.50000  110.70000
   70    71    79    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    81    58.35000  112.70000
   70    73    83    50.00000  109.50000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   71    62    64    58.35000  112.70000
   71    79    80    37.50000  110.70000
   71    79    85    63.00000  111.10000
   71    79    87    50.00000  109.50000
   79    71    72    37.50000  110.70000
   79    85    86    80.00000  120.40000
   79    85    63    81.00000  111.40000
   79    87    90    83.00000  116.90000
   85    79    80    35.00000  109.50000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   63    85    86    83.00000  123.40000
   87    79    80    35.00000  109.50000
   87    79    85    90.00000  108.74100
   87    90    91    83.00000  123.40000
   87    90    92    81.00000  111.40000
   90    92    93    35.00000  109.50000
   90    92    94    63.00000  111.10000
   90    92    97    90.00000  108.74100
   92    90    91    80.00000  120.40000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    98    58.35000  112.70000
   92    97   102    83.00000  116.90000
   94    92    93    37.50000  110.70000
   94    98    99    37.50000  110.70000
   94    98   100    37.50000  110.70000
   94    98   101    37.50000  110.70000
   96    94    95    33.00000  107.80000
   98    94    95    37.50000  110.70000
   98    94    96    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    94    50.00000  109.50000
   97   102   103    83.00000  123.40000
   97   102   104    81.00000  111.40000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  104   102   103    80.00000  120.40000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   73    70    71    58.35000  112.70000
   73    81    82    37.50000  110.70000
   73    81    67    58.35000  112.70000
   73    81    88    50.00000  109.50000
   73    83    84    55.00000  108.50000
   81    73    74    37.50000  110.70000
   81    67    68    37.50000  110.70000
   81    88    89    55.00000  108.50000
   67    48    51    58.35000  112.70000
   67    62    64    58.35000  112.70000
   67    62    71    58.35000  112.70000
   67    81    82    37.50000  110.70000
   88    81    82    35.00000  109.50000
   88    81    67    50.00000  109.50000
   83    73    74    35.00000  109.50000
   83    73    81    50.00000  109.50000
   75    70    71    58.35000  112.70000
   75    70    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   53    48    51    58.35000  112.70000
   53    48    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   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
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   95    94    98   101   0.15000  1.0 3.0
   96    94    98    99   0.15000  1.0 3.0
   96    94    98   100   0.15000  1.0 3.0
   96    94    98   101   0.15000  1.0 3.0
   97    92    94    95   0.23400  1.0 3.0
   97    92    94    96   0.23400  1.0 3.0
   97    92    94    98   0.62750  1.0 1.0
   97    92    94    98  -0.30950 -1.0 2.0
   97    92    94    98   0.27300  1.0 3.0
   97   102   104   105   0.00000  1.0 1.0
   97   102   104   106   0.00000  1.0 1.0
   97   102   104   107   0.00000  1.0 1.0
  103   102   104   105   0.00000  1.0 1.0
  103   102   104   106   0.00000  1.0 1.0
  103   102   104   107   0.00000  1.0 1.0
   73    70    71    62   0.56750  1.0 1.0
   73    70    71    62  -0.07550 -1.0 2.0
   73    70    71    62   0.20000  1.0 3.0
   73    70    71    72   0.15000  1.0 3.0
   73    70    71    79   0.56750  1.0 1.0
   73    70    71    79  -0.07550 -1.0 2.0
   73    70    71    79   0.20000  1.0 3.0
   73    70    75    76   0.15000  1.0 3.0
   73    70    75    77   0.15000  1.0 3.0
   73    70    75    78   0.15000  1.0 3.0
   73    81    67    48   0.56750  1.0 1.0
   73    81    67    48  -0.07550 -1.0 2.0
   73    81    67    48   0.20000  1.0 3.0
   73    81   -67    62   0.56750  1.0 1.0
   73    81   -67    62  -0.07550 -1.0 2.0
   73    81   -67    62   0.20000  1.0 3.0
   73    81    67    68   0.15000  1.0 3.0
   73    81    88    89  -0.11600  1.0 1.0
   73    81    88    89  -0.09450 -1.0 2.0
   73    81    88    89   0.21250  1.0 3.0
   74    73    81    82   0.15000  1.0 3.0
   74    73    81    67   0.15000  1.0 3.0
   74    73    81    88   0.23400  1.0 3.0
   74    73    83    84   0.19450  1.0 3.0
   81    73    83    84  -0.11600  1.0 1.0
   81    73    83    84  -0.09450 -1.0 2.0
   81    73    83    84   0.21250  1.0 3.0
   82    81    67    48   0.15000  1.0 3.0
   82    81    67    62   0.15000  1.0 3.0
   82    81    67    68   0.15000  1.0 3.0
   82    81    88    89   0.19450  1.0 3.0
   67    48    51    33   0.56750  1.0 1.0
   67    48    51    33  -0.07550 -1.0 2.0
   67    48    51    33   0.20000  1.0 3.0
   67    48    51    52   0.15000  1.0 3.0
   67    48   -51    57   0.56750  1.0 1.0
   67    48   -51    57  -0.07550 -1.0 2.0
   67    48   -51    57   0.20000  1.0 3.0
   67    48    53    54   0.15000  1.0 3.0
   67    48    53    55   0.15000  1.0 3.0
   67    48    53    56   0.15000  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    69   0.62750  1.0 1.0
   67    62    64    69  -0.30950 -1.0 2.0
   67    62    64    69   0.27300  1.0 3.0
   67    62   -71    70   0.56750  1.0 1.0
   67    62   -71    70  -0.07550 -1.0 2.0
   67    62   -71    70   0.20000  1.0 3.0
   67    62    71    72   0.15000  1.0 3.0
   67    62    71    79   0.56750  1.0 1.0
   67    62    71    79  -0.07550 -1.0 2.0
   67    62    71    79   0.20000  1.0 3.0
   67    81    88    89  -0.11600  1.0 1.0
   67    81    88    89  -0.09450 -1.0 2.0
   67    81    88    89   0.21250  1.0 3.0
   88    81    67    48   0.86500  1.0 1.0
   88    81    67    48  -0.17500 -1.0 2.0
   88    81    67    48   0.20800  1.0 3.0
   88    81    67    62   0.86500  1.0 1.0
   88    81    67    62  -0.17500 -1.0 2.0
   88    81    67    62   0.20800  1.0 3.0
   88    81    67    68   0.23400  1.0 3.0
   83    73    81    82   0.23400  1.0 3.0
   83    73    81    67   0.86500  1.0 1.0
   83    73    81    67  -0.17500 -1.0 2.0
   83    73    81    67   0.20800  1.0 3.0
   83    73    81    88   3.75450  1.0 1.0
   75    70    71    62   0.56750  1.0 1.0
   75    70    71    62  -0.07550 -1.0 2.0
   75    70    71    62   0.20000  1.0 3.0
   75    70    71    72   0.15000  1.0 3.0
   75    70    71    79   0.56750  1.0 1.0
   75    70    71    79  -0.07550 -1.0 2.0
   75    70    71    79   0.20000  1.0 3.0
   75    70    73    74   0.15000  1.0 3.0
   75    70    73    81   0.56750  1.0 1.0
   75    70    73    81  -0.07550 -1.0 2.0
   75    70    73    81   0.20000  1.0 3.0
   75    70    73    83   0.86500  1.0 1.0
   75    70    73    83  -0.17500 -1.0 2.0
   75    70    73    83   0.20800  1.0 3.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    57   0.56750  1.0 1.0
   53    48    51    57  -0.07550 -1.0 2.0
   53    48    51    57   0.20000  1.0 3.0
   53    48    67    62   0.56750  1.0 1.0
   53    48    67    62  -0.07550 -1.0 2.0
   53    48    67    62   0.20000  1.0 3.0
   53    48    67    81   0.56750  1.0 1.0
   53    48    67    81  -0.07550 -1.0 2.0
   53    48    67    81   0.20000  1.0 3.0
   53    48    67    68   0.15000  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    67   0.86500  1.0 1.0
   49    46    48    67  -0.17500 -1.0 2.0
   49    46    48    67   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   37    46    44    45  10.50000 -1.0 2.0
   79    63    85    86  10.50000 -1.0 2.0
   87    92    90    91  10.50000 -1.0 2.0
   97   104   102   103  10.50000 -1.0 2.0
END
