* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    183     346
    1     0 S   NP   _N1_     1    28.76413    94.88038   -20.72107
    2     1 S   H    _HN1     2     1.02955    91.61656    37.89649
    3     1 S   H    _H1_     3     1.02840    31.69479   158.86771
    4     1 S   H    _H2_     4     1.02786    87.54836   -70.33417
    5     1 S   CT   _CA1     5     1.50104   142.33715   165.41354
    6     5 S   HC   _HA1     6     1.09590   105.20497    55.54675
    7     5 S   CO3  _C1_     7     1.53691   112.29199   -64.46580
    8     7 S   O2Z  _O11     8     1.26345   115.10080   -48.83114
    9     7 S   O2Z  _O12     9     1.26237   114.83350   130.24346
   10     5 S   CT   _CB1    10     1.53060   107.40880   173.13636
   11    10 S   HC   HB11    11     1.09816   109.03345   -53.06363
   12    10 S   HC   HB12    12     1.09821   110.55943    63.36271
   13    10 S   CT   _CG1    13     1.53022   112.74116  -174.34948
   14    13 S   HC   HG11    14     1.09593   110.25717   -65.47160
   15    13 S   HC   HG12    15     1.09643   110.15830    53.67527
   16    13 S   C    _CD1    16     1.51829   112.18403   173.59127
   17    16 S   O    _OE1    17     1.22747   123.14483   -10.83805
   18    16 S   N    _N2_    18     1.38576   111.78857   170.23757
   19    18 S   H    _HN2    19     1.01594   119.05885    -0.68700
   20    18 S   CT1  _CA2    20     1.46275   123.36474  -179.91844
   21    20 S   HC   _HA2    21     1.09735   109.34177   -14.25733
   22    20 S   C    _C2_    22     1.53433   108.33989  -129.89495
   23    22 S   O    _O2_    23     1.23017   122.27092  -146.70617
   24    20 S   CT   _CB2    32     1.53350   111.35507   107.90416
   25    24 S   HC   HB21    33     1.09435   109.51296    55.60934
   26    24 S   HC   HB22    34     1.09512   110.76501   173.80989
   27    22 S   N    _N3_    24     1.38523   113.36306    40.75901
   28    27 S   H    _HN3    25     1.01529   118.87123    -0.75459
   29    24 S   S    _SG2    35     1.82804   111.60114   -67.09751
   30    27 S   CT   _CA3    26     1.45449   123.50390   175.07777
   31    30 S   HC   HA31    27     1.09520   109.28074    23.45908
   32    30 S   HC   HA32    28     1.09497   107.11004   140.47122
   33    29 S   CT   _C11    36     1.86506    99.95840   146.42639
   34    33 S   HC   _H3_    37     1.09858   105.38946    40.98733
   35    30 S   CO3  _C3_    29     1.52923   113.08978  -100.04870
   36    35 S   O2Z  _O31    30     1.26405   115.39967   -44.50022
   37    35 S   O2Z  _O32    31     1.26354   114.98550   136.42815
   38    33 S   CA   _C8_    38     1.53018   108.98467   -75.63790
   39    33 S   CT   _C12    53     1.58018   110.67573   159.16872
   40    39 S   OM   _O36    54     1.32813   108.71862  -173.10477
   41    39 S   HC   _H4_    55     1.10149   105.01881    59.13964
   42    38 S   CA   _C7_    39     1.40184   119.67598   116.94089
   43    42 S   HA   _H9_    40     1.08723   120.39599     0.03956
   44    39 S   CA   _C13    56     1.53838   113.51630   -55.34098
   45    42 S   CA   _C6_    41     1.39654   120.67761   179.81233
   46    45 S   HA   _H8_    42     1.08730   119.21478  -179.87489
   47    44 S   CA   _C14    57     1.40843   119.02414   133.47611
   48    47 S   HA   _H12    58     1.08778   120.05129     0.20842
   49    45 S   CA   _C5_    43     1.39727   120.65047    -0.24629
   50    47 S   CA   _C15    59     1.39652   121.13433  -179.76261
   51    50 S   HA   _H13    60     1.08639   118.74048  -179.89165
   52    49 S   CA   _C10    44     1.39535   119.16742     0.33279
   53    52 S   HA   _H11    45     1.08567   121.94263   179.69933
   54    49 S   OS   _O33    48     1.36943   114.90381  -179.59026
   55    50 S   CA   _C16    61     1.39631   119.23190    -0.27766
   56    38 S   CA   _C9_    46     1.40368   122.01522   -63.44644
   57    56 S   HA   _H10    47     1.08743   120.41414     0.21306
   58    54 S   CT   _C4_    49     1.42268   116.70017   177.01653
   59    58 S   HC   _H5_    50     1.09424   107.76289  -178.34247
   60    58 S   HC   _H6_    51     1.09343   111.03793    63.95193
   61    58 S   HC   _H7_    52     1.09505   111.21671   -60.51216
   62    55 S   CA   _C17    62     1.39641   120.99094    -0.19281
   63    62 S   HA   _H14    63     1.08643   122.01067  -179.95577
   64    55 S   NO2  _N4_    66     1.45867   119.50015   179.97202
   65    64 S   ON   _O35    67     1.23882   117.72698   -19.43228
   66    64 S   ON   _O34    68     1.23880   117.73916   160.60221
   67    44 S   CA   _C18    64     1.40879   122.67471   -47.02253
   68    67 S   HA   _H15    65     1.08698   120.45325    -0.61134
  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
  14   7   2   1   1  13  11   4   3   8   4   9   7   3   8   4
   9   8   3   5   3   5   7   1   1   3   2   1   1   6   3   3
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    56    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    45    52    56    57    39    40    41    44    47    67  
   38    42    56    39    40    41    44  
   36    37  
   37  
    0  
   42    43    45    46    49    52    53    56    57    39    40    41    44  
   40    41    44    47    48    50    62    67    68    42    56  
   41    44    47    67  
   44    47    67  
   43    45    46    49    52    56    57    54  
   45    46    49    56  
   47    48    50    51    55    62    63    67    68  
   46    49    52    53    56    54    58  
   49    52    54  
   48    50    51    55    62    67    68    64  
   50    51    55    67  
   52    53    56    57    54    58    59    60    61  
   51    55    62    63    67    64    65    66  
   55    62    64  
   53    56    57    54    58  
   56    57    54  
   58    59    60    61    56  
   62    63    67    68    64    65    66  
   57  
    0  
   59    60    61  
   60    61  
   61  
    0  
   63    67    68    64    65    66  
   67    68    64  
   65    66    67  
   66  
    0  
   68  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   65   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   66   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    56   469.000  1.400
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    47   469.000  1.400
   44    67   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    62   469.000  1.400
   55    64   400.000  1.460
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   64    65   550.000  1.225
   64    66   550.000  1.225
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    45    63.00000  120.00000
   38    56    52    63.00000  120.00000
   38    56    57    35.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    49    63.00000  120.00000
   45    42    43    35.00000  120.00000
   45    49    52    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   49    54    58    75.00000  111.00000
   52    56    57    35.00000  120.00000
   56    38    42    63.00000  120.00000
   56    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    47    70.00000  120.00000
   39    44    67    70.00000  120.00000
   41    39    40    45.00000  125.66300
   44    39    40    85.00000  111.85700
   44    39    41    35.00000  109.50000
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    67    62    63.00000  120.00000
   44    67    68    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    55    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    55    62    63.00000  120.00000
   50    55    64    85.00000  120.00000
   55    50    51    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    67    63.00000  120.00000
   55    64    65    80.00000  117.50000
   55    64    66    80.00000  117.50000
   62    67    68    35.00000  120.00000
   67    44    47    63.00000  120.00000
   67    62    63    35.00000  120.00000
   64    55    62    85.00000  120.00000
   66    64    65    80.00000  125.30000
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
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    45   3.62500 -1.0 2.0
   33    38    56    52   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    44    47   0.04150 -1.0 2.0
   33    39    44    67   0.04150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.43200  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44  -0.94300  1.0 1.0
   38    33    39    44   1.32550 -1.0 2.0
   38    33    39    44  -0.07100  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    49   3.62500 -1.0 2.0
   42    38    56    52   3.62500 -1.0 2.0
   42    38    56    57   3.62500 -1.0 2.0
   42    45   -49    52   3.62500 -1.0 2.0
   42    45    49    54   3.62500 -1.0 2.0
   43    42    45    46   3.62500 -1.0 2.0
   43    42    45    49   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    56   3.62500 -1.0 2.0
   45    49    54    58   1.63200 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    52   -56    38   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    54    58    59   0.08050  1.0 3.0
   49    54    58    60   0.08050  1.0 3.0
   49    54    58    61   0.08050  1.0 3.0
   52    49    54    58   1.63200 -1.0 2.0
   53    52    56    38   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   56    38    42    43   3.62500 -1.0 2.0
   56    38   -42    45   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    56   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    44    47    48   3.62500 -1.0 2.0
   39    44    47    50   3.62500 -1.0 2.0
   39    44    67    62   3.62500 -1.0 2.0
   39    44    67    68   3.62500 -1.0 2.0
   40    39    44    47   0.64500  1.0 1.0
   40    39    44    47   0.14800 -1.0 2.0
   40    39    44    47   0.20650  1.0 3.0
   40    39    44    67   0.64500  1.0 1.0
   40    39    44    67   0.14800 -1.0 2.0
   40    39    44    67   0.20650  1.0 3.0
   41    39    44    47   0.00000  1.0 1.0
   41    39    44    67   0.00000  1.0 1.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    55   3.62500 -1.0 2.0
   47    44    67    62   3.62500 -1.0 2.0
   47    44    67    68   3.62500 -1.0 2.0
   47    50   -55    62   3.62500 -1.0 2.0
   47    50    55    64   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    55   3.62500 -1.0 2.0
   50    55    62    63   3.62500 -1.0 2.0
   50    55    62    67   3.62500 -1.0 2.0
   50    55    64    65   0.69950 -1.0 2.0
   50    55    64    66   0.69950 -1.0 2.0
   51    50    55    62   3.62500 -1.0 2.0
   51    50    55    64   3.62500 -1.0 2.0
   55    62   -67    44   3.62500 -1.0 2.0
   55    62    67    68   3.62500 -1.0 2.0
   62    55    64    65   0.69950 -1.0 2.0
   62    55    64    66   0.69950 -1.0 2.0
   63    62    67    44   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   67    44    47    48   3.62500 -1.0 2.0
   67    44   -47    50   3.62500 -1.0 2.0
   64    55    62    63   3.62500 -1.0 2.0
   64    55    62    67   3.62500 -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
   42    56    38    33   4.00000 -1.0 2.0
   45    43    42    38   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   52    54    49    45   4.00000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   52    57    56    38   1.10000 -1.0 2.0
   47    67    44    39   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   55    51    50    47   1.10000 -1.0 2.0
   62    64    55    50   4.00000 -1.0 2.0
   67    63    62    55   1.10000 -1.0 2.0
   62    68    67    44   1.10000 -1.0 2.0
   65    55    64    66  10.50000 -1.0 2.0
END
