* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    127    206     375
    1     0 S   NP   _N1_     1    28.61617    94.70808   -21.64092
    2     1 S   H    _HN1     2     1.02962    87.73697    36.11569
    3     1 S   H    _H1_     3     1.02833    30.29651   166.58184
    4     1 S   H    _H2_     4     1.02774    93.06197   -72.13906
    5     1 S   CT   _CA1     5     1.50134   140.71875   156.21990
    6     5 S   HC   _HA1     6     1.09580   105.20951    64.65086
    7     5 S   CO3  _C1_     7     1.53783   112.35720   -55.46616
    8     7 S   O2Z  _O11     8     1.26358   114.97734   -43.90048
    9     7 S   O2Z  _O12     9     1.26242   114.88537   135.11840
   10     5 S   CT   _CB1    10     1.53086   107.40269  -177.52987
   11    10 S   HC   HB11    11     1.09822   109.24041   -51.24722
   12    10 S   HC   HB12    12     1.09820   110.44902    65.27481
   13    10 S   CT   _CG1    13     1.52999   112.71181  -172.40844
   14    13 S   HC   HG11    14     1.09592   110.34345   -64.51512
   15    13 S   HC   HG12    15     1.09649   110.05456    54.67376
   16    13 S   C    _CD1    16     1.51836   112.31100   174.88519
   17    16 S   O    _OE1    17     1.22725   123.26793    -5.03987
   18    16 S   N    _N2_    18     1.38631   111.64733   175.41362
   19    18 S   H    _HN2    19     1.01590   118.92946     1.11012
   20    18 S   CT1  _CA2    20     1.46216   123.42062  -179.66545
   21    20 S   HC   _HA2    21     1.09746   109.31548   -14.87685
   22    20 S   C    _C2_    22     1.53461   108.09139  -130.36189
   23    22 S   O    _O2_    23     1.23002   122.31621  -145.06825
   24    20 S   CT   _CB2    32     1.53658   111.71268   107.34572
   25    24 S   HC   HB21    33     1.09324   109.44853    54.75027
   26    24 S   HC   HB22    34     1.09333   109.51400   172.99067
   27    22 S   N    _N3_    24     1.38522   113.28979    42.23695
   28    27 S   H    _HN3    25     1.01530   118.91376    -0.56197
   29    24 S   S    _SG2    35     1.83295   111.28812   -67.09749
   30    27 S   CT   _CA3    26     1.45454   123.46294   174.94425
   31    30 S   HC   HA31    27     1.09522   109.23860    24.17651
   32    30 S   HC   HA32    28     1.09494   107.11565   141.21336
   33    29 S   CT   _C11    36     1.89101   102.35106   174.65086
   34    30 S   CO3  _C3_    29     1.52941   113.14382   -99.28040
   35    34 S   O2Z  _O31    30     1.26401   115.43728   -42.74235
   36    34 S   O2Z  _O32    31     1.26359   114.95136   138.17789
   37    33 S   CA   _C15    37     1.55806   110.58528    54.86103
   38    33 S   CT   _C12    48     1.58007   107.51791   -66.40902
   39    38 S   HC   _H8_    49     1.09855   109.36485  -174.43391
   40    38 S   HC   _H9_    50     1.09728   110.92534    69.77524
   41    33 S   CT   _C10    58     1.59072   109.68566   175.79104
   42    41 S   HC   _H3_    59     1.09570   106.84133   164.29733
   43    37 S   CA   _C16    38     1.40964   121.97843  -141.44008
   44    43 S   HA   _H12    39     1.08539   121.83311     0.65132
   45    38 S   NA   _N4_    51     1.44906   119.31500   -54.16212
   46    41 S   CA   _C8_    60     1.52650   118.54447   -73.89186
   47    41 S   OH   _O33    71     1.43509   110.71961    51.97469
   48    47 S   HO   _H16    72     0.97256   108.11858  -178.78888
   49    43 S   CA   _C17    40     1.39892   121.61930  -178.67013
   50    49 S   HA   _H13    41     1.08575   120.16055  -179.93147
   51    45 S   CRA  _C13    52     1.36264   128.03788    94.08877
   52    51 S   HA   _H10    53     1.07964   123.94278    -5.43091
   53    46 S   CA   _C9_    61     1.40893   119.55500    81.91647
   54    53 S   HA   _H7_    62     1.08764   120.51694     0.85295
   55    49 S   CA   _C18    42     1.38638   119.74447     0.44499
   56    55 S   F    F1__    43     1.33981   119.68348   179.84423
   57    51 S   N5B  _N5_    54     1.31274   109.83577   174.24486
   58    53 S   CA   _C4_    63     1.39631   121.47826  -179.42393
   59    58 S   HA   _H4_    64     1.08637   119.90529   179.81129
   60    55 S   CA   _C19    44     1.38532   120.61521     0.16071
   61    60 S   HA   _H14    45     1.08541   120.28388   179.55677
   62    57 S   CRB  _C14    55     1.36388   102.51457    -2.25949
   63    62 S   HA   _H11    56     1.08004   123.17099  -179.68721
   64    58 S   CA   _C5_    65     1.38960   120.03006    -0.28804
   65    64 S   HA   _H5_    66     1.08609   120.12804   180.00000
   66    37 S   CA   _C20    46     1.41421   121.32390    40.95119
   67    66 S   HA   _H15    47     1.08741   121.01591    -1.00775
   68    45 S   N5A  _N6_    57     1.34784   120.59110   -96.78750
   69    64 S   CA   _C6_    67     1.39217   119.76963    -0.29739
   70    69 S   HA   _H6_    68     1.08750   118.94203  -179.67797
   71    46 S   CA   _C7_    69     1.40981   122.92872   -98.40311
   72    71 S   Cl   Cl1_    70     1.73088   122.50964    -0.56163
  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  12   5   4   3
  20   2   1   1  17  14   5   4  13   5   8   4   6  11   3   1
   6   3   5   3   8   4   5   3   3   6   3   3   2   2   1   5
   3   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    66    38    39    40    45    41    42    46    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    49    60    66    67    38    39    40    45    51    68    41    42    46    53    71    47    48  
   35    36  
   36  
    0  
   43    44    49    50    55    60    61    66    67    38    39    40    45    41    42    46    47  
   39    40    45    51    52    57    62    68    41    42    46    47    43    66  
   40    45    51    68    41  
   45    51    68    41  
   42    46    53    54    58    69    71    72    47    48    43    45    66  
   46    53    71    47    48  
   44    49    50    55    56    60    66    67  
   49    50    55    66  
   51    52    57    62    63    68  
   53    54    58    59    64    69    70    71    72    47    48  
   48    53    71  
    0  
   50    55    56    60    61    66  
   55    56    60  
   52    57    62    63    68  
   57    62    68  
   54    58    59    64    65    69    71    72  
   58    59    64    71  
   56    60    61    66    67  
   60    61    66  
   62    63    68  
   59    64    65    69    70    71  
   64    65    69  
   61    66    67  
   66    67  
   63    68  
   68  
   65    69    70    71    72  
   69    70    71  
   67  
    0  
    0  
   70    71    72  
   71    72  
   72  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.2500   0.1700   0.065600   1.8000   1.6000   0.001000000  -0.511443539
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.277800   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.114600   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   56   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   57   3.2800   0.1700  -0.632900   1.8000   1.6000   0.001000000  -0.511443539
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.528100   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.052500   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.2800   0.1700  -0.528200   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   317.000  1.510
   33    38   268.000  1.529
   33    41   268.000  1.529
   37    43   469.000  1.400
   37    66   469.000  1.400
   43    44   367.000  1.080
   43    49   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   420.000  1.354
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.443
   45    51   477.000  1.343
   45    68   400.000  1.349
   51    52   367.000  1.080
   51    57   488.000  1.335
   57    62   470.000  1.361
   62    63   395.000  1.080
   62    68   550.000  1.323
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    47   320.000  1.410
   46    53   469.000  1.400
   46    71   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   300.000  1.725
   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    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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    43    70.00000  120.00000
   33    37    66    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.19500
   33    41    42    37.50000  110.70000
   33    41    46    70.00000  112.17500
   33    41    47    50.00000  109.50000
   37    43    44    35.00000  120.00000
   37    43    49    63.00000  120.00000
   37    66    60    63.00000  120.00000
   37    66    67    35.00000  120.00000
   43    49    50    35.00000  120.00000
   43    49    55    63.00000  120.00000
   49    43    44    35.00000  120.00000
   49    55    56    80.00000  120.00000
   49    55    60    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    60    61    35.00000  120.00000
   55    60    66    63.00000  120.00000
   60    55    56    80.00000  120.00000
   60    66    67    35.00000  120.00000
   66    37    43    63.00000  120.00000
   66    60    61    35.00000  120.00000
   38    33    37    70.00000  112.17500
   38    45    51    60.00000  127.66100
   38    45    68    75.00000  118.68000
   40    38    39    33.00000  107.80000
   45    38    39    50.00000  108.61900
   45    38    40    50.00000  108.61900
   45    51    52    35.00000  120.00000
   45    51    57    70.00000  120.00000
   45    68    62   115.00000  101.71600
   51    57    62   105.00000  102.26600
   57    51    52    35.00000  120.00000
   57    62    63    40.00000  123.47600
   57    62    68    85.00000  115.28900
   68    45    51    95.00000  110.06400
   68    62    63    45.00000  122.26300
   41    33    37    70.00000  112.17500
   41    33    38    58.35000  112.70000
   41    46    53    70.00000  120.00000
   41    46    71    70.00000  120.00000
   41    47    48    55.00000  108.50000
   46    41    42    35.00000  109.50000
   46    53    54    35.00000  120.00000
   46    53    58    63.00000  120.00000
   46    71    69    63.00000  120.00000
   46    71    72    75.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    64    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    69    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    69    70    35.00000  120.00000
   64    69    71    63.00000  120.00000
   69    64    65    35.00000  120.00000
   69    71    72    75.00000  120.00000
   71    46    53    63.00000  120.00000
   71    69    70    35.00000  120.00000
   47    41    42    35.00000  109.50000
   47    41    46    90.00000  112.51600
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    37    66  -0.16000  1.0 1.0
   29    33    37    66  -0.03200 -1.0 2.0
   29    33    37    66   0.04500  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    37    43    44   3.62500 -1.0 2.0
   33    37    43    49   3.62500 -1.0 2.0
   33    37    66    60   3.62500 -1.0 2.0
   33    37    66    67   3.62500 -1.0 2.0
   33    38    45    51   1.10250  1.0 1.0
   33    38    45    51   0.01650 -1.0 2.0
   33    38    45    51   0.39100  1.0 3.0
   33    38    45    68   0.68100  1.0 1.0
   33    38    45    68   0.03350 -1.0 2.0
   33    38    45    68   0.36200  1.0 3.0
   33    41    46    53   0.04150 -1.0 2.0
   33    41    46    71   0.04150 -1.0 2.0
   33    41    47    48  -0.11600  1.0 1.0
   33    41    47    48  -0.09450 -1.0 2.0
   33    41    47    48   0.21250  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    33    41    42   0.43200  1.0 3.0
   37    33    41    46  -0.94300  1.0 1.0
   37    33    41    46   1.32550 -1.0 2.0
   37    33    41    46  -0.07100  1.0 3.0
   37    33    41    47   1.13150  1.0 1.0
   37    33    41    47  -1.01400 -1.0 2.0
   37    43    49    50   3.62500 -1.0 2.0
   37    43    49    55   3.62500 -1.0 2.0
   43    37    66    60   3.62500 -1.0 2.0
   43    37    66    67   3.62500 -1.0 2.0
   43    49    55    56   3.62500 -1.0 2.0
   43    49   -55    60   3.62500 -1.0 2.0
   44    43    49    50   3.62500 -1.0 2.0
   44    43    49    55   3.62500 -1.0 2.0
   49    55    60    61   3.62500 -1.0 2.0
   49    55    60    66   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    60   3.62500 -1.0 2.0
   55    60   -66    37   3.62500 -1.0 2.0
   55    60    66    67   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    66   3.62500 -1.0 2.0
   61    60    66    37   3.62500 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   66    37    43    44   3.62500 -1.0 2.0
   66    37   -43    49   3.62500 -1.0 2.0
   38    33    37    43   0.04150 -1.0 2.0
   38    33    37    66   0.04150 -1.0 2.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.03700  1.0 1.0
   38    33    41    46   0.37200 -1.0 2.0
   38    33    41    46  -0.47300  1.0 3.0
   38    33    41    47   0.86500  1.0 1.0
   38    33    41    47  -0.17500 -1.0 2.0
   38    33    41    47   0.20800  1.0 3.0
   38    45    51    52   3.62500 -1.0 2.0
   38    45    51    57   3.62500 -1.0 2.0
   38    45    68    62   3.62500 -1.0 2.0
   39    38    45    51   0.00000  1.0 1.0
   39    38    45    68   0.00000  1.0 1.0
   40    38    45    51   0.00000  1.0 1.0
   40    38    45    68   0.00000  1.0 1.0
   45    51   -57    62   3.62500 -1.0 2.0
   51    45   -68    62   3.62500 -1.0 2.0
   51    57    62    63   3.62500 -1.0 2.0
   51    57   -62    68   3.62500 -1.0 2.0
   52    51    57    62   3.62500 -1.0 2.0
   57    62   -68    45   3.62500 -1.0 2.0
   63    62    68    45   3.62500 -1.0 2.0
   68    45    51    52   3.62500 -1.0 2.0
   68    45   -51    57   3.62500 -1.0 2.0
   41    33    37    43   0.04150 -1.0 2.0
   41    33    37    66   0.04150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    45  -0.64600  1.0 1.0
   41    33    38    45   0.58400 -1.0 2.0
   41    46    53    54   3.62500 -1.0 2.0
   41    46    53    58   3.62500 -1.0 2.0
   41    46    71    69   3.62500 -1.0 2.0
   41    46    71    72   3.62500 -1.0 2.0
   42    41    46    53   0.00000  1.0 1.0
   42    41    46    71   0.00000  1.0 1.0
   42    41    47    48   0.19450  1.0 3.0
   46    41    47    48   0.31900  1.0 1.0
   46    41    47    48  -0.11800 -1.0 2.0
   46    41    47    48   0.38750  1.0 3.0
   46    53    58    59   3.62500 -1.0 2.0
   46    53    58    64   3.62500 -1.0 2.0
   53    46    71    69   3.62500 -1.0 2.0
   53    46    71    72   3.62500 -1.0 2.0
   53    58    64    65   3.62500 -1.0 2.0
   53    58   -64    69   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    64   3.62500 -1.0 2.0
   58    64    69    70   3.62500 -1.0 2.0
   58    64    69    71   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   59    58    64    69   3.62500 -1.0 2.0
   64    69   -71    46   3.62500 -1.0 2.0
   64    69    71    72   3.62500 -1.0 2.0
   65    64    69    70   3.62500 -1.0 2.0
   65    64    69    71   3.62500 -1.0 2.0
   70    69    71    46   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    46    53    54   3.62500 -1.0 2.0
   71    46   -53    58   3.62500 -1.0 2.0
   47    41    46    53   0.14300 -1.0 2.0
   47    41    46    53   0.00300  1.0 3.0
   47    41    46    71   0.14300 -1.0 2.0
   47    41    46    71   0.00300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   43    66    37    33   4.00000 -1.0 2.0
   49    44    43    37   1.10000 -1.0 2.0
   55    50    49    43   1.10000 -1.0 2.0
   60    56    55    49   4.00000 -1.0 2.0
   66    61    60    55   1.10000 -1.0 2.0
   60    67    66    37   1.10000 -1.0 2.0
   51    68    45    38   4.00000 -1.0 2.0
   57    52    51    45   1.10000 -1.0 2.0
   68    63    62    57   1.10000 -1.0 2.0
   53    71    46    41   4.00000 -1.0 2.0
   58    54    53    46   1.10000 -1.0 2.0
   64    59    58    53   1.10000 -1.0 2.0
   69    65    64    58   1.10000 -1.0 2.0
   71    70    69    64   1.10000 -1.0 2.0
   69    72    71    46   4.00000 -1.0 2.0
END
