* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    130    197     372
    1     0 S   NP   _N1_     1    28.75616    94.58661   -21.47863
    2     1 S   H    _HN1     2     1.02959    86.35790     9.05300
    3     1 S   H    _H1_     3     1.02828    33.44278   138.07890
    4     1 S   H    _H2_     4     1.02781    90.67369   -99.28298
    5     1 S   CT   _CA1     5     1.50126   143.95402   129.50157
    6     5 S   HC   _HA1     6     1.09568   105.25438    64.41970
    7     5 S   CO3  _C1_     7     1.53786   112.41542   -55.90251
    8     7 S   O2Z  _O11     8     1.26366   115.01652   -43.47936
    9     7 S   O2Z  _O12     9     1.26237   114.93711   135.71372
   10     5 S   CT   _CB1    10     1.53036   107.37333  -177.58581
   11    10 S   HC   HB11    11     1.09818   109.34834   -50.11644
   12    10 S   HC   HB12    12     1.09811   110.35349    66.46174
   13    10 S   CT   _CG1    13     1.52997   112.76048  -171.10234
   14    13 S   HC   HG11    14     1.09582   110.57516   -63.36223
   15    13 S   HC   HG12    15     1.09651   109.93649    55.96407
   16    13 S   C    _CD1    16     1.51767   112.12204   176.38789
   17    16 S   O    _OE1    17     1.22720   123.21267     1.67771
   18    16 S   N    _N2_    18     1.38646   111.77527  -178.38009
   19    18 S   H    _HN2    19     1.01585   119.01869     2.54599
   20    18 S   CT1  _CA2    20     1.46132   123.26316   179.40950
   21    20 S   HC   _HA2    21     1.09504   109.30272     1.03552
   22    20 S   C    _C2_    22     1.53511   108.88997  -113.99318
   23    22 S   O    _O2_    23     1.23058   122.20114  -148.86261
   24    20 S   CT   _CB2    32     1.53359   111.70840   123.44643
   25    24 S   HC   HB21    33     1.09671   109.38975    63.77243
   26    24 S   HC   HB22    34     1.09556   111.01961  -179.13725
   27    22 S   N    _N3_    24     1.38309   113.70755    38.66775
   28    27 S   H    _HN3    25     1.01595   119.56109    -3.43758
   29    24 S   S    _SG2    35     1.82850   114.64371   -55.51009
   30    27 S   CT   _CA3    26     1.45285   123.21107   176.98520
   31    30 S   HC   HA31    27     1.09550   107.54178   -63.75201
   32    30 S   HC   HA32    28     1.09556   107.94946    52.68182
   33    29 S   CT   _C19    36     1.81393   100.29801   -72.98827
   34    33 S   F    F1__    37     1.35653   110.54623    62.38421
   35    33 S   F    F2__    38     1.35728   110.08135   -55.64824
   36    30 S   CO3  _C3_    29     1.52956   114.07268   174.66215
   37    36 S   O2Z  _O31    30     1.26376   116.05185    -0.43656
   38    36 S   O2Z  _O32    31     1.26426   114.42044   179.61590
   39    33 S   CT   _C18    39     1.52291   110.54682  -176.87438
   40    39 S   HC   _H15    40     1.09599   110.43688    63.07275
   41    39 S   HC   _H16    41     1.09766   109.46859   -59.14629
   42    39 S   OS   _O34    42     1.43527   107.65926  -178.72405
   43    42 S   CA   _C6_    43     1.37252   115.64945   157.40928
   44    43 S   CA   _C7_    44     1.39335   122.70833    33.61386
   45    44 S   HA   _H6_    45     1.08351   122.55398     0.53008
   46    44 S   CA   _C8_    46     1.38039   117.99540   179.75213
   47    46 S   HA   _H7_    47     1.08514   120.86171  -179.80719
   48    46 S   NB   _N4_    48     1.34724   123.95778     0.30132
   49    48 S   CA   _C9_    49     1.35972   117.80807    -0.40494
   50    43 S   CA   _C5_    50     1.40696   117.15614  -148.16225
   51    49 S   CT   _C10    55     1.50635   114.65502   178.30603
   52    51 S   HC   _H8_    56     1.09604   108.33811    55.54209
   53    51 S   HC   _H9_    57     1.09288   113.85633   174.13408
   54    50 S   CT   _C4_    51     1.50472   121.13952    -0.60587
   55    54 S   HC   _H3_    52     1.09353   110.60120   116.60020
   56    54 S   HC   _H4_    53     1.09505   110.02830  -122.37692
   57    54 S   HC   _H5_    54     1.09391   112.90681    -3.32667
   58    51 S   SZ   _S1_    58     1.82867   112.66016   -62.13396
   59    58 S   OZ   _O33    59     1.50127   107.14693   175.84404
   60    58 S   CRA  _C11    60     1.73406    98.12602   -74.49636
   61    60 S   N5B  _N6_    61     1.31578   124.04502    69.28899
   62    60 S   NA   _N5_    72     1.37022   124.40856  -111.83326
   63    62 S   H    _H10    73     1.01126   125.78147     0.42336
   64    61 S   C56B _C17    62     1.37483   105.29815  -179.21665
   65    64 S   CA   _C16    63     1.40424   129.93252   178.50564
   66    65 S   HA   _H14    64     1.08529   120.95490    -0.09065
   67    65 S   CA   _C15    65     1.40046   118.45154  -179.61336
   68    67 S   HA   _H13    66     1.08687   119.42771   179.48376
   69    67 S   CA   _C14    67     1.39683   121.00567    -0.19584
   70    69 S   HA   _H12    68     1.08745   119.41015   179.91844
   71    69 S   CA   _C13    69     1.39897   121.27637     0.15451
   72    71 S   HA   _H11    70     1.08417   121.37995   179.77971
   73    64 S   C56A _C12    71     1.39147   110.81064    -1.13780
  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   7   5   4   3
   7   5   4   2   1   1   6   3   2   7  12   7   4   5   2   7
  11   8   8   4   3   3   2   1   1   7   3   7   8   7   3   8
   7   4   6   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    50  
   41    42    43  
   42    43  
   43    44    45    46    49    50    54  
   44    45    46    47    48    49    50    54    55    56    57    51  
   45    46    47    48    49    50    54  
   46    47    48    50  
   47    48    49    50    51  
   48    49  
   49    50    54    51    52    53    58  
   50    54    55    56    57    51    52    53    58    59    60  
   54    55    56    57    51    52    53    58  
   52    53    58    59    60    61    62    54  
   53    58    59    60  
   58    59    60  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    64    73    62    63  
   60    61    62  
   61    64    65    71    73    62    63  
   64    65    66    67    71    73    62    63  
   63    64    65    69    71    72    73  
   64    71    73  
   65    66    67    68    69    71    72    73  
   66    67    68    69    70    71    73  
   67    68    69    73  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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  -0.175000   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   3.2500   0.0620   0.247500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.392000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   49   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.140000   2.4950   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5600   0.3950   0.307500   2.0080   1.7800   0.025682759  -1.666211680
   59   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   60   3.5500   0.0700   0.486300   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2800   0.1700  -0.678700   1.8000   1.6000   0.001000000  -0.511443539
   62   3.2500   0.1700  -0.625700   1.8000   1.6000   0.001000000  -0.511443539
   63   0.5000   0.0300   0.407200   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.498200   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.369600   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.209100   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.151400   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.181700   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.160700   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.329000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.198400   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.229900   2.5000   1.7750   0.001000000  -0.843144165
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   320.000  1.410
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   483.000  1.339
   48    49   483.000  1.339
   49    50   469.000  1.400
   49    51   317.000  1.510
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   340.000  1.853
   58    59   700.000  1.530
   58    60   200.000  1.819
   60    61   488.000  1.335
   60    62   477.000  1.343
   61    64   425.000  1.391
   64    65   469.000  1.404
   64    73   447.000  1.419
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    62   428.000  1.380
   62    63   434.000  1.010
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    50.00000  109.50000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    42    43    75.00000  111.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    54    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  117.00000
   48    46    47    35.00000  116.00000
   48    49    50    70.00000  124.00000
   48    49    51    75.00000  115.74700
   49    50    54    70.00000  120.00000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    58    75.00000  109.00000
   50    43    44    63.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    49    50    70.00000  120.00000
   51    58    59    74.00000  107.00000
   51    58    60   100.00000   94.18000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    60    61    70.00000  123.12000
   58    60    62    70.00000  118.96000
   60    58    59   105.00000  104.25000
   60    61    64    95.00000  105.97700
   60    62    73    90.00000  105.79800
   60    62    63    35.00000  120.00000
   61    64    65    60.00000  127.02500
   61    64    73    80.00000  112.17400
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    73    71    85.00000  122.70000
   64    73    62    70.00000  104.40000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    85.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    62    70.00000  132.80000
   73    64    65    85.00000  116.20000
   73    71    72    35.00000  120.00000
   73    62    63    35.00000  123.10000
   62    60    61    70.00000  120.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.32850  1.0 1.0
   33    39    42    43  -0.35800 -1.0 2.0
   33    39    42    43   0.33950  1.0 3.0
   34    33    39    40   0.22100  1.0 3.0
   34    33    39    41   0.22100  1.0 3.0
   34    33    39    42   0.51850  1.0 1.0
   34    33    39    42  -0.72850 -1.0 2.0
   35    33    39    40   0.22100  1.0 3.0
   35    33    39    41   0.22100  1.0 3.0
   35    33    39    42   0.51850  1.0 1.0
   35    33    39    42  -0.72850 -1.0 2.0
   39    42    43    44   1.63200 -1.0 2.0
   39    42    43    50   1.63200 -1.0 2.0
   40    39    42    43   0.08050  1.0 3.0
   41    39    42    43   0.08050  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    54   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    50    54    55   0.00000  1.0 1.0
   43    50    54    56   0.00000  1.0 1.0
   43    50    54    57   0.00000  1.0 1.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    54   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    54   3.62500 -1.0 2.0
   48    49    51    52   0.00000  1.0 1.0
   48    49    51    53   0.00000  1.0 1.0
   48    49    51    58   0.04300 -1.0 2.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    50    54    57   0.00000  1.0 1.0
   49    51    58    59   0.00000  1.0 1.0
   49    51    58    60   0.00000  1.0 1.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    58   0.04300 -1.0 2.0
   51    49    50    43   3.62500 -1.0 2.0
   51    49    50    54   3.62500 -1.0 2.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.00000  1.0 1.0
   52    51    58    59  -0.07200  1.0 3.0
   52    51    58    60   0.00000  1.0 1.0
   53    51    58    59  -0.07200  1.0 3.0
   53    51    58    60   0.00000  1.0 1.0
   58    60    61    64   3.62500 -1.0 2.0
   58    60    62    73   3.62500 -1.0 2.0
   58    60    62    63   2.00000 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   60    61    64    65   3.62500 -1.0 2.0
   60    61   -64    73   3.62500 -1.0 2.0
   61    60   -62    73   3.62500 -1.0 2.0
   61    60    62    63   2.32500 -1.0 2.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64    65    67   3.62500 -1.0 2.0
   61    64    73    71   3.62500 -1.0 2.0
   61    64   -73    62   3.62500 -1.0 2.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   64    73   -62    60   3.62500 -1.0 2.0
   64    73    62    63   1.52500 -1.0 2.0
   65    64    73    71   3.00000 -1.0 2.0
   65    64    73    62   3.00000 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67   -69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71   -73    64   3.62500 -1.0 2.0
   69    71    73    62   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    62    60   3.62500 -1.0 2.0
   71    73    62    63   1.52500 -1.0 2.0
   72    71    73    64   3.62500 -1.0 2.0
   72    71    73    62   3.62500 -1.0 2.0
   73    64    65    66   3.50000 -1.0 2.0
   73    64   -65    67   3.50000 -1.0 2.0
   62    60   -61    64   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
   37    30    36    38  10.50000 -1.0 2.0
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   50    51    49    48   4.00000 -1.0 2.0
   49    54    50    43   4.00000 -1.0 2.0
   61    62    60    58   4.00000 -1.0 2.0
   65    73    64    61   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    62    73    64   4.00000 -1.0 2.0
   63    60    62    73   1.00000 -1.0 2.0
END
