* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    139    196     397
    1     0 S   NP   _N1_     1    28.67265    95.38202   -23.45364
    2     1 S   H    _HN1     2     1.02960    80.60523    27.22490
    3     1 S   H    _H1_     3     1.02838    31.31865   174.72285
    4     1 S   H    _H2_     4     1.02780   101.51910   -79.72206
    5     1 S   CT   _CA1     5     1.50112   137.71737   137.31553
    6     5 S   HC   _HA1     6     1.09575   105.24103    78.88009
    7     5 S   CO3  _C1_     7     1.53787   112.38414   -41.35779
    8     7 S   O2Z  _O11     8     1.26358   115.00810   -44.28044
    9     7 S   O2Z  _O12     9     1.26240   114.91734   134.93908
   10     5 S   CT   _CB1    10     1.53100   107.44080  -163.20194
   11    10 S   HC   HB11    11     1.09825   109.35129   -50.86435
   12    10 S   HC   HB12    12     1.09819   110.40593    65.68289
   13    10 S   CT   _CG1    13     1.53015   112.67382  -171.96872
   14    13 S   HC   HG11    14     1.09596   110.44730   -63.45537
   15    13 S   HC   HG12    15     1.09652   109.98608    55.76964
   16    13 S   C    _CD1    16     1.51816   112.32013   176.14055
   17    16 S   O    _OE1    17     1.22722   123.26722    -2.06592
   18    16 S   N    _N2_    18     1.38644   111.63817   178.07705
   19    18 S   H    _HN2    19     1.01589   119.02498     1.30431
   20    18 S   CT1  _CA2    20     1.46191   123.37287   179.94766
   21    20 S   HC   _HA2    21     1.09736   109.36610    -7.46180
   22    20 S   C    _C2_    22     1.53477   108.45605  -123.04154
   23    22 S   O    _O2_    23     1.23023   122.17607  -146.20848
   24    20 S   CT   _CB2    32     1.53385   111.56786   114.51956
   25    24 S   HC   HB21    33     1.09585   110.03131    56.08172
   26    24 S   HC   HB22    34     1.09514   110.18923   175.09472
   27    22 S   N    _N3_    24     1.38489   113.45920    41.17230
   28    27 S   H    _HN3    25     1.01514   118.93391    -0.72685
   29    24 S   S    _SG2    35     1.82574   111.86540   -64.96446
   30    27 S   CT   _CA3    26     1.45468   123.56813   175.13615
   31    30 S   HC   HA31    27     1.09514   109.38621    21.37325
   32    30 S   HC   HA32    28     1.09499   107.08121   138.40634
   33    29 S   CT   _C18    36     1.82864    98.82989   177.68125
   34    33 S   F    F1__    37     1.36541   108.51680   -56.71251
   35    33 S   F    F2__    38     1.36529   108.50688    56.85151
   36    30 S   CO3  _C3_    29     1.52921   113.03170  -102.20864
   37    36 S   O2Z  _O31    30     1.26408   115.37596   -44.73969
   38    36 S   O2Z  _O32    31     1.26350   114.99918   136.17149
   39    33 S   CA   _C15    39     1.50903   110.48264  -179.87805
   40    39 S   CA   _C14    40     1.40089   120.61259    89.04073
   41    40 S   HA   _H22    41     1.08795   120.24159     0.68984
   42    40 S   CA   _C13    42     1.39841   120.79529  -179.39802
   43    42 S   HA   _H21    43     1.08553   117.85750  -179.05664
   44    42 S   CA   _C12    44     1.39806   120.26856     0.21580
   45    44 S   CA   _C17    45     1.40100   119.15010    -0.34830
   46    45 S   HA   _H24    46     1.08724   121.20448   179.75292
   47    44 S   CD   _C9_    49     1.49732   121.80764  -179.68163
   48    39 S   CA   _C16    47     1.40016   120.65220   -90.21146
   49    48 S   HA   _H23    48     1.08772   120.34569    -0.41871
   50    47 S   CT   _C8_    50     1.52766   118.73475   -22.91403
   51    50 S   HC   _H12    51     1.09515   110.26945   -23.88481
   52    50 S   HC   _H13    52     1.09657   108.97711  -138.92632
   53    47 S   NI   _N4_    67     1.30193   118.18891   157.10252
   54    50 S   CT   _C7_    53     1.52881   111.15031    99.14086
   55    54 S   HC   _H10    54     1.09653   110.06863    57.75877
   56    54 S   HC   _H11    55     1.09642   109.95343   -58.93176
   57    53 S   OS   _O34    68     1.39871   111.94089   179.64173
   58    54 S   CT   _C6_    56     1.52650   111.26031   179.31557
   59    58 S   HC   _H8_    57     1.09725   110.20442   -58.54742
   60    58 S   HC   _H9_    58     1.09722   110.26628    58.01467
   61    57 S   CT   _C10    69     1.42509   108.27592   178.27150
   62    61 S   HC   _H14    70     1.09592   108.93907    62.52959
   63    61 S   HC   _H15    71     1.09663   109.85876   -56.67149
   64    58 S   CT   _C5_    59     1.52434   111.70199   179.73607
   65    64 S   HC   _H6_    60     1.09614   110.25634    59.58725
   66    64 S   HC   _H7_    61     1.09613   110.23075   -60.86893
   67    61 S   CT   _C11    72     1.51828   108.68588  -178.17791
   68    67 S   HC   _H16    73     1.09378   111.93721   -51.10748
   69    67 S   HC   _H17    74     1.09313   111.82696  -175.51703
   70    64 S   OS   _O33    62     1.42641   108.27203   179.30705
   71    67 S   NP   _N5_    75     1.48637   109.36093    66.34201
   72    71 S   H    _H18    76     1.02853   111.22942  -178.33728
   73    71 S   H    _H19    77     1.02878   111.75897    61.56482
   74    71 S   H    _H20    78     1.02928   111.18044   -58.62744
   75    70 S   CT   _C4_    63     1.42133   111.66265   179.61692
   76    75 S   HC   _H3_    64     1.09327   108.36395   179.92598
   77    75 S   HC   _H4_    65     1.09426   110.49157    61.01363
   78    75 S   HC   _H5_    66     1.09426   110.49111   -61.16365
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3  11   6   3  11   1
   1  11   6   5   6   9   5   4   7   7   5   4   9   5   4   7
   3   2   6   5   4   4   3   2   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    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49  
   41    42    43    44    45    48    49    47  
   42    43    44    48  
   43    44    45    46    48    47    50    53  
   44    45    47  
   45    46    48    49    47    50    51    52    54    53    57  
   46    48    49    47    50    53  
   48    49    47  
   50    51    52    54    55    56    58    53    57    61    48  
   49  
    0  
   51    52    54    55    56    58    59    60    64    53    57  
   52    54    55    56    58    53  
   54    55    56    58    53  
   57    61    62    63    67    54  
   55    56    58    59    60    64    65    66    70  
   56    58    59    60    64  
   58    59    60    64  
   61    62    63    67    68    69    71  
   59    60    64    65    66    70    75  
   60    64    65    66    70  
   64    65    66    70  
   62    63    67    68    69    71    72    73    74  
   63    67    68    69    71  
   67    68    69    71  
   65    66    70    75    76    77    78  
   66    70    75  
   70    75  
   68    69    71    72    73    74  
   69    71    72    73    74  
   71    72    73    74  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   0.407500   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.004400   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   3.7500   0.1050   0.349200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   54   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   72   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   305.000  1.466
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   47    50   270.000  1.508
   47    53   500.000  1.261
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   320.000  1.410
   70    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   53    57   320.000  1.394
   57    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   367.000  1.471
   71    72   434.000  1.010
   71    73   434.000  1.010
   71    74   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    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    45    63.00000  120.00000
   39    48    49    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    60.00000  121.09900
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    48    63.00000  120.00000
   44    47    50    60.00000  117.46000
   44    47    53    65.00000  124.33800
   45    48    49    35.00000  120.00000
   48    39    40    63.00000  120.00000
   48    45    46    35.00000  120.00000
   47    44    45    60.00000  121.09900
   47    50    51    45.00000  109.49600
   47    50    52    45.00000  109.49600
   47    50    54    70.00000  111.76100
   47    53    57   100.00000  109.52600
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    58    58.35000  112.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    70    50.00000  109.50000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    70    75    60.00000  109.50000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   53    47    50    65.00000  122.10100
   53    57    61   110.00000  106.71400
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    67    50.00000  109.50000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    71    80.00000  111.20000
   63    61    62    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   73    71    72    35.00000  109.50000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    45   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    48    45   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    47    50   0.29700 -1.0 2.0
   42    44    47    50   0.19400  1.0 3.0
   42    44    47    53   1.02250 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -48    39   3.62500 -1.0 2.0
   44    45    48    49   3.62500 -1.0 2.0
   44    47    50    51   0.00000  1.0 1.0
   44    47    50    52   0.00000  1.0 1.0
   44    47    50    54  -0.01700  1.0 1.0
   44    47    50    54   0.06550 -1.0 2.0
   44    47    50    54  -0.91500  1.0 3.0
   44    47    53    57   6.00000 -1.0 2.0
   45    44    47    50   0.29700 -1.0 2.0
   45    44    47    50   0.19400  1.0 3.0
   45    44    47    53   1.02250 -1.0 2.0
   46    45    48    39   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    48   3.62500 -1.0 2.0
   47    50    54    55   0.15000  1.0 3.0
   47    50    54    56   0.15000  1.0 3.0
   47    50    54    58   0.34400  1.0 1.0
   47    50    54    58   0.09450 -1.0 2.0
   47    50    54    58   0.11100  1.0 3.0
   47    53    57    61   1.50000 -1.0 2.0
   50    47    53    57   6.00000 -1.0 2.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54    58    64   0.56750  1.0 1.0
   50    54    58    64  -0.07550 -1.0 2.0
   50    54    58    64   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    58   0.15000  1.0 3.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58    64    70   0.62750  1.0 1.0
   54    58    64    70  -0.30950 -1.0 2.0
   54    58    64    70   0.27300  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    64   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    64   0.15000  1.0 3.0
   58    64    70    75   0.06250  1.0 1.0
   58    64    70    75  -0.01100 -1.0 2.0
   58    64    70    75   0.28050  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    70   0.23400  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    70   0.23400  1.0 3.0
   64    70    75    76   0.37050  1.0 3.0
   64    70    75    77   0.37050  1.0 3.0
   64    70    75    78   0.37050  1.0 3.0
   65    64    70    75   0.37050  1.0 3.0
   66    64    70    75   0.37050  1.0 3.0
   53    47    50    51   0.00000  1.0 1.0
   53    47    50    52   0.00000  1.0 1.0
   53    47    50    54   0.00000  1.0 1.0
   53    57    61    62   0.37500  1.0 3.0
   53    57    61    63   0.37500  1.0 3.0
   53    57    61    67   0.37500  1.0 3.0
   57    61    67    68   0.23400  1.0 3.0
   57    61    67    69   0.23400  1.0 3.0
   57    61    67    71   1.69300  1.0 1.0
   57    61    67    71  -0.48450 -1.0 2.0
   61    67    71    72   0.17350  1.0 3.0
   61    67    71    73   0.17350  1.0 3.0
   61    67    71    74   0.17350  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    71   0.19200  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   63    61    67    71   0.19200  1.0 3.0
   68    67    71    72   0.13050  1.0 3.0
   68    67    71    73   0.13050  1.0 3.0
   68    67    71    74   0.13050  1.0 3.0
   69    67    71    72   0.13050  1.0 3.0
   69    67    71    73   0.13050  1.0 3.0
   69    67    71    74   0.13050  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
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   48    46    45    44   1.10000 -1.0 2.0
   45    49    48    39   1.10000 -1.0 2.0
   44    50    47    53  10.50000 -1.0 2.0
END
