* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    204     386
    1     0 S   NP   _N1_     1    28.64660    94.21779   -21.94609
    2     1 S   H    _HN1     2     1.02778    93.27105   -81.58567
    3     1 S   H    _H1_     3     1.02958    90.27288    26.79198
    4     1 S   H    _H2_     4     1.02836    27.84933   155.01687
    5     1 S   CT   _CA1     5     1.50129   138.48144   148.88767
    6     5 S   HC   _HA1     6     1.09568   105.24458    62.31621
    7     5 S   CO3  _C1_     7     1.53826   112.30821   -57.95959
    8     7 S   O2Z  _O11     8     1.26378   115.01144   -44.00494
    9     7 S   O2Z  _O12     9     1.26219   114.96641   135.16488
   10     5 S   CT   _CB1    10     1.53103   107.41704  -179.68659
   11    10 S   HC   HB11    11     1.09821   109.48866   -49.36451
   12    10 S   HC   HB12    12     1.09823   110.35360    67.24785
   13    10 S   CT   _CG1    13     1.53001   112.64200  -170.41928
   14    13 S   HC   HG11    14     1.09515   110.36406   -61.18420
   15    13 S   HC   HG12    15     1.09638   110.04916    57.94148
   16    13 S   C    _CD1    16     1.51830   112.26322   178.28479
   17    16 S   O    _OE1    17     1.22729   123.21697    -5.58813
   18    16 S   N    _N2_    18     1.38608   111.71204   174.71554
   19    18 S   H    _HN2    19     1.01622   118.94767     0.77683
   20    18 S   CT1  _CA2    20     1.46307   123.44146  -178.68597
   21    20 S   HC   _HA2    21     1.09725   109.43517    -7.90594
   22    20 S   C    _C2_    22     1.53406   108.55614  -123.73491
   23    22 S   O    _O2_    23     1.23027   122.13769  -146.47186
   24    20 S   CT   _CB2    32     1.53471   111.16992   114.06952
   25    24 S   HC   HB21    33     1.09331   109.20543    57.32169
   26    24 S   HC   HB22    34     1.09504   110.76144   175.67591
   27    22 S   N    _N3_    24     1.38472   113.46697    40.89967
   28    27 S   H    _HN3    25     1.01521   118.91410    -0.80137
   29    24 S   S    _SG2    35     1.82734   111.28619   -64.83840
   30    27 S   CT   _CA3    26     1.45462   123.56211   175.19519
   31    30 S   HC   HA31    27     1.09515   109.37268    21.59693
   32    30 S   HC   HA32    28     1.09500   107.08456   138.61399
   33    29 S   CT   _C14    36     1.84131   100.57269   157.13238
   34    33 S   HC   _H4_    37     1.09694   106.57238    52.30634
   35    30 S   CO3  _C3_    29     1.52917   113.03487  -101.98180
   36    35 S   O2Z  _O31    30     1.26408   115.37547   -45.20535
   37    35 S   O2Z  _O32    31     1.26352   115.00637   135.71622
   38    33 S   CO4  _C15    38     1.52796   108.74870   165.25308
   39    38 S   O    _O35    39     1.23171   123.13782   -30.35742
   40    38 S   CM   _C16    40     1.48618   119.12379   153.60255
   41    40 S   HC   _H10    41     1.08377   114.94767   176.82670
   42    40 S   CM   _C17    42     1.34356   122.17909    -2.18669
   43    42 S   CT   _C11    43     1.51169   121.91830    -1.54978
   44    42 S   OS   _O36    70     1.38392   125.05967   178.59723
   45    43 S   CO4  _C12    44     1.52551   108.25069   104.11519
   46    45 S   O    _O34    45     1.21701   128.24061   -60.31566
   47    33 S   CT   _C13    61     1.53996   113.95730   -68.34074
   48    47 S   HC   _H3_    62     1.09996   107.26941    72.77292
   49    44 S   CT   _C18    71     1.42218   118.19851     0.25101
   50    49 S   HC   _H11    72     1.09405   107.85904   179.92087
   51    49 S   HC   _H12    73     1.09478   110.98520    61.96126
   52    49 S   HC   _H13    74     1.09476   110.98414   -62.11963
   53    45 S   CA   _C8_    46     1.43864   107.74265   120.01752
   54    47 S   CO4  _C19    63     1.52631   113.93767   -41.34309
   55    54 S   O    _O37    64     1.22581   122.89464   117.05769
   56    53 S   CA   _C9_    47     1.37612   105.72001    -1.49410
   57    54 S   OS   _O38    65     1.36092   111.42718   -62.64285
   58    56 S   CA   _C10    48     1.38228   120.69032   179.97202
   59    58 S   HA   _H9_    49     1.08560   120.48783  -179.67736
   60    43 S   OS   _O33    60     1.46149   110.34838  -142.70851
   61    57 S   CT   _C20    66     1.43064   115.29151   178.32147
   62    61 S   HC   _H14    67     1.09317   108.10043   175.92720
   63    61 S   HC   _H15    68     1.09426   110.62287    57.07125
   64    61 S   HC   _H16    69     1.09372   109.86309   -65.59780
   65    58 S   CA   _C5_    50     1.40552   118.49430     0.38206
   66    65 S   CA   _C6_    51     1.41290   119.91920    -1.01991
   67    66 S   HA   _H8_    52     1.08779   119.87976  -178.94427
   68    65 S   CT   _C4_    56     1.50065   120.08702  -178.42294
   69    68 S   HC   _H5_    57     1.09428   109.96707    89.83334
   70    68 S   HC   _H6_    58     1.09505   110.86406  -149.65618
   71    68 S   HC   _H7_    59     1.09507   110.92875   -30.64271
   72    53 S   CA   _C7_    53     1.37785   131.79493   178.27342
   73    72 S   OH   _O39    54     1.36030   122.91520    -0.02798
   74    73 S   HO   _H17    55     0.97423   108.50034     0.69239
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1   9   4   8   3  14  14   7  11   5   8   4
   3   2   1   1  10   7   2   8   4  10   4   2   3   2   1   1
   8   8   3   4   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    60    47    48    54    55    57  
   38    39    40    43    47    48    54  
   36    37  
   37  
    0  
   39    40    41    42    43    47    48    54    44  
   40    41    42    47  
   41    42    43    45    60    47    44    49  
   42    43    44  
   43    45    46    53    56    60    47    48    54    44    49    50    51    52  
   45    46    53    56    58    72    60    47    48    54    55    57    44    49  
   49    50    51    52    45    47    60  
   46    53    56    58    66    72    73    60    47    48    54  
   53    56    72    60    47  
   48    54    55    57    61    53    56    60  
   54    55    57    60  
   50    51    52  
   51    52  
   52  
    0  
   56    58    59    65    66    67    72    73    74    60  
   55    57    61    62    63    64    60  
   57    61  
   58    59    65    66    72    73    68    60  
   61    62    63    64  
   59    65    66    67    72    68    69    70    71    60  
   65    66    68    60  
   65    72  
   62    63    64  
   63    64  
   64  
    0  
   66    67    72    73    68    69    70    71  
   67    72    73    74    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74  
   74  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   317.000  1.510
   42    44   440.000  1.360
   43    45   317.000  1.522
   43    60   320.000  1.410
   43    47   268.000  1.529
   45    46   570.000  1.229
   45    53   310.000  1.470
   53    56   469.000  1.400
   53    72   469.000  1.400
   56    58   469.000  1.400
   56    60   450.000  1.364
   58    59   367.000  1.080
   58    65   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   47    48   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    57   214.000  1.327
   57    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    47    43    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    54    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    70.00000  124.00000
   40    42    44    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    45    70.00000  109.06800
   42    43    60    85.00000  110.90400
   42    43    47    70.00000  112.02700
   42    44    49    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    53    65.00000  115.47100
   43    60    56    75.00000  111.00000
   43    47    48    37.50000  110.70000
   43    47    54    63.00000  111.10000
   45    53    56    60.00000  119.52600
   45    53    72    60.00000  119.52600
   53    45    46    75.00000  123.78400
   53    56    58    63.00000  120.00000
   53    56    60    70.00000  120.00000
   53    72    66    63.00000  120.00000
   53    72    73    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    65    63.00000  120.00000
   58    65    66    63.00000  120.00000
   58    65    68    70.00000  120.00000
   65    58    59    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    73    70.00000  120.00000
   72    53    56    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    73    74    35.00000  113.00000
   68    65    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   60    43    45    90.00000  108.74100
   60    56    58    70.00000  120.00000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    45    63.00000  111.10000
   47    43    60    50.00000  109.50000
   47    54    55    80.00000  120.40000
   47    54    57    81.00000  111.40000
   54    47    48    35.00000  109.50000
   54    57    61    83.00000  116.90000
   57    54    55    83.00000  123.40000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.44750  1.0 1.0
   29    33    47    43  -0.17800 -1.0 2.0
   29    33    47    43   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    54   0.56750  1.0 1.0
   29    33    47    54  -0.07550 -1.0 2.0
   29    33    47    54   0.20000  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    47    54    55   0.30150 -1.0 2.0
   33    47    54    57   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    54  -0.11250  1.0 3.0
   38    33    47    43  -0.95700  1.0 1.0
   38    33    47    43  -0.18200 -1.0 2.0
   38    33    47    43   0.29450  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    54   0.11950  1.0 1.0
   38    33    47    54   0.20300 -1.0 2.0
   38    33    47    54  -0.70800  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    45  -0.51250  1.0 1.0
   40    42    43    45  -0.88800 -1.0 2.0
   40    42    43    45   0.08850  1.0 3.0
   40    42    43    60   0.39000  1.0 1.0
   40    42    43    60  -0.05800 -1.0 2.0
   40    42    43    60  -0.55150  1.0 3.0
   40    42    43    47   0.09850  1.0 1.0
   40    42    43    47   0.15250 -1.0 2.0
   40    42    43    47  -0.50650  1.0 3.0
   40    42    44    49  -2.26850  1.0 1.0
   40    42    44    49   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    53   0.65300  1.0 1.0
   42    43    45    53  -0.03850 -1.0 2.0
   42    43    45    53   0.33900  1.0 3.0
   42    43    60    56  -0.25600  1.0 1.0
   42    43    60    56  -0.40050 -1.0 2.0
   42    43    60    56   0.34700  1.0 3.0
   42    43   -47    33   0.34400  1.0 1.0
   42    43   -47    33   0.09450 -1.0 2.0
   42    43   -47    33   0.11100  1.0 3.0
   42    43    47    48   0.15000  1.0 3.0
   42    43    47    54  -0.98800  1.0 1.0
   42    43    47    54   0.48800 -1.0 2.0
   42    43    47    54   0.76800  1.0 3.0
   42    44    49    50   0.08050  1.0 3.0
   42    44    49    51   0.08050  1.0 3.0
   42    44    49    52   0.08050  1.0 3.0
   43    42    44    49   2.00000 -1.0 2.0
   43    45   -53    56   2.26350  1.0 1.0
   43    45   -53    56   0.76750 -1.0 2.0
   43    45   -53    56   0.22500  1.0 3.0
   43    45    53    72   2.26350  1.0 1.0
   43    45    53    72   0.76750 -1.0 2.0
   43    45    53    72   0.22500  1.0 3.0
   43    47    54    55   0.30150 -1.0 2.0
   43    47    54    57   0.36750  1.0 3.0
   45    43   -60    56  -0.25600  1.0 1.0
   45    43   -60    56  -0.40050 -1.0 2.0
   45    43   -60    56   0.34700  1.0 3.0
   45    43    47    33  -0.95700  1.0 1.0
   45    43    47    33  -0.18200 -1.0 2.0
   45    43    47    33   0.29450  1.0 3.0
   45    43    47    48  -0.11250  1.0 3.0
   45    43    47    54   0.11950  1.0 1.0
   45    43    47    54   0.20300 -1.0 2.0
   45    43    47    54  -0.70800  1.0 3.0
   45    53    56    58   3.62500 -1.0 2.0
   45    53   -56    60   3.62500 -1.0 2.0
   45    53    72    66   3.62500 -1.0 2.0
   45    53    72    73   3.62500 -1.0 2.0
   46    45    53    56   1.05000 -1.0 2.0
   46    45    53    72   1.05000 -1.0 2.0
   53    56    58    59   3.62500 -1.0 2.0
   53    56    58    65   3.62500 -1.0 2.0
   53    56   -60    43   1.63200 -1.0 2.0
   53    72    73    74   0.84100 -1.0 2.0
   56    53    72    66   3.62500 -1.0 2.0
   56    53    72    73   3.62500 -1.0 2.0
   56    58   -65    66   3.62500 -1.0 2.0
   56    58    65    68   3.62500 -1.0 2.0
   58    56    60    43   1.63200 -1.0 2.0
   58    65    66    67   3.62500 -1.0 2.0
   58    65    66    72   3.62500 -1.0 2.0
   58    65    68    69   0.00000  1.0 1.0
   58    65    68    70   0.00000  1.0 1.0
   58    65    68    71   0.00000  1.0 1.0
   59    58    65    66   3.62500 -1.0 2.0
   59    58    65    68   3.62500 -1.0 2.0
   65    66   -72    53   3.62500 -1.0 2.0
   65    66    72    73   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    73    74   0.84100 -1.0 2.0
   67    66    72    53   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   72    53   -56    58   3.62500 -1.0 2.0
   72    53    56    60   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   60    43    45    46   0.30150 -1.0 2.0
   60    43   -45    53   0.65300  1.0 1.0
   60    43   -45    53  -0.03850 -1.0 2.0
   60    43   -45    53   0.33900  1.0 3.0
   60    43    47    33   0.62750  1.0 1.0
   60    43    47    33  -0.30950 -1.0 2.0
   60    43    47    33   0.27300  1.0 3.0
   60    43    47    48   0.23400  1.0 3.0
   60    43    47    54  -0.09450  1.0 1.0
   60    43    47    54  -1.12950 -1.0 2.0
   60    43    47    54   0.54000  1.0 3.0
   60    56    58    59   3.62500 -1.0 2.0
   60    56    58    65   3.62500 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    53   0.05850 -1.0 2.0
   47    43    45    53   0.17250  1.0 3.0
   47    43    60    56  -0.32850  1.0 1.0
   47    43    60    56  -0.35800 -1.0 2.0
   47    43    60    56   0.33950  1.0 3.0
   47    54    57    61   1.63150  1.0 1.0
   47    54    57    61   2.92000 -1.0 2.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    57   0.00000  1.0 1.0
   54    57    61    62   0.08050  1.0 3.0
   54    57    61    63   0.08050  1.0 3.0
   54    57    61    64   0.08050  1.0 3.0
   55    54    57    61   3.00000 -1.0 2.0
   44    42    43    45   0.09700  1.0 1.0
   44    42    43    45   0.15600 -1.0 2.0
   44    42    43    45  -0.50800  1.0 3.0
   44    42    43    60   0.09700  1.0 1.0
   44    42    43    60   0.15600 -1.0 2.0
   44    42    43    60  -0.50800  1.0 3.0
   44    42    43    47   0.09700  1.0 1.0
   44    42    43    47   0.15600 -1.0 2.0
   44    42    43    47  -0.50800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
   43    53    45    46  10.50000 -1.0 2.0
   56    72    53    45   4.00000 -1.0 2.0
   58    60    56    53   4.00000 -1.0 2.0
   65    59    58    56   1.10000 -1.0 2.0
   66    68    65    58   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    73    72    53   4.00000 -1.0 2.0
   47    57    54    55  10.50000 -1.0 2.0
END
