* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    200     387
    1     0 S   NP   _N1_     1    28.87423    94.43740   -21.66021
    2     1 S   H    _HN1     2     1.02782    89.67537   -85.65025
    3     1 S   H    _H1_     3     1.02958    91.64879    22.65239
    4     1 S   H    _H2_     4     1.02839    29.76301   145.45197
    5     1 S   CT   _CA1     5     1.50090   140.48974   148.39883
    6     5 S   HC   _HA1     6     1.09562   105.32446    57.76085
    7     5 S   CO3  _C1_     7     1.53852   112.25040   -62.71072
    8     7 S   O2Z  _O11     8     1.26376   115.05984   -46.30741
    9     7 S   O2Z  _O12     9     1.26203   114.92812   133.02155
   10     5 S   CT   _CB1    10     1.53086   107.45697   175.86256
   11    10 S   HC   HB11    11     1.09819   109.70009   -49.03288
   12    10 S   HC   HB12    12     1.09829   110.22275    67.58271
   13    10 S   CT   _CG1    13     1.53016   112.59170  -170.07247
   14    13 S   HC   HG11    14     1.09444   110.29710   -57.31324
   15    13 S   HC   HG12    15     1.09613   110.18024    61.87626
   16    13 S   C    _CD1    16     1.51727   112.12506  -177.46503
   17    16 S   O    _OE1    17     1.22749   123.12458    -7.15080
   18    16 S   N    _N2_    18     1.38565   111.82531   172.74166
   19    18 S   H    _HN2    19     1.01786   119.33334     2.85444
   20    18 S   CT1  _CA2    20     1.46208   123.23346  -176.60373
   21    20 S   HC   _HA2    21     1.09711   109.38891   -13.00122
   22    20 S   C    _C2_    22     1.53417   108.85987  -129.02636
   23    22 S   O    _O2_    23     1.23051   122.07137  -149.46285
   24    20 S   CT   _CB2    32     1.53377   111.11898   108.93955
   25    24 S   HC   HB21    33     1.09486   109.38364    56.14421
   26    24 S   HC   HB22    34     1.09498   110.91320   174.72712
   27    22 S   N    _N3_    24     1.38431   113.58180    38.01528
   28    27 S   H    _HN3    25     1.01514   118.89517    -1.07666
   29    24 S   S    _SG2    35     1.82698   112.25443   -65.12049
   30    27 S   CT   _CA3    26     1.45416   123.42045   175.54614
   31    30 S   HC   HA31    27     1.09530   109.17594    25.29013
   32    30 S   HC   HA32    28     1.09495   107.12991   142.24154
   33    29 S   CT   _C12    36     1.81756    98.62992   152.38618
   34    33 S   HC   _H10    37     1.09093   110.32513   -51.92960
   35    33 S   HC   _H11    38     1.09473   108.06995    63.75374
   36    30 S   CO3  _C3_    29     1.52915   113.15308   -98.18093
   37    36 S   O2Z  _O31    30     1.26405   115.42771   -44.48126
   38    36 S   O2Z  _O32    31     1.26365   114.98486   136.46254
   39    33 S   CM   _C7_    39     1.49354   110.48191  -174.67520
   40    39 S   CM   _C8_    40     1.35378   125.02884   -97.35220
   41    40 S   C    _C9_    41     1.49934   106.06835  -178.34838
   42    41 S   O    _O33    42     1.21773   125.60919  -179.61134
   43    40 S   CT   _C11    73     1.48096   132.40972     2.40558
   44    43 S   HC   _H7_    74     1.09473   110.33513   124.23679
   45    43 S   HC   _H8_    75     1.09323   112.34925     4.36772
   46    43 S   HC   _H9_    76     1.09444   110.32235  -116.13790
   47    41 S   N    _N5_    43     1.39994   105.05773     0.51964
   48    47 S   C    _C10    44     1.40012   141.25444  -179.88465
   49    48 S   O    _O34    45     1.21776   129.27276    -0.17017
   50    48 S   CM   _C5_    46     1.49894   105.05181   179.73756
   51    50 S   CM   _C6_    47     1.35401   106.07594     0.61897
   52    50 S   CT   _C4_    69     1.48135   121.56899  -179.94766
   53    52 S   HC   _H4_    70     1.09474   110.33207   -53.75474
   54    52 S   HC   _H5_    71     1.09322   112.40829  -173.56943
   55    52 S   HC   _H6_    72     1.09442   110.30580    65.86117
   56    39 S   NE   _N4_    48     1.38145   124.28939    85.43888
   57    51 S   CT   _C13    49     1.49326   124.72128  -178.18706
   58    57 S   HC   _H12    50     1.09097   111.20178   139.22837
   59    57 S   HC   _H13    51     1.09391   110.42854    21.65209
   60    57 S   S    _S1_    52     1.81711   110.83831   -98.23648
   61    60 S   CT   _C14    53     1.82891    98.31576   169.89578
   62    61 S   HC   _H14    54     1.09408   108.06024    40.32139
   63    61 S   HC   _H15    55     1.09497   107.69915   -75.50883
   64    61 S   CT1  _C15    56     1.53375   113.35662   161.74027
   65    64 S   HC   _H3_    57     1.09861   107.43538  -178.77555
   66    64 S   CO3  _C16    58     1.54443   111.61628    65.38268
   67    66 S   O2Z  _O36    59     1.26427   115.15098    55.78256
   68    66 S   O2Z  _O35    60     1.26479   115.62731  -125.23982
   69    64 S   N    _N6_    61     1.46565   112.35016   -62.92830
   70    69 S   H    _H16    62     1.01651   116.56184   112.22173
   71    69 S   C    _C17    63     1.38189   123.70467   -70.42799
   72    71 S   O    _O37    64     1.22800   125.58206     3.00765
   73    71 S   CT   _C18    65     1.50442   112.31118  -177.72290
   74    73 S   HC   _H17    66     1.09375   110.10475    52.22158
   75    73 S   HC   _H18    67     1.09319   109.71924   171.79144
   76    73 S   HC   _H19    68     1.09333   109.64542   -68.23402
  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  13  10  11   4   5   2   1   1   7   9
   4  10  10   5   2   1   1   4   7   3   2   7  10   5   4   9
   6   5   2   1   7   3   5   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    56  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47    51    56    43  
   35    39    40    56  
   39    40    56  
   37    38  
   38  
    0  
   40    41    42    47    48    50    51    56    57    43    44    45    46  
   41    42    47    48    51    56    43    44    45    46  
   42    47    48    49    50    51    56    43    44    45    46  
   47    48    56    43  
   44    45    46    47    56  
   45    46  
   46  
    0  
   48    49    50    51    56    57    52  
   49    50    51    56    57    52    53    54    55  
   50    51    56    52  
   51    56    57    58    59    60    52    53    54    55  
   56    57    58    59    60    61    52    53    54    55  
   53    54    55    56    57  
   54    55  
   55  
    0  
   57    58    59    60  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    69  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    66    69  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71  
   67    68    69    70    71  
   68    69  
   69  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.125000   1.8100   1.6000   0.054801302  -1.445846770
   48   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.036000   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   61   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   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   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    56   425.000  1.378
   40    41   410.000  1.444
   40    43   317.000  1.510
   41    42   570.000  1.229
   41    47   490.000  1.335
   47    48   490.000  1.335
   47    56   270.000  1.380
   48    49   570.000  1.229
   48    50   410.000  1.444
   50    51   549.000  1.340
   50    52   317.000  1.510
   51    56   425.000  1.378
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   222.000  1.810
   60    61   222.000  1.810
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    69   337.000  1.449
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   434.000  1.010
   69    71   490.000  1.335
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    56    75.00000  116.24600
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    70.00000  118.70000
   39    40    43    70.00000  124.00000
   39    56    47   100.00000  118.68000
   39    56    51    75.00000  118.45600
   40    41    42    80.00000  125.30000
   40    41    47    80.00000  111.56200
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   41    47    48    70.00000  121.37400
   41    47    56    75.00000  118.91700
   47    41    42    80.00000  122.90000
   47    48    49    80.00000  122.90000
   47    48    50    80.00000  111.56200
   47    56    51   100.00000  118.68000
   48    50    51    70.00000  118.70000
   48    50    52    70.00000  119.70000
   50    48    49    80.00000  125.30000
   50    51    56    70.00000  124.03900
   50    51    57    70.00000  124.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    75.00000  112.20000
   56    39    40    70.00000  124.03900
   56    47    48    75.00000  118.91700
   57    51    56    75.00000  116.24600
   57    60    61    62.00000   98.90000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    75.00000  108.68000
   61    64    65    37.50000  110.70000
   61    64    66    63.00000  111.10000
   61    64    69    80.00000  109.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    70.00000  117.00000
   64    66    68    70.00000  117.00000
   64    69    70    38.00000  118.40000
   64    69    71    50.00000  121.90000
   66    64    65    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    64    65    35.00000  109.50000
   69    64    66    63.00000  110.10000
   69    71    72    80.00000  122.90000
   69    71    73    70.00000  116.60000
   71    69    70    35.00000  119.80000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   52    50    51    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   43    40    41    70.00000  119.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    56   0.09700  1.0 1.0
   29    33    39    56   0.15600 -1.0 2.0
   29    33    39    56  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    43   7.00000 -1.0 2.0
   33    39    56    47   1.00000 -1.0 2.0
   33    39    56    51   1.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    56  -0.18050  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    56  -0.18050  1.0 3.0
   39    40    41    42   1.00000 -1.0 2.0
   39    40   -41    47   0.49500  1.0 1.0
   39    40   -41    47   1.31600 -1.0 2.0
   39    40   -41    47  -0.02300  1.0 3.0
   39    40    43    44   0.00000  1.0 1.0
   39    40    43    45   0.00000  1.0 1.0
   39    40    43    46   0.00000  1.0 1.0
   40    39   -56    47  -0.94800  1.0 1.0
   40    39   -56    47   2.88400 -1.0 2.0
   40    39    56    51  -0.54500  1.0 1.0
   40    39    56    51   1.14150 -1.0 2.0
   40    41    47    48   2.45000 -1.0 2.0
   40    41   -47    56   2.45000 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   41    47    48    49   2.22250 -1.0 2.0
   41    47    48    50   2.45000 -1.0 2.0
   41    47   -56    39   0.00000  1.0 1.0
   41    47    56    51   0.00000  1.0 1.0
   42    41    47    48   2.22250 -1.0 2.0
   42    41    47    56   2.45000 -1.0 2.0
   47    48   -50    51   0.49500  1.0 1.0
   47    48   -50    51   1.31600 -1.0 2.0
   47    48   -50    51  -0.02300  1.0 3.0
   47    48    50    52   1.59650  1.0 1.0
   47    48    50    52   0.42750 -1.0 2.0
   47    48    50    52  -0.48350  1.0 3.0
   48    47    56    39   0.00000  1.0 1.0
   48    47   -56    51   0.00000  1.0 1.0
   48    50   -51    56   7.00000 -1.0 2.0
   48    50    51    57   7.00000 -1.0 2.0
   48    50    52    53   0.15000  1.0 3.0
   48    50    52    54   0.15000  1.0 3.0
   48    50    52    55   0.15000  1.0 3.0
   49    48    50    51   1.00000 -1.0 2.0
   49    48    50    52  -0.64400  1.0 1.0
   49    48    50    52   0.26850 -1.0 2.0
   50    51    56    39  -0.54500  1.0 1.0
   50    51    56    39   1.14150 -1.0 2.0
   50    51   -56    47  -0.94800  1.0 1.0
   50    51   -56    47   2.88400 -1.0 2.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.42700  1.0 1.0
   50    51    57    60  -0.70350 -1.0 2.0
   50    51    57    60  -0.43150  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   51    57    60    61  -0.62250  1.0 1.0
   51    57    60    61  -0.38450 -1.0 2.0
   51    57    60    61   0.81900  1.0 3.0
   56    39   -40    41   7.00000 -1.0 2.0
   56    39    40    43   7.00000 -1.0 2.0
   56    47    48    49   2.45000 -1.0 2.0
   56    47   -48    50   2.45000 -1.0 2.0
   56    51    57    58  -0.18050  1.0 3.0
   56    51    57    59  -0.18050  1.0 3.0
   56    51    57    60   0.09700  1.0 1.0
   56    51    57    60   0.15600 -1.0 2.0
   56    51    57    60  -0.50800  1.0 3.0
   57    51    56    39   1.00000 -1.0 2.0
   57    51    56    47   1.00000 -1.0 2.0
   57    60    61    62   0.32350  1.0 3.0
   57    60    61    63   0.32350  1.0 3.0
   57    60    61    64   0.01700  1.0 1.0
   57    60    61    64  -0.23550 -1.0 2.0
   57    60    61    64   0.21350  1.0 3.0
   58    57    60    61   0.32350  1.0 3.0
   59    57    60    61   0.32350  1.0 3.0
   60    61    64    65   0.15000  1.0 3.0
   60    61    64    66  -2.17200  1.0 1.0
   60    61    64    66  -0.85700 -1.0 2.0
   60    61    64    69   0.71400  1.0 1.0
   60    61    64    69   0.04300 -1.0 2.0
   60    61    64    69   0.01450  1.0 3.0
   61    64    66    67   0.00000  1.0 1.0
   61    64    66    68   0.00000  1.0 1.0
   61    64    69    70   0.00000  1.0 1.0
   61    64    69    71   0.25950  1.0 1.0
   61    64    69    71   0.43850 -1.0 2.0
   61    64    69    71   2.61650  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66  -0.03800  1.0 3.0
   62    61    64    69   0.23200  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66  -0.03800  1.0 3.0
   63    61    64    69   0.23200  1.0 3.0
   64    69    71    72   3.04450 -1.0 2.0
   64    69    71    73   1.15000  1.0 1.0
   64    69    71    73   3.04450 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71  -0.29800  1.0 1.0
   66    64    69    71   0.13950 -1.0 2.0
   66    64    69    71  -2.45650  1.0 3.0
   69    64    66    67   0.00000  1.0 1.0
   69    64    66    68   0.00000  1.0 1.0
   69    71    73    74   0.00000  1.0 1.0
   69    71    73    75   0.00000  1.0 1.0
   69    71    73    76   0.00000  1.0 1.0
   70    69    71    72   2.45000 -1.0 2.0
   70    69    71    73   2.45000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.00000  1.0 1.0
   52    50    51    56   7.00000 -1.0 2.0
   52    50    51    57   7.00000 -1.0 2.0
   43    40    41    42  -0.64400  1.0 1.0
   43    40    41    42   0.26850 -1.0 2.0
   43    40    41    47   1.59650  1.0 1.0
   43    40    41    47   0.42750 -1.0 2.0
   43    40    41    47  -0.48350  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
   33    56    39    40   1.10000 -1.0 2.0
   41    43    40    39   1.10000 -1.0 2.0
   40    47    41    42  10.50000 -1.0 2.0
   56    41    47    48   1.00000 -1.0 2.0
   47    50    48    49  10.50000 -1.0 2.0
   48    52    50    51   1.10000 -1.0 2.0
   57    56    51    50   1.10000 -1.0 2.0
   51    39    56    47   1.00000 -1.0 2.0
   67    64    66    68  10.50000 -1.0 2.0
   70    71    69    64   1.00000 -1.0 2.0
   69    73    71    72  10.50000 -1.0 2.0
END
