* LIGAND DATABASE FILE (OPLS2005)
*
001      70    69    125    183     368
    1     0 S   NP   _N1_     1    29.91317    93.67182   -26.21999
    2     1 S   H    _HN1     2     1.02780   113.95063  -109.23673
    3     1 S   H    _H1_     3     1.03018    96.79170     4.09668
    4     1 S   H    _H2_     4     1.02815    10.53672  -166.21867
    5     1 S   CT   _CA1     5     1.50124   114.18220   120.07695
    6     5 S   HC   _HA1     6     1.09560   105.27272    71.41778
    7     5 S   CO3  _C1_     7     1.53817   112.37512   -48.99197
    8     7 S   O2Z  _O11     8     1.26378   115.07013   -44.09468
    9     7 S   O2Z  _O12     9     1.26246   114.91255   135.00494
   10     5 S   CT   _CB1    10     1.52980   107.30700  -170.49792
   11    10 S   HC   HB11    11     1.09826   109.55543   -48.54145
   12    10 S   HC   HB12    12     1.09700   110.23604    68.09718
   13    10 S   CT   _CG1    13     1.52927   112.92364  -169.84464
   14    13 S   HC   HG11    14     1.09580   110.56969   -61.45021
   15    13 S   HC   HG12    15     1.09633   110.06018    57.98448
   16    13 S   C    _CD1    16     1.51772   111.83911   178.35218
   17    16 S   O    _OE1    17     1.22756   123.22011    -1.45965
   18    16 S   N    _N2_    18     1.38628   111.79903   178.57976
   19    18 S   H    _HN2    19     1.01567   119.18990     2.36951
   20    18 S   CT1  _CA2    20     1.46136   123.01934  -179.61692
   21    20 S   HC   _HA2    21     1.09748   109.22545    -1.06165
   22    20 S   C    _C2_    22     1.53455   108.77549  -116.61620
   23    22 S   O    _O2_    23     1.23051   122.32214  -148.61505
   24    20 S   CT   _CB2    32     1.53386   111.94908   120.45447
   25    24 S   HC   HB21    33     1.09583   110.51927    61.13695
   26    24 S   HC   HB22    34     1.09396   109.41385   179.60933
   27    22 S   N    _N3_    24     1.38359   113.66010    38.76969
   28    27 S   H    _HN3    25     1.01608   119.52194    -3.36813
   29    24 S   S    _SG2    35     1.82753   111.71042   -59.16346
   30    27 S   CT   _CA3    26     1.45287   123.13662   177.03205
   31    30 S   HC   HA31    27     1.09551   107.48945   -64.77733
   32    30 S   HC   HA32    28     1.09559   107.98618    51.63113
   33    29 S   CT   _C5_    36     1.84081    99.81642  -162.83249
   34    33 S   HC   _H3_    37     1.09657   106.96211   -41.58827
   35    30 S   CO3  _C3_    29     1.52939   114.15930   173.65038
   36    35 S   O2Z  _O31    30     1.26365   116.08488    -0.69041
   37    35 S   O2Z  _O32    31     1.26437   114.40699   179.38930
   38    33 S   CT   _C4_    38     1.53316   107.07541  -156.34657
   39    38 S   HC   _H5_    39     1.09566   112.31874   -62.66413
   40    38 S   HC   _H6_    40     1.09640   111.08271    58.32403
   41    38 S   HC   _H7_    41     1.09492   110.97691   176.80077
   42    33 S   CT1  _C6_    42     1.54782   112.07458    79.01265
   43    42 S   HC   _H4_    43     1.09676   109.91942   -56.46688
   44    42 S   CO3  _C7_    44     1.54506   108.07684  -171.67784
   45    44 S   O2Z  _O34    45     1.26483   114.83004    69.62356
   46    44 S   O2Z  _O33    46     1.26414   115.87137  -110.49268
   47    42 S   N    _N4_    47     1.46533   112.62909    63.32791
   48    47 S   H    _H8_    48     1.01572   116.66532    80.57250
   49    47 S   C    _C8_    49     1.38324   123.93063  -100.82275
   50    49 S   O    _O35    50     1.22854   125.55640    -2.40973
   51    49 S   CT   _C9_    51     1.51505   112.76067   176.80273
   52    51 S   HC   _H9_    52     1.09679   108.26507    45.43905
   53    51 S   HC   _H10    53     1.09574   108.93655   161.34087
   54    51 S   CT   _C10    54     1.52837   111.97245   -75.36476
   55    54 S   HC   _H11    55     1.09651   110.48376    49.40389
   56    54 S   HC   _H12    56     1.09692   108.40805   166.26068
   57    54 S   CT   _C11    57     1.53223   112.45555   -73.39733
   58    57 S   HC   _H13    58     1.09602   110.22553    58.42571
   59    57 S   HC   _H14    59     1.09675   109.34732   -59.11403
   60    57 S   CT   _C12    60     1.53050   111.11518   179.70261
   61    60 S   HC   _H15    61     1.09692   109.58624    54.75661
   62    60 S   HC   _H16    62     1.09692   109.41763   -62.44497
   63    60 S   CT   _C13    63     1.53139   111.60010   175.98668
   64    63 S   HC   _H17    64     1.09657   109.32790    57.50313
   65    63 S   HC   _H18    65     1.09732   108.97687   -59.59095
   66    63 S   CT   _C14    66     1.52628   110.83338   178.99770
   67    66 S   HC   _H19    67     1.09478   110.55182   -62.91737
   68    66 S   HC   _H20    68     1.09472   110.66426    56.68470
   69    66 S   SH   _S1_    69     1.81605   110.86367   176.72374
   70    69 S   HS   _H21    70     1.34125    96.33466   179.44999
  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  10   5   4   3
  13   8   2   1   1   7   3   2   1   9   6   5   2   1   7   3
   8   4   9   5   4   9   5   4   9   5   4   9   5   4   7   5
   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    49  
   38    39    40    41    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    48    49    50    51  
   44    45    46    47    48    49  
   45    46    47    48    49  
   46    47  
   47  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51    52    53    54    55    56    57  
   51    52    53    54  
   52    53    54    55    56    57    58    59    60  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57    58    59    60    61    62    63  
   56    57    58    59    60  
   57    58    59    60  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   2.5000   0.0300   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   70   0.5000   0.0300   0.155000   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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    47   337.000  1.449
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   434.000  1.010
   47    49   490.000  1.335
   49    50   570.000  1.229
   49    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   222.000  1.810
   69    70   274.000  1.336
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  111.63000
   29    33    42    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    47    80.00000  109.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    70.00000  117.00000
   42    44    46    70.00000  117.00000
   42    47    48    38.00000  118.40000
   42    47    49    50.00000  121.90000
   44    42    43    35.00000  109.50000
   46    44    45    80.00000  126.00000
   47    42    43    35.00000  109.50000
   47    42    44    63.00000  110.10000
   47    49    50    80.00000  122.90000
   47    49    51    70.00000  116.60000
   49    47    48    35.00000  119.80000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    54    63.00000  111.10000
   51    49    50    80.00000  120.40000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    50.00000  108.60000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    44.00000   96.00000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    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    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44  -2.17200  1.0 1.0
   29    33    42    44  -0.85700 -1.0 2.0
   29    33    42    47   0.71400  1.0 1.0
   29    33    42    47   0.04300 -1.0 2.0
   29    33    42    47   0.01450  1.0 3.0
   33    42    44    45   0.00000  1.0 1.0
   33    42    44    46   0.00000  1.0 1.0
   33    42    47    48   0.00000  1.0 1.0
   33    42    47    49   0.25950  1.0 1.0
   33    42    47    49   0.43850 -1.0 2.0
   33    42    47    49   2.61650  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.03800  1.0 3.0
   34    33    42    47   0.23200  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.84850  1.0 1.0
   38    33    42    44  -0.22800 -1.0 2.0
   38    33    42    44   0.29250  1.0 3.0
   38    33    42    47   0.42250  1.0 1.0
   38    33    42    47  -0.48100 -1.0 2.0
   38    33    42    47   0.35650  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    47    49    50   3.04450 -1.0 2.0
   42    47    49    51   1.15000  1.0 1.0
   42    47    49    51   3.04450 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    49  -0.29800  1.0 1.0
   44    42    47    49   0.13950 -1.0 2.0
   44    42    47    49  -2.45650  1.0 3.0
   47    42    44    45   0.00000  1.0 1.0
   47    42    44    46   0.00000  1.0 1.0
   47    49    51    52   0.00000  1.0 1.0
   47    49    51    53   0.00000  1.0 1.0
   47    49    51    54   1.39750  1.0 1.0
   47    49    51    54  -0.07950 -1.0 2.0
   47    49    51    54  -0.18750  1.0 3.0
   48    47    49    50   2.45000 -1.0 2.0
   48    47    49    51   2.45000 -1.0 2.0
   49    51    54    55  -0.11250  1.0 3.0
   49    51    54    56  -0.11250  1.0 3.0
   49    51    54    57  -0.95700  1.0 1.0
   49    51    54    57  -0.18200 -1.0 2.0
   49    51    54    57   0.29450  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    54   0.30150 -1.0 2.0
   51    54    57    58   0.15000  1.0 3.0
   51    54    57    59   0.15000  1.0 3.0
   51    54    57    60   0.56750  1.0 1.0
   51    54    57    60  -0.07550 -1.0 2.0
   51    54    57    60   0.20000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62   0.15000  1.0 3.0
   54    57    60    63   0.56750  1.0 1.0
   54    57    60    63  -0.07550 -1.0 2.0
   54    57    60    63   0.20000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.56750  1.0 1.0
   57    60    63    66  -0.07550 -1.0 2.0
   57    60    63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.43650  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    69    70  -0.37950  1.0 1.0
   63    66    69    70  -0.15600 -1.0 2.0
   63    66    69    70   0.18750  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   67    66    69    70   0.22550  1.0 3.0
   68    66    69    70   0.22550  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
   45    42    44    46  10.50000 -1.0 2.0
   48    49    47    42   1.00000 -1.0 2.0
   47    51    49    50  10.50000 -1.0 2.0
END
