* LIGAND DATABASE FILE (OPLS2005)
*
001      69    73    128    217     379
    1     0 S   NP   _N1_     1    28.91156    97.21087   -22.96822
    2     1 S   H    _HN1     2     1.02949    65.89248    21.50403
    3     1 S   H    _H1_     3     1.02827    45.38835   174.79173
    4     1 S   H    _H2_     4     1.02786   103.20409   -82.96897
    5     1 S   CT   _CA1     5     1.50139   143.06738   113.80119
    6     5 S   HC   _HA1     6     1.09582   105.11936   100.99992
    7     5 S   CO3  _C1_     7     1.53691   112.47349   -19.03154
    8     7 S   O2Z  _O11     8     1.26356   115.00701   -42.18005
    9     7 S   O2Z  _O12     9     1.26243   114.90774   136.71949
   10     5 S   CT   _CB1    10     1.53051   107.39037  -141.18815
   11    10 S   HC   HB11    11     1.09836   109.06925   -50.58497
   12    10 S   HC   HB12    12     1.09809   110.56340    65.93140
   13    10 S   CT   _CG1    13     1.53021   112.73241  -171.63907
   14    13 S   HC   HG11    14     1.09572   110.62047   -70.36926
   15    13 S   HC   HG12    15     1.09679   109.76670    48.84903
   16    13 S   C    _CD1    16     1.51858   112.08333   169.06971
   17    16 S   O    _OE1    17     1.22747   123.23356     9.87331
   18    16 S   N    _N2_    18     1.38602   111.74382  -169.83854
   19    18 S   H    _HN2    19     1.01592   118.94421    -0.28046
   20    18 S   CT1  _CA2    20     1.46276   123.48761   175.61930
   21    20 S   HC   _HA2    21     1.09737   109.38977     2.57040
   22    20 S   C    _C2_    22     1.53576   108.57610  -112.78114
   23    22 S   O    _O2_    23     1.23058   122.31858  -148.86816
   24    20 S   CT   _CB2    32     1.53184   111.39023   124.77285
   25    24 S   HC   HB21    33     1.09516   109.94679    55.54498
   26    24 S   HC   HB22    34     1.09510   110.78439   173.92310
   27    22 S   N    _N3_    24     1.38346   113.69218    38.71084
   28    27 S   H    _HN3    25     1.01577   119.52334    -3.56837
   29    24 S   S    _SG2    35     1.82790   111.16790   -67.24793
   30    27 S   CT   _CA3    26     1.45274   123.28535   177.09061
   31    30 S   HC   HA31    27     1.09547   107.53552   -64.14885
   32    30 S   HC   HA32    28     1.09555   107.96713    52.30108
   33    29 S   CT   _C22    36     1.86317    99.62412   143.70385
   34    33 S   HC   _H3_    37     1.09951   106.04777    41.97437
   35    30 S   CO3  _C3_    29     1.52971   114.03980   174.28025
   36    35 S   O2Z  _O31    30     1.26383   116.06504    -0.45111
   37    35 S   O2Z  _O32    31     1.26424   114.42056   179.60435
   38    33 S   CA   _C20    38     1.52197   107.70296   158.22956
   39    33 S   CT   _C23    65     1.56170   110.38262   -77.81457
   40    39 S   OM   _O33    66     1.32834   108.15500   161.52853
   41    39 S   HC   _H4_    67     1.09994   106.70745    34.01622
   42    38 S   CA   _C21    39     1.40475   119.41430   -84.50908
   43    42 S   HA   _H13    40     1.08706   120.34093    -4.31824
   44    42 S   CA   _C4_    41     1.38904   120.34230   174.52407
   45    44 S   HA   _H5_    42     1.08587   120.13837  -179.79158
   46    44 S   CA   _C5_    43     1.39150   119.71648    -1.22589
   47    46 S   HA   _H6_    44     1.08806   118.69374  -178.39112
   48    46 S   CA   _C6_    45     1.40421   120.73253     1.14329
   49    48 S   CA   _C7_    46     1.39210   120.48854  -178.06781
   50    49 S   HA   _H7_    47     1.08800   120.78207    -0.11869
   51    49 S   CA   _C8_    48     1.39511   120.54018   178.80663
   52    51 S   HA   _H8_    49     1.08658   116.29227  -178.95507
   53    51 S   CA   _C9_    50     1.41259   122.40704     2.08675
   54    53 S   CA   _C10    51     1.44122   123.00903   179.34868
   55    53 S   CR3  _C18    63     1.42338   116.93640    -0.08156
   56    54 S   CA   _C11    52     1.42002   124.42115     2.55895
   57    56 S   HA   _H9_    53     1.08608   120.58737     0.23070
   58    38 S   CR3  _C19    64     1.41478   119.72135    91.13268
   59    56 S   CA   _C12    54     1.39719   121.81619   179.84298
   60    59 S   CA   _C13    55     1.38323   120.69945     0.14804
   61    60 S   HA   _H10    56     1.08568   120.96221  -179.76097
   62    59 S   OH   _O34    68     1.36655   121.11132  -179.83929
   63    62 S   HO   _H14    69     0.97208   108.69069     0.45111
   64    60 S   CA   _C14    57     1.39038   119.00408     0.07133
   65    64 S   HA   _H11    58     1.08859   118.36327   179.85463
   66    54 S   CA   _C15    59     1.41615   119.13320  -177.45701
   67    66 S   CA   _C16    60     1.39437   119.85529     0.64377
   68    67 S   HA   _H12    61     1.08971   119.78592   178.08153
   69    67 S   CA   _C17    62     1.40331   121.53131    -1.09271
  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
  13   7   2   1   1  14  10   4   3   8   4   6   3   7   3   8
   7   4   8   3  10  13   6   9   4   2   7   7   4   2   1   5
   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    69    58    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    48    67    69    55    58    39    40    41  
   38    42    69    58    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    46    48    49    53    69    55    58    39    40    41  
   40    41    42    53    55    58    66    67    68    69  
   41    55    67    69  
   55    67    69  
   43    44    45    46    47    48    55    58  
   44    45    46    58  
   45    46    47    48    49    58  
   46    47    48  
   47    48    49    50    51    55    58  
   48    49    58  
   49    50    51    52    53    69    55    58  
   50    51    52    53    54    55    58  
   51    52    53    58  
   52    53    54    56    66    69    55    58  
   53    54    55  
   54    56    57    59    64    66    67    69    55    58  
   56    57    59    60    64    65    66    67    68    69    55    58    62  
   58    56    66    67    68    69  
   57    59    60    61    64    66    67    62    63  
   59    60    66    62  
   67    69  
   60    61    64    65    66    62    63  
   61    64    65    66    67    62    63  
   64    65    66    62  
   63    64  
    0  
   65    66    67    68    69  
   66    67  
   67    68    69  
   68    69  
   69  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    58   490.000  1.398
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    58   490.000  1.398
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    55   490.000  1.398
   54    56   469.000  1.400
   54    66   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   469.000  1.400
   59    62   450.000  1.364
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    55   490.000  1.398
   69    39   317.000  1.510
   55    58   490.000  1.398
   39    40   570.000  1.307
   39    41   340.000  1.090
   62    63   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    80.00000  105.07000
   33    39    69    70.00000  112.17500
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    63.00000  120.00000
   38    58    48    60.00000  130.80000
   38    58    55    60.00000  130.80000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    58    70.00000  112.88000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    58    55    60.00000  130.80000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    55    70.00000  112.88000
   53    51    52    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    54    66    63.00000  120.00000
   53    55    69    60.00000  130.80000
   53    55    58    60.00000  130.80000
   54    56    57    35.00000  120.00000
   54    56    59    63.00000  120.00000
   54    66    64    63.00000  120.00000
   54    66    67    63.00000  120.00000
   56    59    60    63.00000  120.00000
   56    59    62    70.00000  120.00000
   59    56    57    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    64    63.00000  120.00000
   59    62    63    35.00000  113.00000
   60    64    65    35.00000  120.00000
   60    64    66    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    66    67    63.00000  120.00000
   66    54    56    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   67    69    55    70.00000  112.88000
   67    69    39    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    55    58    60.00000  130.80000
   69    39    40    85.00000  111.85700
   69    39    41    35.00000  109.50000
   55    53    54    70.00000  112.88000
   58    38    42    70.00000  112.88000
   58    48    49    70.00000  112.88000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    69    55    80.00000  105.07000
   41    39    40    45.00000  125.66300
   62    59    60    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    44   3.62500 -1.0 2.0
   33    38    58    48   3.62500 -1.0 2.0
   33    38    58    55   3.62500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    69   0.43200  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    69  -0.94300  1.0 1.0
   38    33    39    69   1.32550 -1.0 2.0
   38    33    39    69  -0.07100  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    46   3.62500 -1.0 2.0
   42    38    58    48   3.62500 -1.0 2.0
   42    38    58    55   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44   -46    48   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   44    46    48    58   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48   -58    38   3.62500 -1.0 2.0
   46    48    58    55   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    58   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   49    48    58    38   3.62500 -1.0 2.0
   49    48    58    55   3.62500 -1.0 2.0
   49    51    53    54   3.62500 -1.0 2.0
   49    51   -53    55   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    56   3.62500 -1.0 2.0
   51    53    54    66   3.62500 -1.0 2.0
   51    53    55    69   3.62500 -1.0 2.0
   51    53    55    58   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    59   3.62500 -1.0 2.0
   53    54    66    64   3.62500 -1.0 2.0
   53    54    66    67   3.62500 -1.0 2.0
   53    55    58    38   3.62500 -1.0 2.0
   53    55   -58    48   3.62500 -1.0 2.0
   54    53    55    69   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   54    56    59    60   3.62500 -1.0 2.0
   54    56    59    62   3.62500 -1.0 2.0
   54    66    67    68   3.62500 -1.0 2.0
   54    66   -67    69   3.62500 -1.0 2.0
   56    54    66    64   3.62500 -1.0 2.0
   56    54    66    67   3.62500 -1.0 2.0
   56    59    60    61   3.62500 -1.0 2.0
   56    59   -60    64   3.62500 -1.0 2.0
   56    59    62    63   0.84100 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    62   3.62500 -1.0 2.0
   59    60    64    65   3.62500 -1.0 2.0
   59    60    64    66   3.62500 -1.0 2.0
   60    59    62    63   0.84100 -1.0 2.0
   60    64   -66    54   3.62500 -1.0 2.0
   60    64    66    67   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    69   3.62500 -1.0 2.0
   65    64    66    54   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   66    54    56    57   3.62500 -1.0 2.0
   66    54   -56    59   3.62500 -1.0 2.0
   66    67    69    55   3.62500 -1.0 2.0
   66    67    69    39   3.62500 -1.0 2.0
   67    69   -55    53   3.62500 -1.0 2.0
   67    69    55    58   3.62500 -1.0 2.0
   67    69    39    33   0.04150 -1.0 2.0
   67    69    39    40   0.64500  1.0 1.0
   67    69    39    40   0.14800 -1.0 2.0
   67    69    39    40   0.20650  1.0 3.0
   67    69    39    41   0.00000  1.0 1.0
   68    67    69    55   3.62500 -1.0 2.0
   68    67    69    39   3.62500 -1.0 2.0
   69    55   -58    38   3.62500 -1.0 2.0
   69    55    58    48   3.62500 -1.0 2.0
   55    53    54    56   3.62500 -1.0 2.0
   55    53   -54    66   3.62500 -1.0 2.0
   55    69   -39    33   0.04150 -1.0 2.0
   55    69    39    40   0.64500  1.0 1.0
   55    69    39    40   0.14800 -1.0 2.0
   55    69    39    40   0.20650  1.0 3.0
   55    69    39    41   0.00000  1.0 1.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    44   3.62500 -1.0 2.0
   58    48    49    50   3.62500 -1.0 2.0
   58    48   -49    51   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    69    55    53   3.62500 -1.0 2.0
   39    69   -55    58   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    64   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    58    38    33   4.00000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    58    48    46   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    55    53    51   4.00000 -1.0 2.0
   56    66    54    53   4.00000 -1.0 2.0
   59    57    56    54   1.10000 -1.0 2.0
   60    62    59    56   4.00000 -1.0 2.0
   64    61    60    59   1.10000 -1.0 2.0
   66    65    64    60   1.10000 -1.0 2.0
   64    67    66    54   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   55    39    69    67   4.00000 -1.0 2.0
   69    58    55    53   4.00000 -1.0 2.0
   48    55    58    38   4.00000 -1.0 2.0
END
