* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    132    220     393
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02114    80.88891   -82.63273
    3     1 S   H    _H1_     3     1.02063    98.14448    25.11209
    4     1 S   H    _H2_     4     1.02165    35.60632   136.03432
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.84209    97.80262   161.85749
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C12    37     1.51504   109.75239  -180.00000
   38    33 S   CO4  _C16    68     1.52041   109.18479    57.06704
   39    38 S   O    _O20    69     1.22813   123.89872    21.44363
   40    37 S   CA   _C11    38     1.40294   111.20591    98.07405
   41    40 S   CA   _C7_    39     1.38728   120.84588  -178.32626
   42    41 S   HA   _H28    40     1.08715   120.51374   179.10869
   43    40 S   CT   _C18    51     1.50450   110.52079    -1.83920
   44    43 S   HC   _H30    52     1.13638   108.48538   -92.15092
   45    41 S   CA   _C13    41     1.39580   118.64731    -1.23891
   46    33 S   CT   _C19    53     1.55536   109.81600   -69.57312
   47    46 S   HC   _H31    54     1.08156   109.50307    29.32688
   48    43 S   NT   _N19    70     1.45450   114.45962   147.62664
   49    48 S   H    _H35    71     0.99696   118.08821  -155.97298
   50    48 S   H    _H36    72     0.99717   118.09432    37.42371
   51    45 S   CA   _C8_    42     1.40103   120.62107     0.86411
   52    51 S   HA   _H29    43     1.08704   119.76449  -179.49410
   53    45 S   CT   _C21    47     1.49281   119.68271  -178.63656
   54    53 S   HC   _H32    48     1.09695   110.34359    90.04147
   55    53 S   HC   _H33    49     1.09760   111.21008  -149.50990
   56    53 S   HC   _H34    50     1.09733   111.27534   -30.51773
   57    46 S   CO4  _C17    55     1.53289   114.90168   149.26231
   58    57 S   O    _O21    56     1.23042   121.20819  -178.05177
   59    37 S   CA   _C15    44     1.38992   128.18777   -80.80218
   60    57 S   CA   _C10    57     1.47517   120.13977     0.39664
   61    59 S   OH   _O23    45     1.35817   122.14968    -2.19258
   62    61 S   HO   _H38    46     0.97174   110.36704  -178.76378
   63    60 S   CA   _C9_    58     1.39113   121.28213   -15.91918
   64    63 S   CA   _C5_    59     1.40066   120.22271  -177.16800
   65    64 S   HA   _H26    60     1.08597   121.37880   178.85346
   66    64 S   CA   _C4_    61     1.39408   119.99875    -0.48214
   67    66 S   HA   _H25    62     1.08633   120.04080  -179.97202
   68    66 S   CA   _C6_    63     1.39184   119.99172     0.25641
   69    68 S   HA   _H27    64     1.08697   119.54256  -179.70525
   70    60 S   CA   _C14    65     1.40144   119.12632   166.63339
   71    70 S   OH   _O22    66     1.36408   123.00329    -2.38671
   72    71 S   HO   _H37    67     0.96898   110.11101     0.01978
  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  11   5   4   3
  18   2   1   1  18  13   4  15  13   4  11   6   8  10   4   3
   1   1   8   3   4   2   1   1   7   3   2   9   1   1   7   6
   3   5   3   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    59    43    46    47    57    63    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    51    59    61    43    44    46    47    57    58    60    63    64    38    39    48  
   35    36  
   36  
    0  
   40    41    42    45    51    52    59    61    62    43    44    46    47    57    63    38    39    48  
   39    40    43    46    47    57    59    60    63    64    65    66    70  
   46    60    63    64  
   41    42    45    51    59    61    53    43    44    46    47    57    48    49    50  
   42    45    51    52    59    53    54    55    56    43    44    46    48  
   45    51    53    43  
   44    46    47    57    58    60    48    49    50    45    59  
   46    47    57    48    49    50  
   51    52    59    61    53    54    55    56  
   47    57    58    60    63    70    48    49    50    59  
   57    58    60    48  
   49    50    57  
   50  
    0  
   52    59    61    62    53    54    55    56  
   59    61    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58    60    63    64    68    70    71  
   60    63    70  
   61    62  
   63    64    65    66    68    69    70    71    72  
   62  
    0  
   64    65    66    67    68    70    71  
   65    66    67    68    69    70  
   66    67    68  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   71    72  
   72  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.235000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    46   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    59   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    51   469.000  1.400
   45    53   317.000  1.510
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    61   450.000  1.364
   61    62   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   382.000  1.448
   46    47   340.000  1.090
   46    57   317.000  1.522
   57    58   570.000  1.229
   57    60   310.000  1.470
   60    63   469.000  1.400
   60    70   469.000  1.400
   63    64   469.000  1.400
   63    38   310.000  1.470
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   38    39   570.000  1.229
   48    49   434.000  1.010
   48    50   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    46    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    59    70.00000  120.00000
   33    46    43    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    57    63.00000  111.10000
   33    38    63    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    59    51    63.00000  120.00000
   37    59    61    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    75.00000  112.33000
   41    45    51    63.00000  120.00000
   41    45    53    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    51    52    35.00000  120.00000
   45    51    59    63.00000  120.00000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    56    35.00000  109.50000
   51    59    61    70.00000  120.00000
   59    37    40    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    61    62    35.00000  113.00000
   53    45    51    70.00000  120.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    57    63.00000  111.10000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   46    33    37    70.00000  112.17500
   46    43    44    37.50000  110.70000
   46    57    58    80.00000  120.40000
   46    57    60    65.00000  115.47100
   57    46    47    35.00000  109.50000
   57    60    63    60.00000  119.52600
   57    60    70    60.00000  119.52600
   60    57    58    75.00000  123.78400
   60    63    64    63.00000  120.00000
   60    63    38    60.00000  119.52600
   60    70    68    63.00000  120.00000
   60    70    71    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    38    39    75.00000  123.78400
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    60    63    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    46    63.00000  111.10000
   38    63    64    60.00000  119.52600
   48    43    44    35.00000  109.50000
   48    43    46    56.20000  109.47000
   50    48    49    43.60000  106.40000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    59  -0.16000  1.0 1.0
   29    33    37    59  -0.03200 -1.0 2.0
   29    33    37    59   0.04500  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    57   0.56750  1.0 1.0
   29    33    46    57  -0.07550 -1.0 2.0
   29    33    46    57   0.20000  1.0 3.0
   29    33    38    63   0.65300  1.0 1.0
   29    33    38    63  -0.03850 -1.0 2.0
   29    33    38    63   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37   -40    43   3.62500 -1.0 2.0
   33    37    59    51   3.62500 -1.0 2.0
   33    37    59    61   3.62500 -1.0 2.0
   33    46    57    58   0.30150 -1.0 2.0
   33    46    57    60   0.05850 -1.0 2.0
   33    46    57    60   0.17250  1.0 3.0
   37    33   -46    43  -0.03700  1.0 1.0
   37    33   -46    43   0.37200 -1.0 2.0
   37    33   -46    43  -0.47300  1.0 3.0
   37    33    46    47   0.43200  1.0 3.0
   37    33    46    57   0.56750  1.0 1.0
   37    33    46    57  -0.07550 -1.0 2.0
   37    33    46    57   0.20000  1.0 3.0
   37    33    38    63   0.65300  1.0 1.0
   37    33    38    63  -0.03850 -1.0 2.0
   37    33    38    63   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48   0.18550 -1.0 2.0
   37    40    43    48   0.14000  1.0 3.0
   37    59    61    62   0.84100 -1.0 2.0
   40    37    59    51   3.62500 -1.0 2.0
   40    37    59    61   3.62500 -1.0 2.0
   40    41   -45    51   3.62500 -1.0 2.0
   40    41    45    53   3.62500 -1.0 2.0
   40    43   -46    33  -0.03700  1.0 1.0
   40    43   -46    33   0.37200 -1.0 2.0
   40    43   -46    33  -0.47300  1.0 3.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    57   0.56750  1.0 1.0
   40    43    46    57  -0.07550 -1.0 2.0
   40    43    46    57   0.20000  1.0 3.0
   40    43    48    49   0.76500  1.0 1.0
   40    43    48    49   0.05700 -1.0 2.0
   40    43    48    49  -0.90900  1.0 3.0
   40    43    48    50   0.76500  1.0 1.0
   40    43    48    50   0.05700 -1.0 2.0
   40    43    48    50  -0.90900  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48   0.18550 -1.0 2.0
   41    40    43    48   0.14000  1.0 3.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    59   3.62500 -1.0 2.0
   41    45    53    54   0.00000  1.0 1.0
   41    45    53    55   0.00000  1.0 1.0
   41    45    53    56   0.00000  1.0 1.0
   42    41    45    51   3.62500 -1.0 2.0
   42    41    45    53   3.62500 -1.0 2.0
   45    51   -59    37   3.62500 -1.0 2.0
   45    51    59    61   3.62500 -1.0 2.0
   51    45    53    54   0.00000  1.0 1.0
   51    45    53    55   0.00000  1.0 1.0
   51    45    53    56   0.00000  1.0 1.0
   51    59    61    62   0.84100 -1.0 2.0
   52    51    59    37   3.62500 -1.0 2.0
   52    51    59    61   3.62500 -1.0 2.0
   59    37   -40    41   3.62500 -1.0 2.0
   59    37    40    43   3.62500 -1.0 2.0
   53    45    51    52   3.62500 -1.0 2.0
   53    45    51    59   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46    57    58   0.30150 -1.0 2.0
   43    46    57    60   0.05850 -1.0 2.0
   43    46    57    60   0.17250  1.0 3.0
   44    43    46    33   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    57  -0.11250  1.0 3.0
   44    43    48    49   0.20000  1.0 3.0
   44    43    48    50   0.20000  1.0 3.0
   46    33   -37    40   0.04150 -1.0 2.0
   46    33    37    59   0.04150 -1.0 2.0
   46    33    38    63   0.05850 -1.0 2.0
   46    33    38    63   0.17250  1.0 3.0
   46    33    38    39   0.30150 -1.0 2.0
   46    43    48    49  -0.05950  1.0 1.0
   46    43    48    49   0.08850 -1.0 2.0
   46    43    48    49   0.11750  1.0 3.0
   46    43    48    50  -0.05950  1.0 1.0
   46    43    48    50   0.08850 -1.0 2.0
   46    43    48    50   0.11750  1.0 3.0
   46    57   -60    63   2.26350  1.0 1.0
   46    57   -60    63   0.76750 -1.0 2.0
   46    57   -60    63   0.22500  1.0 3.0
   46    57    60    70   2.26350  1.0 1.0
   46    57    60    70   0.76750 -1.0 2.0
   46    57    60    70   0.22500  1.0 3.0
   47    46    57    58   0.00000  1.0 1.0
   47    46    57    60   0.00000  1.0 1.0
   57    60    63    64   3.62500 -1.0 2.0
   57    60    63    38   3.62500 -1.0 2.0
   57    60    70    68   3.62500 -1.0 2.0
   57    60    70    71   3.62500 -1.0 2.0
   58    57    60    63   1.05000 -1.0 2.0
   58    57    60    70   1.05000 -1.0 2.0
   60    63    64    65   3.62500 -1.0 2.0
   60    63    64    66   3.62500 -1.0 2.0
   60    63   -38    33   2.26350  1.0 1.0
   60    63   -38    33   0.76750 -1.0 2.0
   60    63   -38    33   0.22500  1.0 3.0
   60    63    38    39   1.05000 -1.0 2.0
   60    70    71    72   0.84100 -1.0 2.0
   63    60    70    68   3.62500 -1.0 2.0
   63    60    70    71   3.62500 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64   -66    68   3.62500 -1.0 2.0
   64    63    38    33   2.26350  1.0 1.0
   64    63    38    33   0.76750 -1.0 2.0
   64    63    38    33   0.22500  1.0 3.0
   64    63    38    39   1.05000 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68   -70    60   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    60   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    60   -63    64   3.62500 -1.0 2.0
   70    60    63    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    59   0.04300 -1.0 2.0
   38    33    46    43  -0.95700  1.0 1.0
   38    33    46    43  -0.18200 -1.0 2.0
   38    33    46    43   0.29450  1.0 3.0
   38    33    46    47  -0.11250  1.0 3.0
   38    33   -46    57   0.11950  1.0 1.0
   38    33   -46    57   0.20300 -1.0 2.0
   38    33   -46    57  -0.70800  1.0 3.0
   38    63    64    65   3.62500 -1.0 2.0
   38    63    64    66   3.62500 -1.0 2.0
   48    43    46    33   1.85550  1.0 1.0
   48    43    46    33  -0.84100 -1.0 2.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    57  -3.56550  1.0 1.0
   48    43    46    57  -0.67500 -1.0 2.0
   48    43    46    57   1.11300  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   40    59    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   51    53    45    41   4.00000 -1.0 2.0
   59    52    51    45   1.10000 -1.0 2.0
   51    61    59    37   4.00000 -1.0 2.0
   46    60    57    58  10.50000 -1.0 2.0
   63    70    60    57   4.00000 -1.0 2.0
   64    38    63    60   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   68    71    70    60   4.00000 -1.0 2.0
   33    63    38    39  10.50000 -1.0 2.0
END
