* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    218     388
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02135    57.87936  -113.25758
    3     1 S   H    _H1_     3     1.02055   106.64755   -11.27498
    4     1 S   H    _H2_     4     1.02100    54.24237    90.07375
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.82913    98.12276   -78.18638
   34    33 S   HC   _H4_    37     1.09319   106.50812    36.32888
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C23    38     1.52011   109.40015   -80.02748
   39    38 S   O    _O36    39     1.22773   123.37731    26.79406
   40    38 S   CM   _C18    40     1.48479   117.31637  -157.30815
   41    40 S   CM   _C19    41     1.39745   121.08577     6.96987
   42    41 S   CM   _C14    42     1.40017   120.09218  -177.57925
   43    41 S   CO4  _C20    68     1.47812   120.61996     3.23592
   44    43 S   O    _O35    69     1.22651   120.34445  -166.10660
   45    42 S   CM   _C15    43     1.39428   119.98507    -0.58983
   46    42 S   CM   _C12    50     1.46295   123.71339  -178.82364
   47    33 S   CT   _C21    70     1.52215   109.66426   156.68823
   48    47 S   HC   _H3_    71     1.09643   112.35170    54.07604
   49    45 S   CM   _C16    44     1.39224   120.06038     0.01978
   50    49 S   HC   _H7_    45     1.09083   118.53644  -179.82086
   51    45 S   OH   _O39    48     1.36455   121.66575  -179.58741
   52    51 S   HO   _H9_    49     0.96969   110.07458   179.65452
   53    46 S   CO4  _C13    51     1.49388   117.61770   -90.00086
   54    53 S   O    _O34    52     1.22649   119.88859    -0.05595
   55    47 S   OH   _O37    72     1.42134   109.79521   -67.10418
   56    55 S   HO   _H8_    73     0.97000   106.77163   179.52317
   57    40 S   CO4  _C17    46     1.40104   119.27535  -171.40097
   58    57 S   O    _O38    47     1.28461   124.00078    -1.67152
   59    53 S   CA   _C8_    53     1.46524   118.34910  -179.97202
   60    59 S   CA   _C9_    54     1.38812   120.09779    -0.00000
   61    60 S   CA   _C4_    55     1.40205   119.59888  -179.96574
   62    61 S   HA   _H5_    56     1.08985   119.95043  -179.94065
   63    60 S   CO4  _C10    64     1.47519   120.83264     0.03956
   64    63 S   O    _O33    65     1.23014   118.47850   179.88986
   65    61 S   CA   _C5_    57     1.39539   120.25511    -0.00000
   66    65 S   OM   _O42    58     1.28116   120.07075   179.94405
   67    46 S   CO4  _C11    66     1.35808   118.73980    90.04585
   68    67 S   O    _O40    67     1.26667   129.62620    -0.10468
   69    65 S   CA   _C6_    59     1.39209   119.96534     0.00000
   70    69 S   HA   _H6_    60     1.09011   121.05085   179.96044
   71    59 S   CA   _C7_    61     1.40143   119.70610   180.00000
   72    71 S   OH   _O41    62     1.36370   122.80664     0.00000
   73    72 S   HO   _H10    63     0.96943   110.12617     0.00000
  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
  12   7   2   1   1  11   4  11  14  16   8   3   9  11   3   2
   5   3   2   1  10   4   1   1   1   1  12  11   9   4   5   2
   5   3   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    57    43    44    47    48    55    56  
   38    39    40    43    47    48    55  
   36    37  
   37  
    0  
   39    40    41    42    49    57    58    43    47    48    55  
   40    41    57    47  
   41    42    45    49    50    57    58    46    43    44    47  
   42    45    49    57    58    51    46    53    67    43    44    47    48    55  
   45    49    50    57    51    52    46    53    54    59    63    67    68    43    44    47  
   44    47    48    55    56    45    46    57  
   47    48    55  
   49    50    57    58    51    52    46    53    67  
   53    54    59    60    71    63    64    67    68    49    51  
   48    55    56  
   55    56  
   50    57    58    51    52  
   57    58    51  
   52    57  
    0  
   54    59    60    61    69    71    72    63    67    68  
   59    60    71    67  
   56  
    0  
   58  
    0  
   60    61    62    65    69    70    71    72    73    63    64    67  
   61    62    65    66    69    71    72    63    64    67    68  
   62    65    66    69    70    71    63    64    67  
   65    66    69    63  
   64    67    68    65    71  
   67    68  
   66    69    70    71    72  
   69    70    71  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7500   0.1050   0.470000   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    57   320.000  1.462
   41    42   380.000  1.444
   41    43   320.000  1.462
   42    45   380.000  1.444
   42    46   549.000  1.340
   45    49   549.000  1.340
   45    51   510.000  1.338
   49    50   340.000  1.080
   49    57   320.000  1.462
   57    58   570.000  1.229
   51    52   553.000  0.945
   46    53   320.000  1.462
   46    67   320.000  1.462
   53    54   570.000  1.229
   53    59   310.000  1.470
   59    60   469.000  1.400
   59    71   469.000  1.400
   60    61   469.000  1.400
   60    63   310.000  1.470
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   450.000  1.364
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   63    64   570.000  1.229
   63    67   250.000  1.523
   67    68   570.000  1.229
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    55   320.000  1.410
   55    56   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    75.00000  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    47    43    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    57    65.00000  115.30000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    43    65.00000  118.96000
   40    57    49    65.00000  118.65900
   40    57    58    80.00000  123.72100
   41    42    45    70.00000  123.01800
   41    42    46    70.00000  123.01800
   41    43    44    80.00000  123.72100
   41    43    47    65.00000  118.62400
   42    45    49    70.00000  123.01800
   42    45    51    80.00000  121.38400
   42    46    53    65.00000  118.96000
   42    46    67    65.00000  118.96000
   45    49    50    35.00000  120.00000
   45    49    57    65.00000  118.96000
   45    51    52    70.00000  107.45700
   49    57    58    80.00000  123.72100
   57    40    41    65.00000  118.96000
   57    49    50    40.00000  117.72500
   51    45    49    80.00000  121.38400
   46    42    45    70.00000  123.01800
   46    53    54    80.00000  123.72100
   46    53    59    65.00000  117.02400
   46    67    63    65.00000  116.00000
   46    67    68    80.00000  123.72100
   53    59    60    60.00000  119.52600
   53    59    71    60.00000  119.52600
   59    53    54    75.00000  123.78400
   59    60    61    63.00000  120.00000
   59    60    63    60.00000  119.52600
   59    71    69    63.00000  120.00000
   59    71    72    70.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    75.00000  123.78400
   60    63    67    60.00000  117.28700
   61    65    66    70.00000  120.00000
   61    65    69    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    71    63.00000  120.00000
   69    65    66    70.00000  120.00000
   69    71    72    70.00000  120.00000
   71    59    60    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   63    60    61    60.00000  119.52600
   63    67    68    80.00000  119.30300
   67    46    53    65.00000  115.30000
   67    63    64    80.00000  119.30300
   43    41    42    65.00000  118.96000
   43    47    48    35.00000  109.50000
   43    47    55    90.00000  109.61100
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    44    80.00000  120.40000
   47    55    56    55.00000  108.50000
   55    47    48    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.56750  1.0 1.0
   29    33    47    43  -0.07550 -1.0 2.0
   29    33    47    43   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    55   0.56750  1.0 1.0
   29    33    47    55  -0.07550 -1.0 2.0
   29    33    47    55   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    57   1.50000 -1.0 2.0
   33    47    55    56  -0.11600  1.0 1.0
   33    47    55    56  -0.09450 -1.0 2.0
   33    47    55    56   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    55   0.23400  1.0 3.0
   38    33    47    43   0.11950  1.0 1.0
   38    33    47    43   0.20300 -1.0 2.0
   38    33    47    43  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    55  -0.09450  1.0 1.0
   38    33    47    55  -1.12950 -1.0 2.0
   38    33    47    55   0.54000  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    43   7.00000 -1.0 2.0
   38    40    57    49   1.50000 -1.0 2.0
   38    40    57    58   2.50000 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    57   2.50000 -1.0 2.0
   40    41    42    45   0.28850  1.0 1.0
   40    41    42    45   2.61350 -1.0 2.0
   40    41    42    45   0.78400  1.0 3.0
   40    41    42    46   0.28850  1.0 1.0
   40    41    42    46   2.61350 -1.0 2.0
   40    41    42    46   0.78400  1.0 3.0
   40    41    43    44   1.00000 -1.0 2.0
   40    41    43    47  -0.33500  1.0 1.0
   40    41    43    47   1.06600 -1.0 2.0
   40    41    43    47  -0.14000  1.0 3.0
   41    40    57    49  -1.18350  1.0 1.0
   41    40    57    49   1.45950 -1.0 2.0
   41    40    57    58   1.00000 -1.0 2.0
   41    42   -45    49   0.28850  1.0 1.0
   41    42   -45    49   2.61350 -1.0 2.0
   41    42   -45    49   0.78400  1.0 3.0
   41    42    45    51   0.50950  1.0 1.0
   41    42    45    51   0.56650 -1.0 2.0
   41    42    45    51   0.34050  1.0 3.0
   41    42    46    53   7.00000 -1.0 2.0
   41    42    46    67   7.00000 -1.0 2.0
   41    43   -47    33   0.65300  1.0 1.0
   41    43   -47    33  -0.03850 -1.0 2.0
   41    43   -47    33   0.33900  1.0 3.0
   41    43    47    48   0.00000  1.0 1.0
   41    43    47    55   0.65300  1.0 1.0
   41    43    47    55  -0.03850 -1.0 2.0
   41    43    47    55   0.33900  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    47  -0.33500  1.0 1.0
   42    41    43    47   1.06600 -1.0 2.0
   42    41    43    47  -0.14000  1.0 3.0
   42    45    49    50   7.00000 -1.0 2.0
   42    45    49    57   7.00000 -1.0 2.0
   42    45    51    52  -0.66100  1.0 1.0
   42    45    51    52   1.20850 -1.0 2.0
   42    45    51    52  -0.36000  1.0 3.0
   42    46    53    54   1.00000 -1.0 2.0
   42    46    53    59  -1.65800  1.0 1.0
   42    46    53    59   0.77650 -1.0 2.0
   42    46    67    63   0.50400  1.0 1.0
   42    46    67    63   1.60000 -1.0 2.0
   42    46    67    63  -0.01800  1.0 3.0
   42    46    67    68   1.00000 -1.0 2.0
   45    42    46    53   7.00000 -1.0 2.0
   45    42    46    67   7.00000 -1.0 2.0
   45    49   -57    40  -1.18350  1.0 1.0
   45    49   -57    40   1.45950 -1.0 2.0
   45    49    57    58   1.00000 -1.0 2.0
   49    45    51    52  -0.66100  1.0 1.0
   49    45    51    52   1.20850 -1.0 2.0
   49    45    51    52  -0.36000  1.0 3.0
   50    49    57    40   0.93700 -1.0 2.0
   50    49    57    58   0.00000  1.0 1.0
   57    40   -41    42   7.00000 -1.0 2.0
   57    40    41    43   7.00000 -1.0 2.0
   51    45    49    50   7.00000 -1.0 2.0
   51    45    49    57   7.00000 -1.0 2.0
   46    42    45    49   0.28850  1.0 1.0
   46    42    45    49   2.61350 -1.0 2.0
   46    42    45    49   0.78400  1.0 3.0
   46    42    45    51   0.50950  1.0 1.0
   46    42    45    51   0.56650 -1.0 2.0
   46    42    45    51   0.34050  1.0 3.0
   46    53    59    60  -0.11500  1.0 1.0
   46    53    59    60   1.10450 -1.0 2.0
   46    53    59    60  -0.48050  1.0 3.0
   46    53    59    71  -0.11500  1.0 1.0
   46    53    59    71   1.10450 -1.0 2.0
   46    53    59    71  -0.48050  1.0 3.0
   53    46    67    63   1.50000 -1.0 2.0
   53    46    67    68   2.50000 -1.0 2.0
   53    59    60    61   3.62500 -1.0 2.0
   53    59   -60    63   3.62500 -1.0 2.0
   53    59    71    69   3.62500 -1.0 2.0
   53    59    71    72   3.62500 -1.0 2.0
   54    53    59    60   1.05000 -1.0 2.0
   54    53    59    71   1.05000 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    61    65   3.62500 -1.0 2.0
   59    60    63    64   1.05000 -1.0 2.0
   59    60    63    67   0.56600 -1.0 2.0
   59    71    72    73   0.84100 -1.0 2.0
   60    59    71    69   3.62500 -1.0 2.0
   60    59    71    72   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   60    61   -65    69   3.62500 -1.0 2.0
   60    63   -67    46   0.43900  1.0 1.0
   60    63   -67    46  -0.18150 -1.0 2.0
   60    63   -67    46  -0.03650  1.0 3.0
   60    63    67    68   0.03000  1.0 1.0
   60    63    67    68   0.58800 -1.0 2.0
   60    63    67    68   0.15550  1.0 3.0
   61    60    63    64   1.05000 -1.0 2.0
   61    60    63    67   0.56600 -1.0 2.0
   61    65    69    70   3.62500 -1.0 2.0
   61    65    69    71   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    69   3.62500 -1.0 2.0
   65    69   -71    59   3.62500 -1.0 2.0
   65    69    71    72   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    59   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    59   -60    61   3.62500 -1.0 2.0
   71    59    60    63   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   64    63    67    46   0.03000  1.0 1.0
   64    63    67    46   0.58800 -1.0 2.0
   64    63    67    46   0.15550  1.0 3.0
   64    63    67    68   0.06100 -1.0 2.0
   67    46    53    54   2.50000 -1.0 2.0
   67    46   -53    59   1.50000 -1.0 2.0
   43    41    42    45  -0.18600  1.0 3.0
   43    41    42    46  -0.18600  1.0 3.0
   43    47    55    56   0.91850  1.0 1.0
   43    47    55    56   0.57950  1.0 3.0
   44    43    47    33   0.30150 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    55   0.30150 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    57    40    41   1.10000 -1.0 2.0
   42    43    41    40   1.10000 -1.0 2.0
   41    45    42    46   1.10000 -1.0 2.0
   42    51    45    49   1.10000 -1.0 2.0
   57    50    49    45   1.10000 -1.0 2.0
   40    49    57    58  10.50000 -1.0 2.0
   53    67    46    42   1.10000 -1.0 2.0
   46    59    53    54  10.50000 -1.0 2.0
   60    71    59    53   4.00000 -1.0 2.0
   61    63    60    59   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   69    66    65    61   4.00000 -1.0 2.0
   71    70    69    65   1.10000 -1.0 2.0
   69    72    71    59   4.00000 -1.0 2.0
   60    67    63    64  10.50000 -1.0 2.0
   46    63    67    68  10.50000 -1.0 2.0
   41    47    43    44  10.50000 -1.0 2.0
END
