* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    143    219     413
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02044   104.70505   -33.26974
    3     1 S   H    _H1_     3     1.02132    67.73692    71.26786
    4     1 S   H    _H2_     4     1.02092    45.16559  -135.15329
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C17    36     1.80833    98.58774   161.81769
   34    33 S   HC   _H17    37     1.09282   109.25034   -59.21748
   35    33 S   HC   _H18    38     1.09329   109.34086    58.96208
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C16    39     1.48591   110.03177  -179.98022
   40    39 S   CM   _C15    40     1.33428   128.24535  -119.65442
   41    40 S   OS   _O34    41     1.38782   115.59613   177.16075
   42    40 S   OH   _O35    74     1.36856   124.16310    -0.75589
   43    42 S   HO   _H19    75     0.96635   110.49230  -180.00000
   44    41 S   CT   _C13    42     1.44787   103.70345    12.50541
   45    44 S   HC   _H6_    43     1.09504   105.33508    98.11124
   46    44 S   CT   _C14    44     1.53922   108.78963  -142.30939
   47    46 S   HC   _H15    45     1.08852   109.35588   137.34582
   48    46 S   HC   _H16    46     1.09747   110.44935    21.72289
   49    39 S   CT   _C12    61     1.49409   123.04136    56.42078
   50    49 S   HC   _H5_    62     1.09809   108.45897   -72.60478
   51    46 S   CM   _C5_    47     1.51554   112.12953   -99.42138
   52    51 S   CM   _C6_    48     1.34915   125.50301  -107.42281
   53    52 S   HC   _H10    49     1.09116   116.86089   177.45117
   54    51 S   CT   _C4_    70     1.50907   114.78225    71.73923
   55    54 S   HC   _H7_    71     1.08442   109.04699   -89.17969
   56    54 S   HC   _H8_    72     1.08488   109.09187   150.55976
   57    54 S   HC   _H9_    73     1.08514   109.02215    30.93832
   58    52 S   CT   _C7_    50     1.51106   130.77784    -2.61644
   59    58 S   HC   _H3_    51     1.09822   106.65980  -149.26948
   60    58 S   CT   _C8_    52     1.53429   114.93626    92.18962
   61    60 S   HC   _H11    53     1.09870   109.09429    70.10581
   62    60 S   HC   _H12    54     1.09789   108.81264  -174.35607
   63    58 S   OH   _O36    68     1.42295   113.34349   -34.66404
   64    63 S   HO   _H23    69     0.97108   106.71614  -179.97202
   65    60 S   C3T  _C9_    55     1.49857   114.21517   -51.98974
   66    65 S   C3T  _C10    56     1.50966   122.47001   -75.14328
   67    66 S   HC   _H4_    57     1.08126   120.08487     5.49982
   68    65 S   CT   _C18    64     1.49651   114.48668    90.80055
   69    68 S   HC   _H20    65     1.10060   111.33721   179.97202
   70    68 S   HC   _H21    66     1.10027   111.34561    60.03106
   71    68 S   HC   _H22    67     1.09887   111.37668   -60.00225
   72    66 S   CT   _C11    58     1.49917   121.10594   159.08334
   73    72 S   HC   _H13    59     1.09775   107.33145   146.33238
   74    72 S   HC   _H14    60     1.09687   111.40931    31.01857
   75    65 S   O3T  _O33    63     1.43615   114.19073  -141.66802
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  13   7  13   5   4
   9   4  10  13   5   4   2   1   1  10   6  13   6   5   2   1
  10   9   5   5   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    72    49    50    42  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    44    45    46    66    72    73    74    49    50    42    43  
   41    44    45    46    72    49    50    42    43  
   44    45    46    47    48    51    72    49    50    42    43  
   43    44    49  
    0  
   45    46    47    48    51    52    66    72    73    74    49    50    54  
   46    47    48    51    72    49    50  
   47    48    51    52    53    58    72    49    50    54    55    56    57  
   48    51    52    49    54  
   51    52    49    54  
   50    75    51    65    66    67    72    73    74  
   66    72    73    74  
   52    53    58    59    60    63    54    55    56    57  
   53    58    59    60    61    62    65    63    64    54    55    56    57  
   58    59    60    63    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    65    66    75    68    63    64  
   60    61    62    65    63    64  
   61    62    65    66    67    72    75    68    69    70    71    63    64  
   62    65    66    75    68    63  
   65    66    75    68    63  
   64    65  
    0  
   66    67    72    73    74    75    68    69    70    71  
   67    72    73    74    75    68    69    70    71  
   72    73    74    75    68  
   69    70    71    72    75  
   70    71    75  
   71    75  
   75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    49   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   275.000  1.510
   65    66   260.000  1.509
   65    75   335.000  1.432
   65    68   275.000  1.510
   66    67   340.000  1.088
   66    72   275.000  1.510
   66    75   335.000  1.432
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    49   268.000  1.529
   49    50   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   63    64   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    49    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    49    44    70.00000  112.02700
   39    49    72    70.00000  112.02700
   39    49    50    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.02700
   44    49    72    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  124.00000
   46    51    54    65.00000  117.92700
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  112.02700
   52    58    63    90.00000  110.39200
   58    52    53    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    65    70.00000  112.37300
   58    63    64    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    65    66    60.00000  120.94000
   60    65    75    80.00000  116.47100
   60    65    68    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    45.00000  109.38400
   65    60    62    45.00000  109.38400
   65    66    67    37.50000  117.20000
   65    66    72    60.00000  120.94000
   65    66    75    15.00000   60.43100
   65    75    66    15.00000   59.14900
   65    68    69    45.00000  109.38400
   65    68    70    45.00000  109.38400
   65    68    71    45.00000  109.38400
   66    72    73    45.00000  109.38400
   66    72    74    45.00000  109.38400
   66    72    49    70.00000  112.37300
   72    66    67    40.00000  115.04500
   72    49    50    37.50000  110.70000
   74    72    73    33.00000  107.80000
   49    39    40    70.00000  124.00000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    37.50000  110.70000
   75    65    66    15.00000   60.43100
   75    66    67    50.00000  114.27700
   75    66    72    80.00000  116.47100
   68    65    66    60.00000  120.94000
   68    65    75    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    50.00000  109.50000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    49   0.30250  1.0 1.0
   29    33    39    49  -0.14950 -1.0 2.0
   29    33    39    49   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    49    44   0.46850  1.0 1.0
   33    39    49    44   0.08550 -1.0 2.0
   33    39    49    44   0.09800  1.0 3.0
   33    39    49    72   0.46850  1.0 1.0
   33    39    49    72   0.08550 -1.0 2.0
   33    39    49    72   0.09800  1.0 3.0
   33    39    49    50   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -49    44   0.09850  1.0 1.0
   40    39   -49    44   0.15250 -1.0 2.0
   40    39   -49    44  -0.50650  1.0 3.0
   40    39    49    72   0.09850  1.0 1.0
   40    39    49    72   0.15250 -1.0 2.0
   40    39    49    72  -0.50650  1.0 3.0
   40    39    49    50   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    49  -0.46850  1.0 1.0
   40    41   -44    49   0.09300 -1.0 2.0
   40    41   -44    49  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    51   0.61850  1.0 1.0
   41    44    46    51  -0.22750 -1.0 2.0
   41    44    46    51   0.15300  1.0 3.0
   41    44   -49    39   0.61850  1.0 1.0
   41    44   -49    39  -0.22750 -1.0 2.0
   41    44   -49    39   0.15300  1.0 3.0
   41    44    49    72   0.62750  1.0 1.0
   41    44    49    72  -0.30950 -1.0 2.0
   41    44    49    72   0.27300  1.0 3.0
   41    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.09850  1.0 1.0
   44    46    51    52   0.15250 -1.0 2.0
   44    46    51    52  -0.50650  1.0 3.0
   44    46    51    54   0.46850  1.0 1.0
   44    46    51    54   0.08550 -1.0 2.0
   44    46    51    54   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    72   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.34400  1.0 1.0
   46    44    49    39   0.09450 -1.0 2.0
   46    44    49    39   0.11100  1.0 3.0
   46    44    49    72   0.56750  1.0 1.0
   46    44    49    72  -0.07550 -1.0 2.0
   46    44    49    72   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   7.00000 -1.0 2.0
   46    51    52    58   7.00000 -1.0 2.0
   46    51    54    55   0.34800  1.0 3.0
   46    51    54    56   0.34800  1.0 3.0
   46    51    54    57   0.34800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    54   0.34800  1.0 3.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.09850  1.0 1.0
   51    52    58    60   0.15250 -1.0 2.0
   51    52    58    60  -0.50650  1.0 3.0
   51    52    58    63   0.67800  1.0 1.0
   51    52    58    63   0.47050 -1.0 2.0
   51    52    58    63  -0.62500  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.15000  1.0 3.0
   52    58    60    65   0.34400  1.0 1.0
   52    58    60    65   0.09450 -1.0 2.0
   52    58    60    65   0.11100  1.0 3.0
   52    58    63    64  -0.07800  1.0 1.0
   52    58    63    64  -0.21500 -1.0 2.0
   52    58    63    64  -0.03150  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    63   0.00000  1.0 1.0
   58    60    65    66   0.07850  1.0 1.0
   58    60    65    66  -0.03950 -1.0 2.0
   58    60    65    66   0.67350  1.0 3.0
   58    60    65    75   0.02550  1.0 1.0
   58    60    65    75  -0.02600 -1.0 2.0
   58    60    65    75   1.20400  1.0 3.0
   58    60    65    68   0.56750  1.0 1.0
   58    60    65    68  -0.07550 -1.0 2.0
   58    60    65    68   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    65   0.15000  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   60    58    63    64  -0.11600  1.0 1.0
   60    58    63    64  -0.09450 -1.0 2.0
   60    58    63    64   0.21250  1.0 3.0
   60    65    66    67   0.15000  1.0 3.0
   60    65    66    72   0.56750  1.0 1.0
   60    65    66    72  -0.07550 -1.0 2.0
   60    65    66    72   0.20000  1.0 3.0
   60    65   -66    75   0.02550  1.0 1.0
   60    65   -66    75  -0.02600 -1.0 2.0
   60    65   -66    75   1.20400  1.0 3.0
   60    65   -75    66   0.06250  1.0 1.0
   60    65   -75    66  -0.01100 -1.0 2.0
   60    65   -75    66   0.28050  1.0 3.0
   60    65    68    69   0.15000  1.0 3.0
   60    65    68    70   0.15000  1.0 3.0
   60    65    68    71   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    75   0.23400  1.0 3.0
   61    60    65    68   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    75   0.23400  1.0 3.0
   62    60    65    68   0.15000  1.0 3.0
   65    66    72    73   0.15000  1.0 3.0
   65    66    72    74   0.15000  1.0 3.0
   65    66    72    49   0.07850  1.0 1.0
   65    66    72    49  -0.03950 -1.0 2.0
   65    66    72    49   0.67350  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   66    72    49    39   0.34400  1.0 1.0
   66    72    49    39   0.09450 -1.0 2.0
   66    72    49    39   0.11100  1.0 3.0
   66    72    49    44   0.47050  1.0 1.0
   66    72    49    44   0.03900 -1.0 2.0
   66    72    49    44   0.20100  1.0 3.0
   66    72    49    50   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    49   0.15000  1.0 3.0
   67    66   -75    65   0.36800  1.0 3.0
   72    66   -75    65   0.06250  1.0 1.0
   72    66   -75    65  -0.01100 -1.0 2.0
   72    66   -75    65   0.28050  1.0 3.0
   73    72    49    39   0.15000  1.0 3.0
   73    72    49    44   0.15000  1.0 3.0
   73    72    49    50   0.15000  1.0 3.0
   74    72    49    39   0.15000  1.0 3.0
   74    72    49    44   0.15000  1.0 3.0
   74    72    49    50   0.15000  1.0 3.0
   49    39   -40    41   7.00000 -1.0 2.0
   49    39    40    42   7.00000 -1.0 2.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   75    65   -66    67   0.23400  1.0 3.0
   75    65   -66    72   0.02550  1.0 1.0
   75    65   -66    72  -0.02600 -1.0 2.0
   75    65   -66    72   1.20400  1.0 3.0
   75    65    68    69   0.23400  1.0 3.0
   75    65    68    70   0.23400  1.0 3.0
   75    65    68    71   0.23400  1.0 3.0
   75    66    72    73   0.23400  1.0 3.0
   75    66    72    74   0.23400  1.0 3.0
   75    66    72    49   0.02550  1.0 1.0
   75    66    72    49  -0.02600 -1.0 2.0
   75    66    72    49   1.20400  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65   -66    75   0.02550  1.0 1.0
   68    65   -66    75  -0.02600 -1.0 2.0
   68    65   -66    75   1.20400  1.0 3.0
   68    65   -75    66   0.06250  1.0 1.0
   68    65   -75    66  -0.01100 -1.0 2.0
   68    65   -75    66   0.28050  1.0 3.0
   63    58    60    61   0.23400  1.0 3.0
   63    58    60    62   0.23400  1.0 3.0
   63    58    60    65   0.86500  1.0 1.0
   63    58    60    65  -0.17500 -1.0 2.0
   63    58    60    65   0.20800  1.0 3.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    49    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   46    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
END
