* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    140    225     409
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02051    99.83817    20.90730
    3     1 S   H    _H1_     3     1.02078    37.21146   128.87869
    4     1 S   H    _H2_     4     1.02091    78.15530   -86.36289
    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     1.82356    98.14921   161.77363
   34    33 S   HC   _H3_    37     1.09642   107.41138    43.27586
   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  _C21    38     1.51178   107.74727   160.04026
   39    38 S   O    _O37    39     1.22864   121.43739   -86.92755
   40    38 S   CM   _C19    40     1.48326   118.18049    89.97294
   41    40 S   CM   _C18    41     1.39891   121.00409     8.05956
   42    41 S   CM   _C17    42     1.39888   119.97681  -177.50158
   43    42 S   HC   _H11    43     1.08725   120.69008  -179.85598
   44    41 S   CO4  _C24    73     1.47970   120.77875     3.66629
   45    44 S   O    _O38    74     1.22618   120.89562  -171.64523
   46    42 S   CM   _C16    44     1.39540   119.99113    -0.57267
   47    33 S   CT   _C23    75     1.52007   112.08279   -75.86207
   48    47 S   HC   _H12    76     1.09704   109.88962   167.69946
   49    47 S   HC   _H13    77     1.09681   110.79483    49.40645
   50    46 S   CM   _C15    45     1.39322   120.09521     0.06256
   51    46 S   CT   _C25    69     1.49663   117.96330  -179.93147
   52    51 S   HC   _H14    70     1.09482   110.11876    90.05102
   53    51 S   HC   _H15    71     1.09586   111.02685  -149.42539
   54    51 S   HC   _H16    72     1.09577   111.05037   -30.46570
   55    40 S   CO4  _C20    46     1.39965   119.22016  -170.19621
   56    55 S   O    _O36    47     1.28856   122.30952    -1.57346
   57    50 S   CM   _C13    48     1.47454   117.45869   179.96044
   58    57 S   CM   _C12    49     1.34058   119.06707    90.01305
   59    58 S   HC   _H10    50     1.08973   121.41686     0.85088
   60    58 S   CMA  _C11    51     1.47807   122.69395  -179.25770
   61    60 S   OM   _O34    52     1.22524   120.55432  -179.38261
   62    60 S   CA   _C8_    53     1.47229   117.70885     0.73489
   63    62 S   CA   _C7_    54     1.39538   120.39504    -0.56993
   64    63 S   CA   _C6_    55     1.40053   119.79094   179.89165
   65    64 S   HA   _H7_    56     1.08749   120.78773  -179.96044
   66    57 S   CO4  _C14    67     1.49083   120.48235   -89.18255
   67    66 S   O    _O35    68     1.22604   121.40591    -2.06412
   68    64 S   CA   _C5_    57     1.39555   120.00972     0.03956
   69    68 S   CA   _C10    58     1.39350   120.10341    -0.04423
   70    69 S   HA   _H8_    59     1.08732   119.91927  -179.94766
   71    68 S   CT   _C4_    63     1.49164   119.91412  -179.90721
   72    71 S   HC   _H4_    64     1.09673   110.40379    89.98512
   73    71 S   HC   _H5_    65     1.09776   111.25650  -149.52108
   74    71 S   HC   _H6_    66     1.09750   111.26469   -30.56851
   75    62 S   CA   _C9_    60     1.39953   119.54887   179.29390
   76    75 S   OH   _O33    61     1.36344   122.74316     0.07913
   77    76 S   HO   _H9_    62     0.97008   110.13984     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
  11   7   2   1   1  11   4  11  12  12   4   6   3  10   2   1
   1  13   5   2   1   1   4   1   9   8   4   8   3  11   9  11
   4   3   1   8   8   3   4   2   1   1   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    44    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    44    45    47    48    49  
   38    39    40    44    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    55    56    44    47    48    49  
   40    41    55    47  
   41    42    43    46    50    55    56    57    44    45    47  
   42    43    46    50    55    56    51    44    45    47    48    49  
   43    46    50    55    57    51    52    53    54    44    45    47  
   46    50    51    44  
   45    47    48    49    46    55  
   47    48    49  
   50    55    56    57    58    66    51    52    53    54  
   48    49  
   49  
    0  
   55    56    57    58    59    60    63    66    67    51    52    53    54  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    57    58    66  
   57  
   58    59    60    61    62    63    64    66    67  
   59    60    61    62    63    75    66    67  
   60    61    62    66  
   61    62    63    64    69    75    76    66  
   62    63    75  
   63    64    65    68    69    70    75    76    77    66    67  
   64    65    68    69    75    76    71    66    67  
   65    68    69    70    75    71    72    73    74    66    67  
   68    69    71    66  
   67    68    75  
    0  
   69    70    75    76    71    72    73    74  
   70    75    76    77    71    72    73    74  
   75    76    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77  
   77  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   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    55   320.000  1.462
   41    42   380.000  1.444
   41    44   320.000  1.462
   42    43   340.000  1.080
   42    46   549.000  1.340
   46    50   380.000  1.444
   46    51   317.000  1.510
   50    55   320.000  1.462
   50    57   549.000  1.340
   55    56   570.000  1.229
   57    58   380.000  1.444
   57    66   320.000  1.462
   58    59   340.000  1.080
   58    60   465.000  1.376
   60    61   745.000  1.250
   60    62   320.000  1.460
   62    63   469.000  1.400
   62    75   469.000  1.400
   63    64   469.000  1.400
   63    66   310.000  1.470
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    71   317.000  1.510
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   66    67   570.000  1.229
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
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    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    55    65.00000  115.30000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    44    65.00000  118.96000
   40    55    50    65.00000  118.65900
   40    55    56    80.00000  123.72100
   41    42    43    35.00000  120.00000
   41    42    46    70.00000  123.01800
   41    44    45    80.00000  123.72100
   41    44    47    65.00000  118.62400
   42    46    50    70.00000  123.01800
   42    46    51    70.00000  124.00000
   46    42    43    35.00000  120.00000
   46    50    55    65.00000  118.96000
   46    50    57    70.00000  123.01800
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   50    55    56    80.00000  123.72100
   50    57    58    70.00000  123.01800
   50    57    66    65.00000  118.96000
   55    40    41    65.00000  118.96000
   57    50    55    65.00000  118.96000
   57    58    59    35.00000  120.00000
   57    58    60    70.00000  117.34000
   57    66    63    65.00000  117.02400
   57    66    67    80.00000  123.72100
   58    60    61    65.00000  137.10300
   58    60    62    60.00000  123.20500
   60    58    59    40.00000  120.50800
   60    62    63    60.00000  120.93500
   60    62    75    60.00000  120.93500
   62    60    61    85.00000  114.86500
   62    63    64    63.00000  120.00000
   62    63    66    60.00000  119.52600
   62    75    69    63.00000  120.00000
   62    75    76    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    68    63.00000  120.00000
   63    66    67    75.00000  123.78400
   64    68    69    63.00000  120.00000
   64    68    71    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    75    63.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    70.00000  120.00000
   75    62    63    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    76    77    35.00000  113.00000
   71    68    69    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   66    57    58    65.00000  118.96000
   66    63    64    60.00000  119.52600
   51    46    50    70.00000  124.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    41    42    65.00000  118.96000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    44    45    80.00000  120.40000
   49    47    48    33.00000  107.80000
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    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.15000  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    55   1.50000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    44   0.11950  1.0 1.0
   38    33    47    44   0.20300 -1.0 2.0
   38    33    47    44  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    49  -0.11250  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    44   7.00000 -1.0 2.0
   38    40    55    50   1.50000 -1.0 2.0
   38    40    55    56   2.50000 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    55   2.50000 -1.0 2.0
   40    41    42    43  -0.18600  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    44    45   1.00000 -1.0 2.0
   40    41    44    47  -0.33500  1.0 1.0
   40    41    44    47   1.06600 -1.0 2.0
   40    41    44    47  -0.14000  1.0 3.0
   41    40    55    50  -1.18350  1.0 1.0
   41    40    55    50   1.45950 -1.0 2.0
   41    40    55    56   1.00000 -1.0 2.0
   41    42   -46    50   7.00000 -1.0 2.0
   41    42    46    51   7.00000 -1.0 2.0
   41    44   -47    33   0.65300  1.0 1.0
   41    44   -47    33  -0.03850 -1.0 2.0
   41    44   -47    33   0.33900  1.0 3.0
   41    44    47    48   0.00000  1.0 1.0
   41    44    47    49   0.00000  1.0 1.0
   42    41    44    45   1.00000 -1.0 2.0
   42    41    44    47  -0.33500  1.0 1.0
   42    41    44    47   1.06600 -1.0 2.0
   42    41    44    47  -0.14000  1.0 3.0
   42    46    50    55  -0.18600  1.0 3.0
   42    46    50    57   0.28850  1.0 1.0
   42    46    50    57   2.61350 -1.0 2.0
   42    46    50    57   0.78400  1.0 3.0
   42    46    51    52   0.00000  1.0 1.0
   42    46    51    53   0.00000  1.0 1.0
   42    46    51    54   0.00000  1.0 1.0
   43    42    46    50   7.00000 -1.0 2.0
   43    42    46    51   7.00000 -1.0 2.0
   46    50   -55    40  -1.18350  1.0 1.0
   46    50   -55    40   1.45950 -1.0 2.0
   46    50    55    56   1.00000 -1.0 2.0
   46    50    57    58   7.00000 -1.0 2.0
   46    50    57    66   7.00000 -1.0 2.0
   50    46    51    52   0.00000  1.0 1.0
   50    46    51    53   0.00000  1.0 1.0
   50    46    51    54   0.00000  1.0 1.0
   50    57    58    59  -0.18600  1.0 3.0
   50    57    58    60   0.28850  1.0 1.0
   50    57    58    60   2.61350 -1.0 2.0
   50    57    58    60   0.78400  1.0 3.0
   50    57    66    63  -1.65800  1.0 1.0
   50    57    66    63   0.77650 -1.0 2.0
   50    57    66    67   1.00000 -1.0 2.0
   55    40   -41    42   7.00000 -1.0 2.0
   55    40    41    44   7.00000 -1.0 2.0
   55    50    57    58   7.00000 -1.0 2.0
   55    50    57    66   7.00000 -1.0 2.0
   57    50    55    40  -1.18350  1.0 1.0
   57    50    55    40   1.45950 -1.0 2.0
   57    50    55    56   1.00000 -1.0 2.0
   57    58    60    61   7.00000 -1.0 2.0
   57    58    60    62   7.00000 -1.0 2.0
   58    57    66    63  -1.65800  1.0 1.0
   58    57    66    63   0.77650 -1.0 2.0
   58    57    66    67   1.00000 -1.0 2.0
   58    60   -62    63   0.15800  1.0 1.0
   58    60   -62    63   1.85350 -1.0 2.0
   58    60   -62    63  -0.48700  1.0 3.0
   58    60    62    75   0.15800  1.0 1.0
   58    60    62    75   1.85350 -1.0 2.0
   58    60    62    75  -0.48700  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    66   3.62500 -1.0 2.0
   60    62    75    69   3.62500 -1.0 2.0
   60    62    75    76   3.62500 -1.0 2.0
   61    60    62    63  -0.01750  1.0 1.0
   61    60    62    63  -0.32000 -1.0 2.0
   61    60    62    63   0.00600  1.0 3.0
   61    60    62    75  -0.01750  1.0 1.0
   61    60    62    75  -0.32000 -1.0 2.0
   61    60    62    75   0.00600  1.0 3.0
   62    63    64    65   3.62500 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63   -66    57  -0.11500  1.0 1.0
   62    63   -66    57   1.10450 -1.0 2.0
   62    63   -66    57  -0.48050  1.0 3.0
   62    63    66    67   1.05000 -1.0 2.0
   62    75    76    77   0.84100 -1.0 2.0
   63    62    75    69   3.62500 -1.0 2.0
   63    62    75    76   3.62500 -1.0 2.0
   63    64   -68    69   3.62500 -1.0 2.0
   63    64    68    71   3.62500 -1.0 2.0
   64    63    66    57  -0.11500  1.0 1.0
   64    63    66    57   1.10450 -1.0 2.0
   64    63    66    57  -0.48050  1.0 3.0
   64    63    66    67   1.05000 -1.0 2.0
   64    68    69    70   3.62500 -1.0 2.0
   64    68    69    75   3.62500 -1.0 2.0
   64    68    71    72   0.00000  1.0 1.0
   64    68    71    73   0.00000  1.0 1.0
   64    68    71    74   0.00000  1.0 1.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    71   3.62500 -1.0 2.0
   68    69   -75    62   3.62500 -1.0 2.0
   68    69    75    76   3.62500 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    76    77   0.84100 -1.0 2.0
   70    69    75    62   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   75    62   -63    64   3.62500 -1.0 2.0
   75    62    63    66   3.62500 -1.0 2.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    75   3.62500 -1.0 2.0
   66    57    58    59   0.00000  1.0 1.0
   66    57   -58    60  -0.18600  1.0 3.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    68   3.62500 -1.0 2.0
   51    46    50    55   1.08500 -1.0 2.0
   51    46    50    57  -0.18600  1.0 3.0
   44    41    42    43   0.00000  1.0 1.0
   44    41    42    46  -0.18600  1.0 3.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   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
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    55    40    41   1.10000 -1.0 2.0
   42    44    41    40   1.10000 -1.0 2.0
   41    43    42    46   1.10000 -1.0 2.0
   50    51    46    42   1.10000 -1.0 2.0
   46    55    50    57   1.10000 -1.0 2.0
   40    50    55    56  10.50000 -1.0 2.0
   58    66    57    50   1.10000 -1.0 2.0
   57    59    58    60   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    75    62    60   4.00000 -1.0 2.0
   64    66    63    62   4.00000 -1.0 2.0
   68    65    64    63   1.10000 -1.0 2.0
   69    71    68    64   4.00000 -1.0 2.0
   75    70    69    68   1.10000 -1.0 2.0
   69    76    75    62   4.00000 -1.0 2.0
   57    63    66    67  10.50000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
END
