* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    217     404
    1     0 S   NP   _N1_     1    30.85179   102.08861   -22.10358
    2     1 S   H    _HN1     2     1.03192    57.64273   142.51303
    3     1 S   H    _H1_     3     1.03388   162.07229   170.88656
    4     1 S   H    _H2_     4     1.02740    73.17532   -92.07917
    5     1 S   CT   _CA1     5     1.49748    82.92811    22.93432
    6     5 S   HC   _HA1     6     1.09409   105.04473   100.15951
    7     5 S   CO3  _C1_     7     1.53745   112.99242   -19.90332
    8     7 S   O2Z  _O11     8     1.26459   115.13319   -38.08684
    9     7 S   O2Z  _O12     9     1.26307   115.14132   141.63955
   10     5 S   CT   _CB1    10     1.53096   108.04409  -141.74057
   11    10 S   HC   HB11    11     1.09555   109.93929   -40.64348
   12    10 S   HC   HB12    12     1.09785   110.82879    76.02903
   13    10 S   CT   _CG1    13     1.52957   111.78504  -161.89084
   14    13 S   HC   HG11    14     1.09551   110.80018   -67.45739
   15    13 S   HC   HG12    15     1.09674   110.65760    51.36154
   16    13 S   C    _CD1    16     1.51413   111.68250   171.96640
   17    16 S   O    _OE1    17     1.22843   121.67515   107.94080
   18    16 S   N    _N2_    18     1.38425   112.95850   -72.76344
   19    18 S   H    _HN2    19     1.01663   119.14200     4.70403
   20    18 S   CT1  _CA2    20     1.46138   123.49462  -177.31737
   21    20 S   HC   _HA2    21     1.09761   109.19293    -2.93345
   22    20 S   C    _C2_    22     1.53460   109.53232  -118.40311
   23    22 S   O    _O2_    23     1.23087   121.95507  -150.54609
   24    20 S   CT   _CB2    32     1.53486   111.07253   118.52736
   25    24 S   HC   HB21    33     1.09590   109.96968    53.92923
   26    24 S   HC   HB22    34     1.09436   110.42434   173.29454
   27    22 S   N    _N3_    24     1.38417   113.67613    37.75420
   28    27 S   H    _HN3    25     1.01455   119.09607    -3.58168
   29    24 S   S    _SG2    35     1.82925   111.06600   -66.98965
   30    27 S   CT   _CA3    26     1.45413   123.30395   175.00903
   31    30 S   HC   HA31    27     1.09538   108.97486    29.44408
   32    30 S   HC   HA32    28     1.09493   107.20704   146.37930
   33    29 S   CT   _C18    36     1.84144   100.05078   167.96840
   34    33 S   HC   _H5_    37     1.09527   109.17021   -41.62644
   35    30 S   CO3  _C3_    29     1.52952   113.22966   -93.85126
   36    35 S   O2Z  _O31    30     1.26430   115.55243   -44.69399
   37    35 S   O2Z  _O32    31     1.26406   115.05311   136.18163
   38    33 S   CM   _C17    38     1.50158   108.42069    76.36091
   39    38 S   HC   _H16    39     1.09079   115.08212   -69.52011
   40    38 S   CMA  _C16    40     1.34829   127.66132   110.98741
   41    40 S   OM   _O34    41     1.26239   129.15559  -179.47214
   42    40 S   CO4  _C15    42     1.51638   115.19572     0.32264
   43    42 S   O    _O33    43     1.23119   122.76849  -172.28708
   44    42 S   CM   _C14    44     1.48339   119.00784     9.17363
   45    44 S   HC   _H15    45     1.08515   116.25541   170.48368
   46    33 S   CM   _C13    46     1.50890   108.85265  -160.19364
   47    46 S   CT   _C12    47     1.51859   118.21404    70.58835
   48    47 S   HC   _H13    48     1.09863   109.73379  -158.10838
   49    47 S   HC   _H14    49     1.09670   109.12022   -44.34217
   50    47 S   CT1  _C11    50     1.53453   112.90962    78.30369
   51    50 S   HC   _H4_    51     1.09613   111.55828   -42.69058
   52    50 S   CO3  _C19    52     1.54258   110.92571    78.39467
   53    52 S   O2Z  _O36    53     1.26493   116.03757    59.34006
   54    52 S   O2Z  _O35    54     1.26498   114.73480  -121.06534
   55    50 S   NE   _N5_    55     1.45750   109.69829  -164.79940
   56    55 S   H    _H12    56     1.01773   116.53890   -85.33000
   57    55 S   CM   _C10    57     1.37440   127.44641    88.20235
   58    57 S   HC   _H11    58     1.08503   109.77927  -176.81119
   59    57 S   CM   _C9_    59     1.34124   129.17296     2.98177
   60    59 S   HC   _H10    60     1.08842   117.88075    -0.44499
   61    59 S   CM   _C8_    61     1.45792   126.94654   180.00000
   62    61 S   CM   _C7_    62     1.34790   119.45694   177.21301
   63    62 S   HC   _H9_    63     1.08591   120.60120     0.34435
   64    62 S   CM   _C6_    64     1.44354   121.80686  -177.34097
   65    64 S   NE   _N4_    65     1.37339   118.39743    -6.86773
   66    65 S   H    _H8_    66     1.01598   115.95601  -179.95154
   67    64 S   CMA  _C20    75     1.52670   120.57237   168.13867
   68    67 S   OM   _O38    76     1.26379   122.05787    28.49309
   69    67 S   OM   _O37    77     1.26577   120.18601  -151.82724
   70    65 S   CT1  _C5_    67     1.44668   124.51872   -10.83671
   71    70 S   HC   _H3_    68     1.09767   107.92589   -89.68358
   72    61 S   CT   _C4_    69     1.51947   120.00416    -1.61070
   73    72 S   HC   _H6_    70     1.09772   109.90817   -41.88770
   74    72 S   HC   _H7_    71     1.09840   108.05764    73.93941
   75    70 S   CO3  _C21    72     1.53872   110.88027   152.62412
   76    75 S   O2Z  _O40    73     1.26653   114.63524   179.61743
   77    75 S   O2Z  _O39    74     1.26555   116.75108     0.39317
  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   8   5   4   3
  13   6   2   1   1   8   4   6   3   5   3   6   2   7  10   5
   4   9   6   5   2   1   6   3   6   3   9   3  11  11   4   9
  12   5   3   1   1   7   6   5   2   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    48    49    50  
   38    39    40    44    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    50  
   46    47  
   47    48    49    50    51    52    55  
   48    49    50    51    52    53    54    55    56    57  
   49    50    51    52    55  
   50    51    52    55  
   51    52    53    54    55    56    57    58    59  
   52    53    54    55    56    57  
   53    54    55    56    57  
   54    55  
   55  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62    72  
   59    60    61  
   60    61    62    63    64    70    72    73    74  
   61    62    72  
   62    63    64    65    70    71    72    73    74    75    67  
   63    64    65    66    70    72    73    74    67    68    69  
   64    65    72    67  
   65    66    70    71    72    75    67    68    69  
   66    70    71    72    73    74    75    76    77    67    68    69  
   70    71    72    75    67  
   68    69    70  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75  
   75  
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   65   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   69   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   317.000  1.510
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.476
   42    43   570.000  1.229
   42    44   320.000  1.462
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    55   382.000  1.448
   52    53   656.000  1.250
   52    54   656.000  1.250
   55    56   434.000  1.010
   55    57   425.000  1.378
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   549.000  1.340
   61    72   317.000  1.510
   62    63   340.000  1.080
   62    64   380.000  1.444
   64    65   425.000  1.378
   64    67   465.000  1.376
   65    66   434.000  1.010
   65    70   382.000  1.448
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   75    76   656.000  1.250
   75    77   656.000  1.250
   67    68   745.000  1.250
   67    69   745.000  1.250
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  112.20000
   29    33    46    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  124.00000
   33    46    47    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  114.61000
   40    38    39    40.00000  120.50800
   40    42    43    80.00000  120.81000
   40    42    44    65.00000  118.65900
   42    40    41    85.00000  116.28000
   42    44    45    40.00000  117.72500
   42    44    46    65.00000  118.96000
   44    42    43    80.00000  123.72100
   44    46    47    70.00000  124.00000
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  110.12100
   46    44    45    35.00000  120.00000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    70.00000  112.02700
   47    50    51    37.50000  110.70000
   47    50    52    63.00000  111.10000
   47    50    55    80.00000  111.61500
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    70.00000  117.00000
   50    52    54    70.00000  117.00000
   50    55    56    35.00000  112.50000
   50    55    57    50.00000  121.00000
   52    50    51    35.00000  109.50000
   54    52    53    80.00000  126.00000
   55    50    51    35.00000  109.50000
   55    50    52    63.00000  110.10000
   55    57    58    50.00000  112.30800
   55    57    59    70.00000  124.03900
   57    55    56    35.00000  114.50000
   57    59    60    35.00000  120.00000
   57    59    61    70.00000  123.01800
   59    57    58    35.00000  120.00000
   59    61    62    70.00000  123.01800
   59    61    72    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    70.00000  123.01800
   61    72    70    70.00000  112.02700
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   62    64    65    70.00000  124.03900
   62    64    67    70.00000  117.34000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  114.50000
   64    65    70    50.00000  121.00000
   64    67    68    65.00000  137.10300
   64    67    69    65.00000  137.10300
   65    70    71    35.00000  109.50000
   65    70    72    80.00000  111.61500
   65    70    75    63.00000  110.10000
   70    65    66    35.00000  112.50000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    75    76    70.00000  117.00000
   70    75    77    70.00000  117.00000
   72    61    62    70.00000  124.00000
   72    70    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    63.00000  111.10000
   77    75    76    80.00000  126.00000
   67    64    65    70.00000  124.03900
   69    67    68    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.42700  1.0 1.0
   29    33    46    44  -0.70350 -1.0 2.0
   29    33    46    44  -0.43150  1.0 3.0
   29    33    46    47   0.30250  1.0 1.0
   29    33    46    47  -0.14950 -1.0 2.0
   29    33    46    47   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    48   0.34800  1.0 3.0
   33    46    47    49   0.34800  1.0 3.0
   33    46    47    50   0.46850  1.0 1.0
   33    46    47    50   0.08550 -1.0 2.0
   33    46    47    50   0.09800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.00000  1.0 1.0
   34    33    46    47   0.34800  1.0 3.0
   38    33    46    44  -0.28300  1.0 1.0
   38    33    46    44   0.26700 -1.0 2.0
   38    33    46    44  -0.63300  1.0 3.0
   38    33    46    47   0.09700  1.0 1.0
   38    33    46    47   0.15600 -1.0 2.0
   38    33    46    47  -0.50800  1.0 3.0
   38    40    42    43   1.00000 -1.0 2.0
   38    40   -42    44  -1.18350  1.0 1.0
   38    40   -42    44   1.45950 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.93700 -1.0 2.0
   40    42    44    46  -1.18350  1.0 1.0
   40    42    44    46   1.45950 -1.0 2.0
   41    40    42    43  -0.11900  1.0 1.0
   41    40    42    43   0.76850 -1.0 2.0
   41    40    42    43   0.14100  1.0 3.0
   41    40    42    44   1.50000 -1.0 2.0
   42    44   -46    33   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   1.00000 -1.0 2.0
   44    46    47    48   0.00000  1.0 1.0
   44    46    47    49   0.00000  1.0 1.0
   44    46    47    50   0.09850  1.0 1.0
   44    46    47    50   0.15250 -1.0 2.0
   44    46    47    50  -0.50650  1.0 3.0
   45    44    46    33   7.00000 -1.0 2.0
   45    44    46    47   7.00000 -1.0 2.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.28300  1.0 1.0
   46    33   -38    40   0.26700 -1.0 2.0
   46    33   -38    40  -0.63300  1.0 3.0
   46    47    50    51   0.15000  1.0 3.0
   46    47    50    52  -0.98800  1.0 1.0
   46    47    50    52   0.48800 -1.0 2.0
   46    47    50    52   0.76800  1.0 3.0
   46    47    50    55   0.21700  1.0 1.0
   46    47    50    55   0.68550 -1.0 2.0
   46    47    50    55  -0.27950  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    55    56   0.00000  1.0 1.0
   47    50    55    57   0.25450  1.0 1.0
   47    50    55    57  -0.61700 -1.0 2.0
   47    50    55    57  -0.23550  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52  -0.03800  1.0 3.0
   48    47    50    55   0.22950  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52  -0.03800  1.0 3.0
   49    47    50    55   0.22950  1.0 3.0
   50    55    57    58   0.00000  1.0 1.0
   50    55    57    59  -0.54700  1.0 1.0
   50    55    57    59   1.23000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   52    50    55    56   0.00000  1.0 1.0
   52    50    55    57  -0.12500  1.0 1.0
   52    50    55    57  -0.12500 -1.0 2.0
   52    50    55    57   0.25000  1.0 3.0
   55    50    52    53   0.00000  1.0 1.0
   55    50    52    54   0.00000  1.0 1.0
   55    57    59    60   7.00000 -1.0 2.0
   55    57    59    61   7.00000 -1.0 2.0
   56    55    57    58   1.00000 -1.0 2.0
   56    55    57    59   1.00000 -1.0 2.0
   57    59    61    62   0.28850  1.0 1.0
   57    59    61    62   2.61350 -1.0 2.0
   57    59    61    62   0.78400  1.0 3.0
   57    59    61    72  -0.18600  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61    62    63   7.00000 -1.0 2.0
   59    61    62    64   7.00000 -1.0 2.0
   59    61    72    70   0.98200  1.0 1.0
   59    61    72    70  -0.11900 -1.0 2.0
   59    61    72    70   0.24250  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   60    59    61    62  -0.18600  1.0 3.0
   60    59    61    72   0.00000  1.0 1.0
   61    62    64    65  -0.18600  1.0 3.0
   61    62    64    67   0.28850  1.0 1.0
   61    62    64    67   2.61350 -1.0 2.0
   61    62    64    67   0.78400  1.0 3.0
   62    61    72    70   0.09850  1.0 1.0
   62    61    72    70   0.15250 -1.0 2.0
   62    61    72    70  -0.50650  1.0 3.0
   62    61    72    73   0.00000  1.0 1.0
   62    61    72    74   0.00000  1.0 1.0
   62    64    65    66   1.00000 -1.0 2.0
   62    64   -65    70  -0.54700  1.0 1.0
   62    64   -65    70   1.23000 -1.0 2.0
   62    64    67    68   7.00000 -1.0 2.0
   62    64    67    69   7.00000 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67  -0.18600  1.0 3.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.25450  1.0 1.0
   64    65    70    72  -0.61700 -1.0 2.0
   64    65    70    72  -0.23550  1.0 3.0
   64    65    70    75  -0.12500  1.0 1.0
   64    65    70    75  -0.12500 -1.0 2.0
   64    65    70    75   0.25000  1.0 3.0
   65    64    67    68   7.00000 -1.0 2.0
   65    64    67    69   7.00000 -1.0 2.0
   65    70   -72    61   0.21700  1.0 1.0
   65    70   -72    61   0.68550 -1.0 2.0
   65    70   -72    61  -0.27950  1.0 3.0
   65    70    72    73   0.22950  1.0 3.0
   65    70    72    74   0.22950  1.0 3.0
   65    70    75    76   0.00000  1.0 1.0
   65    70    75    77   0.00000  1.0 1.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   66    65    70    75   0.00000  1.0 1.0
   71    70    72    61   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    77   0.00000  1.0 1.0
   72    61    62    63   7.00000 -1.0 2.0
   72    61   -62    64   7.00000 -1.0 2.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
   75    70    72    61  -0.98800  1.0 1.0
   75    70    72    61   0.48800 -1.0 2.0
   75    70    72    61   0.76800  1.0 3.0
   75    70    72    73  -0.03800  1.0 3.0
   75    70    72    74  -0.03800  1.0 3.0
   67    64    65    66   1.00000 -1.0 2.0
   67    64    65    70  -0.54700  1.0 1.0
   67    64    65    70   1.23000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    44    42    43  10.50000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   33    47    46    44   1.10000 -1.0 2.0
   53    50    52    54  10.50000 -1.0 2.0
   56    57    55    50   1.00000 -1.0 2.0
   55    58    57    59  15.00000 -1.0 2.0
   61    60    59    57  15.00000 -1.0 2.0
   59    72    61    62   1.10000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   62    65    64    67   1.10000 -1.0 2.0
   66    64    65    70   1.00000 -1.0 2.0
   76    70    75    77  10.50000 -1.0 2.0
   68    69    67    64   1.10000 -1.0 2.0
END
