* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    223     419
    1     0 S   NP   _N1_     1    28.80282    95.38240   -24.90063
    2     1 S   H    _HN1     2     1.02785   113.46549   -88.57960
    3     1 S   H    _H1_     3     1.02950    76.31527    15.76326
    4     1 S   H    _H2_     4     1.02829    31.25754  -174.57494
    5     1 S   CT   _CA1     5     1.50111   128.35951   121.12393
    6     5 S   HC   _HA1     6     1.09573   105.20047    89.23841
    7     5 S   CO3  _C1_     7     1.53787   112.44615   -31.00597
    8     7 S   O2Z  _O11     8     1.26372   115.00571   -42.92747
    9     7 S   O2Z  _O12     9     1.26238   114.94105   136.20013
   10     5 S   CT   _CB1    10     1.53077   107.42139  -152.78128
   11    10 S   HC   HB11    11     1.09833   109.37636   -49.76717
   12    10 S   HC   HB12    12     1.09813   110.44616    66.83836
   13    10 S   CT   _CG1    13     1.52991   112.60601  -170.74768
   14    13 S   HC   HG11    14     1.09583   110.62398   -65.43296
   15    13 S   HC   HG12    15     1.09669   109.79992    53.80342
   16    13 S   C    _CD1    16     1.51798   112.22093   174.25635
   17    16 S   O    _OE1    17     1.22732   123.28561     6.50900
   18    16 S   N    _N2_    18     1.38654   111.67401  -173.60999
   19    18 S   H    _HN2    19     1.01583   118.94572     1.71395
   20    18 S   CT1  _CA2    20     1.46192   123.36792   177.65482
   21    20 S   HC   _HA2    21     1.09736   109.36149     1.92570
   22    20 S   C    _C2_    22     1.53533   108.63668  -113.56517
   23    22 S   O    _O2_    23     1.23058   122.26953  -148.12042
   24    20 S   CT   _CB2    32     1.53320   111.58165   123.92427
   25    24 S   HC   HB21    33     1.09504   110.02557    56.76512
   26    24 S   HC   HB22    34     1.09522   110.14111   175.72529
   27    22 S   N    _N3_    24     1.38325   113.70067    39.33206
   28    27 S   H    _HN3    25     1.01589   119.58075    -3.35999
   29    24 S   S    _SG2    35     1.82774   111.47809   -64.65368
   30    27 S   CT   _CA3    26     1.45287   123.21106   177.10423
   31    30 S   HC   HA31    27     1.09549   107.51335   -64.47184
   32    30 S   HC   HA32    28     1.09557   107.98020    51.96412
   33    29 S   CT   _C15    36     1.83547    99.55153  -179.81548
   34    33 S   HC   _H7_    37     1.09556   106.82037    42.78948
   35    30 S   CO3  _C3_    29     1.52959   114.08264   173.95892
   36    35 S   O2Z  _O31    30     1.26375   116.06704    -0.66764
   37    35 S   O2Z  _O32    31     1.26428   114.41268   179.39251
   38    33 S   CT   _C16    38     1.52801   111.35142   -77.05487
   39    38 S   HC   _H15    39     1.09530   110.58927   152.85048
   40    38 S   HC   _H16    40     1.09218   114.73655    28.35553
   41    38 S   CO4  _C17    41     1.50532   103.03581   -92.33224
   42    41 S   O    _O36    42     1.22645   122.76142   163.44356
   43    41 S   CT   _C13    43     1.52975   112.95455   -17.96517
   44    43 S   CT   _C12    44     1.54926   108.79879  -122.49502
   45    44 S   HC   _H5_    45     1.09613   108.51185   -60.31831
   46    33 S   CT   _C14    58     1.55562   115.63634   164.94672
   47    46 S   HC   _H6_    59     1.10115   103.43394  -162.08156
   48    43 S   CT   _C18    70     1.53623   106.85628   117.48352
   49    48 S   HC   _H17    71     1.09076   113.06827  -176.51249
   50    48 S   HC   _H18    72     1.09723   110.43350    63.94683
   51    48 S   HC   _H19    73     1.09279   112.44095   -54.28091
   52    44 S   CM   _C8_    46     1.49923   114.43632   175.26898
   53    44 S   OH   _O37    68     1.43374   109.80092    54.76141
   54    53 S   HO   _H20    69     0.97401   106.95316  -173.69314
   55    52 S   CM   _C9_    47     1.33914   126.33991   130.76919
   56    55 S   CO4  _C10    48     1.47345   106.39925   176.03904
   57    56 S   O    _O33    49     1.21902   126.13927   177.42147
   58    55 S   CT   _C11    64     1.50441   130.78115    -4.74656
   59    58 S   OM   _O35    65     1.32297   106.54220    91.16524
   60    58 S   HC   _H13    66     1.10156   106.23374   -36.25576
   61    58 S   HC   _H14    67     1.10203   105.72246  -141.66130
   62    56 S   OS   _O34    50     1.36264   108.82132    -3.29533
   63    52 S   CT   _C7_    51     1.48855   122.24636   -53.01569
   64    63 S   HC   _H4_    52     1.09472   112.26396   -57.39949
   65    63 S   CT   _C6_    53     1.53081   114.53861    71.62575
   66    65 S   HC   _H11    54     1.09819   108.74507    46.01095
   67    65 S   HC   _H12    55     1.09924   108.53806   157.13420
   68    65 S   CT   _C5_    56     1.54610   117.44357   -78.07439
   69    68 S   HC   _H3_    57     1.09655   105.93809   149.33868
   70    68 S   CT   _C4_    60     1.53930   108.70829   -96.58519
   71    70 S   HC   _H8_    61     1.09530   111.11628    65.05560
   72    70 S   HC   _H9_    62     1.09563   110.83134   -54.95316
   73    70 S   HC   _H10    63     1.09369   111.80453  -173.99870
  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  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  17  18   7  17   5   6
   2   1   1  16   3   1  10   9   3   5   2   1   1   6   7   4
   8   4   3   5   4   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    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    41    43    68    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    65    68    69    46    47    70    48  
   38    39    40    41    43    68    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    68    46    47    48  
   40    41    42    43    46  
   41    42    43    46  
   42    43    44    45    52    68    46    47    53    48    49    50    51  
   43    44    46    48  
   44    45    52    55    63    65    68    69    46    47    70    53    54    48    49    50    51  
   45    52    55    56    62    63    64    65    68    46    47    58    53    54    48    49    50    51  
   52    55    63    46    53    54    48  
   47    70    71    72    73    53    48    49    50    51    52    63    65    66    67    68    69  
   70    48    65    68    69  
   49    50    51    52    53    68  
   50    51  
   51  
    0  
   55    56    57    62    63    64    65    66    67    68    58    59    60    61    53    54  
   54    55    63  
    0  
   56    57    62    63    64    65    58    59    60    61  
   57    62    63    64    65    58    59    60    61  
   62    63    58  
   59    60    61    62    63  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68    69    70    71    72    73  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   317.000  1.510
   44    53   320.000  1.410
   52    55   549.000  1.340
   52    63   317.000  1.510
   55    56   320.000  1.462
   55    58   317.000  1.510
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    63   320.000  1.410
   63    64   340.000  1.090
   63    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    46   268.000  1.529
   68    70   268.000  1.529
   46    47   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   570.000  1.307
   58    60   340.000  1.090
   58    61   340.000  1.090
   53    54   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    46    43    58.35000  112.70000
   33    46    68    58.35000  112.70000
   33    46    47    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    70.00000  112.02700
   43    44    53    50.00000  109.50000
   43    46    68    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    52    55    70.00000  124.00000
   44    52    63    65.00000  117.92700
   44    53    54    55.00000  108.50000
   52    44    45    35.00000  109.50000
   52    55    56    65.00000  118.96000
   52    55    58    70.00000  124.00000
   52    63    62    85.00000  110.90400
   52    63    64    35.00000  109.50000
   52    63    65    70.00000  112.02700
   55    56    57    80.00000  123.72100
   55    56    62    90.00000  111.29400
   55    58    59    85.00000  110.90400
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    63    64    35.00000  109.50000
   62    63    65    50.00000  109.50000
   63    52    55    70.00000  124.00000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    68    58.35000  112.70000
   65    63    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    46    58.35000  112.70000
   65    68    70    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    46    47    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    37.50000  110.70000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    43    44    58.35000  112.70000
   46    68    69    37.50000  110.70000
   70    68    69    37.50000  110.70000
   70    68    46    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    55    56    65.00000  116.34900
   60    58    59    45.00000  125.66300
   61    58    59    45.00000  125.66300
   61    58    60    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    52    90.00000  110.39200
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    68   0.44750  1.0 1.0
   29    33    46    68  -0.17800 -1.0 2.0
   29    33    46    68   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    68   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   38    33   -46    43   0.56750  1.0 1.0
   38    33   -46    43  -0.07550 -1.0 2.0
   38    33   -46    43   0.20000  1.0 3.0
   38    33    46    68   0.56750  1.0 1.0
   38    33    46    68  -0.07550 -1.0 2.0
   38    33    46    68   0.20000  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.98800  1.0 1.0
   41    43    44    52   0.48800 -1.0 2.0
   41    43    44    52   0.76800  1.0 3.0
   41    43    44    53  -0.09450  1.0 1.0
   41    43    44    53  -1.12950 -1.0 2.0
   41    43    44    53   0.54000  1.0 3.0
   41    43   -46    33  -0.95700  1.0 1.0
   41    43   -46    33  -0.18200 -1.0 2.0
   41    43   -46    33   0.29450  1.0 3.0
   41    43    46    68  -0.95700  1.0 1.0
   41    43    46    68  -0.18200 -1.0 2.0
   41    43    46    68   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    55   0.09850  1.0 1.0
   43    44    52    55   0.15250 -1.0 2.0
   43    44    52    55  -0.50650  1.0 3.0
   43    44    52    63   0.46850  1.0 1.0
   43    44    52    63   0.08550 -1.0 2.0
   43    44    52    63   0.09800  1.0 3.0
   43    44    53    54  -0.11600  1.0 1.0
   43    44    53    54  -0.09450 -1.0 2.0
   43    44    53    54   0.21250  1.0 3.0
   44    43    46    33   0.56750  1.0 1.0
   44    43    46    33  -0.07550 -1.0 2.0
   44    43    46    33   0.20000  1.0 3.0
   44    43    46    68   0.56750  1.0 1.0
   44    43    46    68  -0.07550 -1.0 2.0
   44    43    46    68   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   7.00000 -1.0 2.0
   44    52    55    58   7.00000 -1.0 2.0
   44    52    63    62   0.09700  1.0 1.0
   44    52    63    62   0.15600 -1.0 2.0
   44    52    63    62  -0.50800  1.0 3.0
   44    52    63    64   0.34800  1.0 3.0
   44    52    63    65   0.46850  1.0 1.0
   44    52    63    65   0.08550 -1.0 2.0
   44    52    63    65   0.09800  1.0 3.0
   45    44    52    55   0.00000  1.0 1.0
   45    44    52    63   0.34800  1.0 3.0
   45    44    53    54   0.19450  1.0 3.0
   52    44    53    54  -0.07800  1.0 1.0
   52    44    53    54  -0.21500 -1.0 2.0
   52    44    53    54  -0.03150  1.0 3.0
   52    55    56    57   1.00000 -1.0 2.0
   52    55   -56    62  -0.56150  1.0 1.0
   52    55   -56    62   2.19150 -1.0 2.0
   52    55    58    59   0.39000  1.0 1.0
   52    55    58    59  -0.05800 -1.0 2.0
   52    55    58    59  -0.55150  1.0 3.0
   52    55    58    60   0.00000  1.0 1.0
   52    55    58    61   0.00000  1.0 1.0
   52    63    65    66   0.15000  1.0 3.0
   52    63    65    67   0.15000  1.0 3.0
   52    63    65    68   0.34400  1.0 1.0
   52    63    65    68   0.09450 -1.0 2.0
   52    63    65    68   0.11100  1.0 3.0
   55    52   -63    62   0.39000  1.0 1.0
   55    52   -63    62  -0.05800 -1.0 2.0
   55    52   -63    62  -0.55150  1.0 3.0
   55    52    63    64   0.00000  1.0 1.0
   55    52    63    65   0.09850  1.0 1.0
   55    52    63    65   0.15250 -1.0 2.0
   55    52    63    65  -0.50650  1.0 3.0
   55    56   -62    63   2.00000 -1.0 2.0
   56    55    58    59   0.09700  1.0 1.0
   56    55    58    59   0.15600 -1.0 2.0
   56    55    58    59  -0.50800  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   56    62   -63    52  -0.82050  1.0 1.0
   56    62   -63    52   0.00600 -1.0 2.0
   56    62   -63    52   0.04400  1.0 3.0
   56    62    63    64   0.08050  1.0 3.0
   56    62    63    65  -0.25900  1.0 1.0
   56    62    63    65  -0.47000 -1.0 2.0
   56    62    63    65   0.11750  1.0 3.0
   57    56    62    63   3.00000 -1.0 2.0
   62    63    65    66   0.23400  1.0 3.0
   62    63    65    67   0.23400  1.0 3.0
   62    63    65    68   0.62750  1.0 1.0
   62    63    65    68  -0.30950 -1.0 2.0
   62    63    65    68   0.27300  1.0 3.0
   63    52   -55    56   7.00000 -1.0 2.0
   63    52    55    58   7.00000 -1.0 2.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    46   0.56750  1.0 1.0
   63    65    68    46  -0.07550 -1.0 2.0
   63    65    68    46   0.20000  1.0 3.0
   63    65    68    70   0.56750  1.0 1.0
   63    65    68    70  -0.07550 -1.0 2.0
   63    65    68    70   0.20000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   65    68    46    33   0.56750  1.0 1.0
   65    68    46    33  -0.07550 -1.0 2.0
   65    68    46    33   0.20000  1.0 3.0
   65    68    46    43   0.56750  1.0 1.0
   65    68    46    43  -0.07550 -1.0 2.0
   65    68    46    43   0.20000  1.0 3.0
   65    68    46    47   0.15000  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    70    72   0.15000  1.0 3.0
   65    68    70    73   0.15000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    46   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    46   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   69    68    46    33   0.15000  1.0 3.0
   69    68    46    43   0.15000  1.0 3.0
   69    68    46    47   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41  -0.95700  1.0 1.0
   46    33   -38    41  -0.18200 -1.0 2.0
   46    33   -38    41   0.29450  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.34400  1.0 1.0
   46    43    44    52   0.09450 -1.0 2.0
   46    43    44    52   0.11100  1.0 3.0
   46    43    44    53   0.86500  1.0 1.0
   46    43    44    53  -0.17500 -1.0 2.0
   46    43    44    53   0.20800  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    68    70    71   0.15000  1.0 3.0
   46    68    70    72   0.15000  1.0 3.0
   46    68    70    73   0.15000  1.0 3.0
   70    68    46    33   0.56750  1.0 1.0
   70    68    46    33  -0.07550 -1.0 2.0
   70    68    46    33   0.20000  1.0 3.0
   70    68    46    43   0.56750  1.0 1.0
   70    68    46    43  -0.07550 -1.0 2.0
   70    68    46    43   0.20000  1.0 3.0
   70    68    46    47   0.15000  1.0 3.0
   58    55    56    57  -0.64400  1.0 1.0
   58    55    56    57   0.26850 -1.0 2.0
   58    55    56    62  -0.15000  1.0 1.0
   58    55    56    62   0.89550 -1.0 2.0
   58    55    56    62  -0.06900  1.0 3.0
   53    44    52    55   0.67800  1.0 1.0
   53    44    52    55   0.47050 -1.0 2.0
   53    44    52    55  -0.62500  1.0 3.0
   53    44    52    63   0.18000  1.0 1.0
   53    44    52    63   0.16450 -1.0 2.0
   53    44    52    63   0.04450  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.34400  1.0 1.0
   48    43    44    52   0.09450 -1.0 2.0
   48    43    44    52   0.11100  1.0 3.0
   48    43    44    53   0.86500  1.0 1.0
   48    43    44    53  -0.17500 -1.0 2.0
   48    43    44    53   0.20800  1.0 3.0
   48    43    46    33   0.56750  1.0 1.0
   48    43    46    33  -0.07550 -1.0 2.0
   48    43    46    33   0.20000  1.0 3.0
   48    43    46    68   0.56750  1.0 1.0
   48    43    46    68  -0.07550 -1.0 2.0
   48    43    46    68   0.20000  1.0 3.0
   48    43    46    47   0.15000  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
   38    43    41    42  10.50000 -1.0 2.0
   44    63    52    55   1.10000 -1.0 2.0
   56    58    55    52   1.10000 -1.0 2.0
   55    62    56    57  10.50000 -1.0 2.0
END
