* LIGAND DATABASE FILE (OPLS2005)
*
001      72    76    135    229     403
    1     0 S   NP   _N1_     1    28.10618    95.79711   -24.08546
    2     1 S   H    _HN1     2     1.02776   107.99457  -112.69381
    3     1 S   H    _H1_     3     1.02957    83.14983    -5.58325
    4     1 S   H    _H2_     4     1.02835    25.63318   153.29785
    5     1 S   CT   _CA1     5     1.50127   129.76042   105.29992
    6     5 S   HC   _HA1     6     1.09574   105.21973    79.27003
    7     5 S   CO3  _C1_     7     1.53793   112.37979   -40.93266
    8     7 S   O2Z  _O11     8     1.26366   114.99743   -43.53491
    9     7 S   O2Z  _O12     9     1.26237   114.93809   135.59605
   10     5 S   CT   _CB1    10     1.53101   107.42536  -162.80440
   11    10 S   HC   HB11    11     1.09826   109.35030   -50.44515
   12    10 S   HC   HB12    12     1.09816   110.41795    66.12020
   13    10 S   CT   _CG1    13     1.53011   112.65932  -171.51594
   14    13 S   HC   HG11    14     1.09595   110.48148   -64.14179
   15    13 S   HC   HG12    15     1.09656   109.92379    55.05135
   16    13 S   C    _CD1    16     1.51838   112.34582   175.43597
   17    16 S   O    _OE1    17     1.22746   123.29692    -0.08393
   18    16 S   N    _N2_    18     1.38548   111.67132   179.90109
   19    18 S   H    _HN2    19     1.01555   119.02901     4.62071
   20    18 S   CT1  _CA2    20     1.45860   122.95234   178.15241
   21    20 S   HC   _HA2    21     1.09723   108.95002    23.56993
   22    20 S   C    _C2_    22     1.52921   106.92500   -93.52867
   23    22 S   O    _O2_    23     1.22995   123.01116   -27.17665
   24    20 S   CT   _CB2    32     1.53176   112.15850   146.73046
   25    24 S   HC   HB21    33     1.09598   110.16966    54.88094
   26    24 S   HC   HB22    34     1.09465   109.97096   173.86007
   27    22 S   N    _N3_    24     1.38496   112.63827   155.50544
   28    27 S   H    _HN3    25     1.01666   120.36510    -1.89837
   29    24 S   S    _SG2    35     1.82565   111.13905   -65.94288
   30    27 S   CT   _CA3    26     1.45354   122.40319   178.58944
   31    30 S   HC   HA31    27     1.09572   107.68746   -57.62634
   32    30 S   HC   HA32    28     1.09565   107.70345    58.66690
   33    29 S   CT   _C23    36     1.85294    99.71992   169.11353
   34    33 S   HC   _H3_    37     1.09978   104.40389   -57.53941
   35    30 S   CO3  _C3_    29     1.52872   114.41490  -179.54846
   36    35 S   O2Z  _O31    30     1.26319   116.09665    -2.83034
   37    35 S   O2Z  _O32    31     1.26449   114.39430   177.20600
   38    33 S   CT   _C20    38     1.56393   115.32519    60.04064
   39    38 S   OM   _O21    39     1.32681   110.46524    58.03817
   40    38 S   HC   _H33    40     1.09978   103.36354   -71.78554
   41    38 S   CA   _C19    41     1.54443   111.29728   176.48671
   42    41 S   CA   _C15    42     1.43958   120.33639   159.39781
   43    41 S   CA   _C18    62     1.41468   120.17608   -21.16201
   44    42 S   CA   _C10    43     1.41411   123.82731    -1.21981
   45    44 S   HA   _H31    44     1.08782   120.83347     0.14935
   46    43 S   CT   _C21    63     1.51432   123.58736     3.78760
   47    46 S   HC   _H34    64     1.09776   108.47689  -136.36669
   48    42 S   CR3  _C17    71     1.41983   119.47449   178.72697
   49    44 S   CA   _C8_    45     1.39719   122.48181   179.91153
   50    49 S   HA   _H29    46     1.08796   118.64480  -179.90935
   51    33 S   CT   _C22    65     1.54168   109.58648  -171.04299
   52    51 S   HC   _H35    66     1.09732   109.64259    51.23991
   53    46 S   OH   _O22    69     1.43138   106.71452   107.66421
   54    53 S   HO   _H37    70     0.97234   107.40422   172.30532
   55    56 S   CR3  _C16    72     1.41163   118.97618     0.01978
   56    49 S   CA   _C13    47     1.39424   120.59371    -0.00000
   57    51 S   OH   _O23    67     1.42803   113.04950   -67.18451
   58    57 S   HO   _H38    68     0.97554   107.22884   -37.77196
   59    56 S   CA   _C6_    48     1.40302   121.17142  -179.95577
   60    59 S   HA   _H27    49     1.08795   120.59014    -0.00000
   61    59 S   CA   _C4_    50     1.39252   120.56589   180.00000
   62    61 S   HA   _H25    51     1.08624   119.99854  -180.00000
   63    61 S   CA   _C5_    52     1.39260   119.99813     0.00000
   64    63 S   HA   _H26    53     1.08796   118.80756   179.98022
   65    63 S   CA   _C12    54     1.40275   120.58298     0.00000
   66    65 S   CA   _C7_    55     1.39773   120.98299   179.98022
   67    66 S   HA   _H28    56     1.08788   120.71185    -0.01978
   68    66 S   CA   _C9_    57     1.39356   120.49689  -179.94766
   69    68 S   HA   _H30    58     1.08834   118.55461   179.90109
   70    68 S   CA   _C14    59     1.40153   120.91125    -0.05234
   71    70 S   CA   _C11    60     1.39663   120.43380   179.69417
   72    71 S   HA   _H32    61     1.09000   119.43535    -0.61960
  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
  14   8   2   1   1  12   5   4  14  13  13   8   4  10   6  12
   7   3   6   3   3   1  12   8   1   1   6   3   5   3   5   2
   5   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    51    52    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    51    52    57    58    53  
   38    39    40    41    46    51    52    57  
   36    37  
   37  
    0  
   39    40    41    42    44    71    43    46    51    52    57    48  
   40    41    42    43    51  
   41    42    43    51  
   42    44    45    49    70    71    72    43    46    47    51    53    48    55  
   44    45    49    50    56    65    68    70    71    43    46    48    55  
   46    47    51    52    57    53    54    48    44    68    70    71    72  
   45    49    50    56    59    70    48    55  
   49    50    56    48  
   47    51    52    57    58    53    54    70    71    72  
   51    52    57    53    54    71  
   55    49    56    59    63    65    66    68    69    70    71    72  
   50    56    59    60    61    65    55  
   56    59    55  
   52    57    58    53    54    71  
   57    58    53  
   54    57    71  
    0  
   56    59    60    61    63    64    65    66    67    68    70    71  
   59    60    61    62    63    65    66    70  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66    67    68  
   65    66  
   66    67    68    69    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   71    72  
   72  
    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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    51   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   469.000  1.400
   41    43   469.000  1.400
   42    44   469.000  1.400
   42    48   490.000  1.398
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    59   469.000  1.400
   56    55   490.000  1.398
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    55   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    48   490.000  1.398
   71    72   367.000  1.080
   71    43   469.000  1.400
   43    46   317.000  1.510
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    53   320.000  1.410
   51    52   340.000  1.090
   51    57   320.000  1.410
   57    58   553.000  0.945
   53    54   553.000  0.945
   48    55   490.000  1.398
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    51    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    51    46    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  120.00000
   38    41    43    70.00000  120.00000
   40    38    39    45.00000  125.66300
   41    38    39    85.00000  111.85700
   41    38    40    35.00000  109.50000
   41    42    44    63.00000  120.00000
   41    42    48    70.00000  112.88000
   41    43    71    63.00000  120.00000
   41    43    46    70.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    49    63.00000  120.00000
   42    48    70    60.00000  130.80000
   42    48    55    60.00000  130.80000
   44    49    50    35.00000  120.00000
   44    49    56    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    56    59    63.00000  120.00000
   49    56    55    70.00000  112.88000
   56    49    50    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    61    63.00000  120.00000
   56    55    65    60.00000  130.80000
   56    55    48    60.00000  130.80000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    55    70.00000  112.88000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    55    48    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    48    70.00000  112.88000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    43    63.00000  120.00000
   70    48    55    60.00000  130.80000
   71    43    46    70.00000  120.00000
   43    41    42    63.00000  120.00000
   43    71    72    35.00000  120.00000
   43    46    47    35.00000  109.50000
   43    46    51    70.00000  112.17500
   43    46    53    90.00000  112.51600
   46    51    52    37.50000  110.70000
   46    51    57    50.00000  109.50000
   46    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    57    58    55.00000  108.50000
   57    51    52    35.00000  109.50000
   53    46    47    35.00000  109.50000
   53    46    51    50.00000  109.50000
   48    42    44    70.00000  112.88000
   48    70    71    70.00000  112.88000
   55    56    59    70.00000  112.88000
   55    65    66    70.00000  112.88000
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  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    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.56750  1.0 1.0
   29    33    51    57  -0.07550 -1.0 2.0
   29    33    51    57   0.20000  1.0 3.0
   33    38    41    42   0.04150 -1.0 2.0
   33    38    41    43   0.04150 -1.0 2.0
   33    51    57    58  -0.11600  1.0 1.0
   33    51    57    58  -0.09450 -1.0 2.0
   33    51    57    58   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.43200  1.0 3.0
   34    33    51    46   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    57   0.23400  1.0 3.0
   38    33    51    46   0.56750  1.0 1.0
   38    33    51    46  -0.07550 -1.0 2.0
   38    33    51    46   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    57   0.86500  1.0 1.0
   38    33    51    57  -0.17500 -1.0 2.0
   38    33    51    57   0.20800  1.0 3.0
   38    41    42    44   3.62500 -1.0 2.0
   38    41    42    48   3.62500 -1.0 2.0
   38    41    43    71   3.62500 -1.0 2.0
   38    41   -43    46   3.62500 -1.0 2.0
   39    38    41    42   0.64500  1.0 1.0
   39    38    41    42   0.14800 -1.0 2.0
   39    38    41    42   0.20650  1.0 3.0
   39    38    41    43   0.64500  1.0 1.0
   39    38    41    43   0.14800 -1.0 2.0
   39    38    41    43   0.20650  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    42    44    45   3.62500 -1.0 2.0
   41    42    44    49   3.62500 -1.0 2.0
   41    42    48    70   3.62500 -1.0 2.0
   41    42    48    55   3.62500 -1.0 2.0
   41    43    46    47   0.00000  1.0 1.0
   41    43    46    51   0.04150 -1.0 2.0
   41    43    46    53   0.14300 -1.0 2.0
   41    43    46    53   0.00300  1.0 3.0
   42    41    43    71   3.62500 -1.0 2.0
   42    41    43    46   3.62500 -1.0 2.0
   42    44    49    50   3.62500 -1.0 2.0
   42    44    49    56   3.62500 -1.0 2.0
   42    48   -55    56   3.62500 -1.0 2.0
   42    48    55    65   3.62500 -1.0 2.0
   44    42    48    70   3.62500 -1.0 2.0
   44    42    48    55   3.62500 -1.0 2.0
   44    49    56    59   3.62500 -1.0 2.0
   44    49   -56    55   3.62500 -1.0 2.0
   45    44    49    50   3.62500 -1.0 2.0
   45    44    49    56   3.62500 -1.0 2.0
   49    56    59    60   3.62500 -1.0 2.0
   49    56    59    61   3.62500 -1.0 2.0
   49    56    55    65   3.62500 -1.0 2.0
   49    56    55    48   3.62500 -1.0 2.0
   50    49    56    59   3.62500 -1.0 2.0
   50    49    56    55   3.62500 -1.0 2.0
   56    59    61    62   3.62500 -1.0 2.0
   56    59    61    63   3.62500 -1.0 2.0
   59    56    55    65   3.62500 -1.0 2.0
   59    56    55    48   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61   -63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    55   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    68   3.62500 -1.0 2.0
   63    65   -55    56   3.62500 -1.0 2.0
   63    65    55    48   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    55   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    55    56   3.62500 -1.0 2.0
   66    65    55    48   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    48   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    43   3.62500 -1.0 2.0
   68    70    48    42   3.62500 -1.0 2.0
   68    70    48    55   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    48   3.62500 -1.0 2.0
   70    71   -43    41   3.62500 -1.0 2.0
   70    71    43    46   3.62500 -1.0 2.0
   70    48    55    56   3.62500 -1.0 2.0
   70    48   -55    65   3.62500 -1.0 2.0
   71    70   -48    42   3.62500 -1.0 2.0
   71    70    48    55   3.62500 -1.0 2.0
   71    43    46    47   0.00000  1.0 1.0
   71    43    46    51   0.04150 -1.0 2.0
   71    43    46    53   0.14300 -1.0 2.0
   71    43    46    53   0.00300  1.0 3.0
   72    71    43    41   3.62500 -1.0 2.0
   72    71    43    46   3.62500 -1.0 2.0
   43    41    42    44   3.62500 -1.0 2.0
   43    41    42    48   3.62500 -1.0 2.0
   43    46   -51    33  -0.03700  1.0 1.0
   43    46   -51    33   0.37200 -1.0 2.0
   43    46   -51    33  -0.47300  1.0 3.0
   43    46    51    52   0.43200  1.0 3.0
   43    46    51    57   1.13150  1.0 1.0
   43    46    51    57  -1.01400 -1.0 2.0
   43    46    53    54   0.31900  1.0 1.0
   43    46    53    54  -0.11800 -1.0 2.0
   43    46    53    54   0.38750  1.0 3.0
   46    51    57    58  -0.11600  1.0 1.0
   46    51    57    58  -0.09450 -1.0 2.0
   46    51    57    58   0.21250  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   51    33    38    39   0.62750  1.0 1.0
   51    33    38    39  -0.30950 -1.0 2.0
   51    33    38    39   0.27300  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    41  -0.03700  1.0 1.0
   51    33   -38    41   0.37200 -1.0 2.0
   51    33   -38    41  -0.47300  1.0 3.0
   51    46    53    54  -0.11600  1.0 1.0
   51    46    53    54  -0.09450 -1.0 2.0
   51    46    53    54   0.21250  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   53    46    51    33   0.86500  1.0 1.0
   53    46    51    33  -0.17500 -1.0 2.0
   53    46    51    33   0.20800  1.0 3.0
   53    46    51    52   0.23400  1.0 3.0
   53    46    51    57   3.75450  1.0 1.0
   48    42    44    45   3.62500 -1.0 2.0
   48    42   -44    49   3.62500 -1.0 2.0
   48    70    71    72   3.62500 -1.0 2.0
   48    70   -71    43   3.62500 -1.0 2.0
   55    56    59    60   3.62500 -1.0 2.0
   55    56   -59    61   3.62500 -1.0 2.0
   55    65    66    67   3.62500 -1.0 2.0
   55    65   -66    68   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    43    41    38   4.00000 -1.0 2.0
   44    48    42    41   4.00000 -1.0 2.0
   49    45    44    42   1.10000 -1.0 2.0
   56    50    49    44   1.10000 -1.0 2.0
   59    55    56    49   4.00000 -1.0 2.0
   61    60    59    56   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    55    65    63   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    48    70    68   4.00000 -1.0 2.0
   43    72    71    70   1.10000 -1.0 2.0
   71    46    43    41   4.00000 -1.0 2.0
   70    55    48    42   4.00000 -1.0 2.0
   65    48    55    56   4.00000 -1.0 2.0
END
