* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    126    188     367
    1     0 S   NP   _N1_     1    28.44166    93.87754   -21.97898
    2     1 S   H    _HN1     2     1.02773    96.52750   -81.93486
    3     1 S   H    _H1_     3     1.02959    90.95357    26.67859
    4     1 S   H    _H2_     4     1.02830    24.63281   158.45073
    5     1 S   CT   _CA1     5     1.50146   135.01510   147.22493
    6     5 S   HC   _HA1     6     1.09574   105.20046    64.09153
    7     5 S   CO3  _C1_     7     1.53867   112.44577   -56.02533
    8     7 S   O2Z  _O11     8     1.26369   114.96738   -40.57693
    9     7 S   O2Z  _O12     9     1.26250   115.00807   138.49139
   10     5 S   CT   _CB1    10     1.53123   107.39381  -177.96106
   11    10 S   HC   HB11    11     1.09814   109.44520   -49.90602
   12    10 S   HC   HB12    12     1.09813   110.40544    66.76481
   13    10 S   CT   _CG1    13     1.52895   112.50529  -170.98003
   14    13 S   HC   HG11    14     1.09566   110.26502   -62.98520
   15    13 S   HC   HG12    15     1.09649   109.97215    56.07111
   16    13 S   C    _CD1    16     1.51840   112.61562   176.44896
   17    16 S   O    _OE1    17     1.22691   123.36665    -5.65565
   18    16 S   N    _N2_    18     1.38524   111.33677   174.81930
   19    18 S   H    _HN2    19     1.01710   118.53101     2.35709
   20    18 S   CT1  _CA2    20     1.46098   123.98053  -178.97245
   21    20 S   HC   _HA2    21     1.09712   109.33033   -13.72576
   22    20 S   C    _C2_    22     1.53551   108.14135  -129.55414
   23    22 S   O    _O2_    23     1.23039   122.26923  -147.81198
   24    20 S   CT   _CB2    32     1.53609   111.65649   108.69575
   25    24 S   HC   HB21    33     1.09420   109.30162    55.69107
   26    24 S   HC   HB22    34     1.09420   109.73322   174.26093
   27    22 S   N    _N3_    24     1.38486   113.53102    39.36697
   28    27 S   H    _HN3    25     1.01526   118.86534    -1.01799
   29    24 S   S    _SG2    35     1.82987   111.74608   -65.52425
   30    27 S   CT   _CA3    26     1.45403   123.40898   175.75365
   31    30 S   HC   HA31    27     1.09534   109.09551    26.60873
   32    30 S   HC   HA32    28     1.09495   107.13301   143.51094
   33    29 S   CT   _C10    36     1.86222   101.57768  -179.58035
   34    33 S   OM   _O36    37     1.32024   108.47674   179.43837
   35    30 S   CO3  _C3_    29     1.52914   113.23575   -96.81696
   36    35 S   O2Z  _O31    30     1.26396   115.46168   -43.99839
   37    35 S   O2Z  _O32    31     1.26370   114.95201   136.96021
   38    33 S   CM   _C11    38     1.52675   107.34207    66.18990
   39    38 S   HC   _H13    39     1.09243   115.21096    52.28998
   40    33 S   CT   _C9_    54     1.55416   111.66182   -60.69830
   41    40 S   HC   _H11    55     1.10101   111.05119  -171.72291
   42    40 S   HC   _H12    56     1.09806   108.77367    72.41982
   43    38 S   CM   _C12    40     1.34564   127.09165  -126.44516
   44    43 S   HC   _H14    41     1.08550   120.62595     0.22814
   45    40 S   CO4  _C8_    57     1.52910   116.74282   -49.87815
   46    45 S   O    _O34    58     1.22355   125.49119   -37.01524
   47    43 S   CA   _C13    42     1.47172   124.25943   178.94094
   48    45 S   S    _S1_    59     1.76978   113.61911   145.80523
   49    47 S   CA   _C14    43     1.40295   122.51106    36.86263
   50    49 S   HA   _H15    44     1.08747   120.89033    -0.83556
   51    48 S   CT   _C7_    60     1.82260    98.64526  -132.94313
   52    51 S   HC   _H9_    61     1.09412   108.62103    50.08213
   53    51 S   HC   _H10    62     1.09471   108.75726   -67.42116
   54    49 S   CA   _C15    45     1.39687   120.59268   178.60858
   55    54 S   HA   _H16    46     1.08628   119.79946   179.77971
   56    51 S   CT   _C6_    63     1.52655   111.42405   171.72388
   57    56 S   HC   _H7_    64     1.09598   109.16157   176.68530
   58    56 S   HC   _H8_    65     1.09549   111.29296    57.93270
   59    54 S   CA   _C16    47     1.39098   119.69472    -0.51662
   60    56 S   N    _N4_    66     1.45398   112.81077   -63.06675
   61    60 S   H    _H6_    67     1.01521   117.62563    94.71195
   62    59 S   CA   _C17    48     1.39181   120.67518    -0.24147
   63    62 S   HA   _H17    49     1.08597   121.02298  -179.68659
   64    59 S   OH   _O35    52     1.36605   118.22953  -179.98022
   65    64 S   HO   _H19    53     0.97238   108.55668  -179.93147
   66    60 S   C    _C5_    68     1.38199   122.90824   -83.18659
   67    66 S   O    _O33    69     1.22803   125.26627     0.10087
   68    47 S   CA   _C18    50     1.40341   118.66738  -145.80824
   69    68 S   HA   _H18    51     1.08808   120.49606     1.73720
   70    66 S   CT   _C4_    70     1.50435   112.79099   178.22778
   71    70 S   HC   _H3_    71     1.09369   110.76629    39.65312
   72    70 S   HC   _H4_    72     1.09346   109.53181   159.27830
   73    70 S   HC   _H5_    73     1.09330   109.24636   -80.91983
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  10   4   7   4   3   8   3   6   2   9   7
   8   4   8   5   4   7   3   7   4   3   6   7   3   5   3   2
   1   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    49    68    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    51    43  
   42    45    46    48  
   45    46    48  
   44    47    49    50    54    62    68    69  
   47    49    68  
   46    48    51    52    53    56  
   48    51  
   49    50    54    55    59    62    63    68    69  
   51    52    53    56    57    58    60  
   50    54    55    59    62    68    69    64  
   54    55    59    68  
   52    53    56    57    58    60    61    66  
   53    56    57    58    60  
   56    57    58    60  
   55    59    62    63    68    64    65  
   59    62    64  
   57    58    60    61    66    67    70  
   58    60    61    66  
   60    61    66  
   62    63    68    69    64    65  
   61    66    67    70    71    72    73  
   66    67    70  
   63    68    69    64    65  
   68    69    64  
   65    68  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.5000   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   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    68   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    62   469.000  1.400
   59    64   450.000  1.364
   62    63   367.000  1.080
   62    68   469.000  1.400
   68    69   367.000  1.080
   64    65   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   210.000  1.799
   48    51   222.000  1.810
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   337.000  1.449
   60    61   434.000  1.010
   60    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    35.00000  120.00000
   38    43    47    60.00000  123.20500
   43    38    39    35.00000  120.00000
   43    47    49    60.00000  120.93500
   43    47    68    60.00000  120.93500
   47    43    44    40.00000  117.26300
   47    49    50    35.00000  120.00000
   47    49    54    63.00000  120.00000
   47    68    62    63.00000  120.00000
   47    68    69    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    62    63.00000  120.00000
   54    59    64    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    68    63.00000  120.00000
   59    64    65    35.00000  113.00000
   62    68    69    35.00000  120.00000
   68    47    49    63.00000  120.00000
   68    62    63    35.00000  120.00000
   64    59    62    70.00000  120.00000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  114.16300
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    51    90.00000   96.72000
   48    45    46    80.00000  121.30200
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    56    75.00000  111.63000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    60    70.00000  110.72300
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    61    38.00000  118.40000
   56    60    66    50.00000  121.90000
   58    56    57    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    35.00000  109.50000
   60    66    67    80.00000  122.90000
   60    66    70    70.00000  116.60000
   66    60    61    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.00000  1.0 1.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    49   0.15800  1.0 1.0
   38    43    47    49   1.85350 -1.0 2.0
   38    43    47    49  -0.48700  1.0 3.0
   38    43    47    68   0.15800  1.0 1.0
   38    43    47    68   1.85350 -1.0 2.0
   38    43    47    68  -0.48700  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    49    50   3.62500 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    68    62   3.62500 -1.0 2.0
   43    47    68    69   3.62500 -1.0 2.0
   44    43    47    49   0.56550  1.0 3.0
   44    43    47    68   0.56550  1.0 3.0
   47    49    54    55   3.62500 -1.0 2.0
   47    49    54    59   3.62500 -1.0 2.0
   49    47    68    62   3.62500 -1.0 2.0
   49    47    68    69   3.62500 -1.0 2.0
   49    54   -59    62   3.62500 -1.0 2.0
   49    54    59    64   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   54    59    62    63   3.62500 -1.0 2.0
   54    59    62    68   3.62500 -1.0 2.0
   54    59    64    65   0.84100 -1.0 2.0
   55    54    59    62   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    62   -68    47   3.62500 -1.0 2.0
   59    62    68    69   3.62500 -1.0 2.0
   62    59    64    65   0.84100 -1.0 2.0
   63    62    68    47   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   68    47    49    50   3.62500 -1.0 2.0
   68    47   -49    54   3.62500 -1.0 2.0
   64    59    62    63   3.62500 -1.0 2.0
   64    59    62    68   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    51  -0.11550  1.0 1.0
   40    45    48    51   1.88700 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    51    52   0.24000  1.0 3.0
   45    48    51    53   0.24000  1.0 3.0
   45    48    51    56   0.00000  1.0 1.0
   46    45    48    51  -0.11550  1.0 1.0
   46    45    48    51   1.88700 -1.0 2.0
   48    51    56    57   0.15000  1.0 3.0
   48    51    56    58   0.15000  1.0 3.0
   48    51    56    60   0.56750  1.0 1.0
   48    51    56    60  -0.07550 -1.0 2.0
   48    51    56    60   0.20000  1.0 3.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    66  -0.43950  1.0 1.0
   51    56    60    66  -0.08100 -1.0 2.0
   51    56    60    66   0.03350  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    60   0.15000  1.0 3.0
   56    60    66    67   3.04450 -1.0 2.0
   56    60    66    70   1.49850  1.0 1.0
   56    60    66    70   1.53950 -1.0 2.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    66   0.00000  1.0 1.0
   58    56    60    61   0.00000  1.0 1.0
   58    56    60    66   0.00000  1.0 1.0
   60    66    70    71   0.00000  1.0 1.0
   60    66    70    72   0.00000  1.0 1.0
   60    66    70    73   0.00000  1.0 1.0
   61    60    66    67   2.45000 -1.0 2.0
   61    60    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
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    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   49    68    47    43   4.00000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   62    64    59    54   4.00000 -1.0 2.0
   68    63    62    59   1.10000 -1.0 2.0
   62    69    68    47   1.10000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   61    66    60    56   1.00000 -1.0 2.0
   60    70    66    67  10.50000 -1.0 2.0
END
