* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    134    206     396
    1     0 S   NP   _N1_     1    28.59074    96.41743   -23.04253
    2     1 S   H    _HN1     2     1.02950    72.96072    15.31934
    3     1 S   H    _H1_     3     1.02829    39.07641   165.18070
    4     1 S   H    _H2_     4     1.02784   101.52058   -90.56299
    5     1 S   CT   _CA1     5     1.50107   142.02907   116.85857
    6     5 S   HC   _HA1     6     1.09573   105.21197    89.45813
    7     5 S   CO3  _C1_     7     1.53793   112.44154   -30.79744
    8     7 S   O2Z  _O11     8     1.26370   115.00998   -43.15285
    9     7 S   O2Z  _O12     9     1.26240   114.94566   136.01581
   10     5 S   CT   _CB1    10     1.53084   107.42528  -152.56100
   11    10 S   HC   HB11    11     1.09831   109.39238   -49.89188
   12    10 S   HC   HB12    12     1.09813   110.43762    66.71745
   13    10 S   CT   _CG1    13     1.52984   112.59339  -170.88331
   14    13 S   HC   HG11    14     1.09585   110.59637   -64.87811
   15    13 S   HC   HG12    15     1.09668   109.82160    54.34698
   16    13 S   C    _CD1    16     1.51797   112.27391   174.80039
   17    16 S   O    _OE1    17     1.22727   123.30357     5.04407
   18    16 S   N    _N2_    18     1.38649   111.63417  -175.03162
   19    18 S   H    _HN2    19     1.01581   118.93923     1.84610
   20    18 S   CT1  _CA2    20     1.46189   123.40745   177.96049
   21    20 S   HC   _HA2    21     1.09734   109.37558     1.61192
   22    20 S   C    _C2_    22     1.53532   108.60216  -113.89913
   23    22 S   O    _O2_    23     1.23056   122.29471  -147.84812
   24    20 S   CT   _CB2    32     1.53325   111.56188   123.62159
   25    24 S   HC   HB21    33     1.09590   110.06832    56.19661
   26    24 S   HC   HB22    34     1.09466   109.98127   175.28437
   27    22 S   N    _N3_    24     1.38335   113.68233    39.59635
   28    27 S   H    _HN3    25     1.01591   119.57925    -3.35830
   29    24 S   S    _SG2    35     1.82855   111.52574   -64.75427
   30    27 S   CT   _CA3    26     1.45287   123.19088   177.09444
   31    30 S   HC   HA31    27     1.09550   107.51017   -64.48307
   32    30 S   HC   HA32    28     1.09557   107.98039    51.94931
   33    29 S   CT   _C10    36     1.83991    99.65616   172.60570
   34    33 S   HC   _H3_    37     1.09705   106.29618   -51.32899
   35    30 S   CO3  _C3_    29     1.52955   114.09340   173.94446
   36    35 S   O2Z  _O31    30     1.26374   116.06547    -0.74913
   37    35 S   O2Z  _O32    31     1.26429   114.41196   179.31329
   38    33 S   CA   _C9_    38     1.51934   111.84924    68.24581
   39    33 S   CT   _C11    50     1.53847   108.51357  -167.14985
   40    39 S   HC   _H8_    51     1.09787   110.55321    55.37377
   41    39 S   HC   _H9_    52     1.09668   111.32921   -63.51733
   42    38 S   CA   _C4_    39     1.40466   119.45416  -115.73437
   43    42 S   HA   _H4_    40     1.08768   120.36615     0.33630
   44    39 S   C    _C12    53     1.52035   111.45997   173.17286
   45    44 S   O    _O33    54     1.22881   122.43811   -39.86102
   46    42 S   CA   _C5_    41     1.39514   120.77943  -179.65057
   47    46 S   HA   _H5_    42     1.08622   119.77170  -179.73312
   48    44 S   N    _N4_    55     1.38390   112.81930   140.94609
   49    48 S   H    _H10    56     1.01501   119.75341     0.67955
   50    46 S   CA   _C6_    43     1.39054   119.60405     0.00000
   51    48 S   CT   _C13    57     1.45022   122.55816  -178.37394
   52    51 S   HC   _H11    58     1.09493   107.47291  -157.96767
   53    51 S   HC   _H12    59     1.09558   108.37770   -41.39063
   54    50 S   CA   _C7_    44     1.39138   120.76154     0.10087
   55    54 S   HA   _H6_    45     1.08606   121.03527   179.95577
   56    50 S   OH   _O34    48     1.36591   118.16033   179.72876
   57    56 S   HO   _H24    49     0.97288   108.53615   175.85277
   58    51 S   CT   _C14    60     1.52900   112.43697    79.84263
   59    58 S   HC   _H13    61     1.09670   108.34098  -175.45830
   60    58 S   HC   _H14    62     1.09637   109.82990   -58.92441
   61    38 S   CA   _C8_    46     1.40518   121.99491    64.76943
   62    61 S   HA   _H7_    47     1.08735   120.55820    -0.66647
   63    58 S   CT   _C15    63     1.53276   112.51830    63.62177
   64    63 S   HC   _H15    64     1.09626   110.00599   -63.49941
   65    63 S   HC   _H16    65     1.09646   109.24691    54.16047
   66    63 S   CT   _C16    66     1.52747   112.09005   174.60897
   67    66 S   HC   _H17    67     1.09482   109.08197  -173.15204
   68    66 S   HC   _H18    68     1.09493   109.83588   -52.88772
   69    66 S   NG   _N5_    69     1.47096   111.68801    68.00318
   70    69 S   H    _H19    70     1.01742   119.75463     5.89930
   71    69 S   CG   _C17    71     1.38609   122.60395  -173.22011
   72    71 S   NG   _N7_    72     1.37944   119.31953   179.65282
   73    72 S   H    _H22    73     1.01640   121.27318     1.83739
   74    72 S   H    _H23    74     1.01580   121.31217  -179.77358
   75    71 S   NG   _N6_    75     1.38042   121.75355    -0.48537
   76    75 S   H    _H20    76     1.01602   120.97858   179.89532
   77    75 S   H    _H21    77     1.01523   121.87104    -0.38866
  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
  14   7   2   1   1  13   9   4   3   8   4   7   3   7   3   8
   4   6   9   5   4   5   3   2   1   9   5   4   1   1   8   5
   4   7   4   3   8   3   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    61    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    61    62    39    40    41    44    45    48  
   38    42    61    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    50    54    55    61    62    39    40    41    44  
   40    41    44    45    48    49    51    42    61  
   41    44    45    48  
   44    45    48  
   43    46    47    50    54    61    62    56  
   46    47    50    61  
   45    48    49    51    52    53    58  
   48    49    51  
   47    50    54    55    61    56    57  
   50    54    56  
   49    51    52    53    58    59    60    63  
   51    52    53    58  
   54    55    61    62    56    57  
   52    53    58    59    60    63    64    65    66  
   53    58    59    60    63  
   58    59    60    63  
   55    61    62    56    57  
   61    62    56  
   57    61  
    0  
   59    60    63    64    65    66    67    68    69  
   60    63    64    65    66  
   63    64    65    66  
   62  
    0  
   64    65    66    67    68    69    70    71  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    75  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75    76    77  
   71    72    75  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75  
   75  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   70   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   71   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   72   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   76   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    61   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   367.000  1.080
   54    61   469.000  1.400
   61    62   367.000  1.080
   56    57   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    51   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   337.000  1.463
   69    70   434.000  1.010
   69    71   481.000  1.340
   71    72   481.000  1.340
   71    75   481.000  1.340
   72    73   434.000  1.010
   72    74   434.000  1.010
   75    76   434.000  1.010
   75    77   434.000  1.010
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    61    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    61    54    63.00000  120.00000
   38    61    62    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    56    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    61    63.00000  120.00000
   50    56    57    35.00000  113.00000
   54    61    62    35.00000  120.00000
   61    38    42    63.00000  120.00000
   61    54    55    35.00000  120.00000
   56    50    54    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  119.80000
   44    48    51    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    58    70.00000  110.72300
   51    48    49    38.00000  118.40000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    63    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    58.35000  112.70000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    80.00000  111.20000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    35.00000  118.40000
   66    69    71    50.00000  123.20000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    70.00000  120.00000
   69    71    75    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    74    35.00000  120.00000
   71    75    76    35.00000  120.00000
   71    75    77    35.00000  120.00000
   74    72    73    35.00000  120.00000
   75    71    72    70.00000  120.00000
   77    75    76    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    61    54   3.62500 -1.0 2.0
   33    38    61    62   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    61   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   42    38    61    54   3.62500 -1.0 2.0
   42    38    61    62   3.62500 -1.0 2.0
   42    46   -50    54   3.62500 -1.0 2.0
   42    46    50    56   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50    54    61   3.62500 -1.0 2.0
   46    50    56    57   0.84100 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    56   3.62500 -1.0 2.0
   50    54   -61    38   3.62500 -1.0 2.0
   50    54    61    62   3.62500 -1.0 2.0
   54    50    56    57   0.84100 -1.0 2.0
   55    54    61    38   3.62500 -1.0 2.0
   55    54    61    62   3.62500 -1.0 2.0
   61    38    42    43   3.62500 -1.0 2.0
   61    38   -42    46   3.62500 -1.0 2.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    61   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    61   0.04150 -1.0 2.0
   39    44    48    49   2.45000 -1.0 2.0
   39    44    48    51   1.49850  1.0 1.0
   39    44    48    51   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    53   0.00000  1.0 1.0
   44    48    51    58  -0.43950  1.0 1.0
   44    48    51    58  -0.08100 -1.0 2.0
   44    48    51    58   0.03350  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    51   3.04450 -1.0 2.0
   48    51    58    59   0.15000  1.0 3.0
   48    51    58    60   0.15000  1.0 3.0
   48    51    58    63   0.43900  1.0 1.0
   48    51    58    63   0.49100 -1.0 2.0
   48    51    58    63   0.28400  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   49    48    51    58   0.00000  1.0 1.0
   51    58    63    64   0.15000  1.0 3.0
   51    58    63    65   0.15000  1.0 3.0
   51    58    63    66   0.56750  1.0 1.0
   51    58    63    66  -0.07550 -1.0 2.0
   51    58    63    66   0.20000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    63   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    63   0.15000  1.0 3.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    66    68   0.15000  1.0 3.0
   58    63    66    69   1.34550  1.0 1.0
   58    63    66    69  -0.31050 -1.0 2.0
   58    63    66    69   0.95500  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   63    66    69    70  -0.09500  1.0 1.0
   63    66    69    70  -0.20850 -1.0 2.0
   63    66    69    70   0.20900  1.0 3.0
   63    66    69    71   0.25550 -1.0 2.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69  -0.29100  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69  -0.29100  1.0 3.0
   66    69    71    72   3.96800 -1.0 2.0
   66    69    71    75   3.96800 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.08850  1.0 3.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.08850  1.0 3.0
   69    71    72    73   1.50000 -1.0 2.0
   69    71    72    74   1.50000 -1.0 2.0
   69    71    75    76   1.50000 -1.0 2.0
   69    71    75    77   1.50000 -1.0 2.0
   70    69    71    72   1.50000 -1.0 2.0
   70    69    71    75   1.50000 -1.0 2.0
   72    71    75    76   1.50000 -1.0 2.0
   72    71    75    77   1.50000 -1.0 2.0
   75    71    72    73   1.50000 -1.0 2.0
   75    71    72    74   1.50000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    61    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   54    56    50    46   4.00000 -1.0 2.0
   61    55    54    50   1.10000 -1.0 2.0
   54    62    61    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   49    44    48    51   1.00000 -1.0 2.0
   70    71    69    66   1.00000 -1.0 2.0
   69    72    71    75  10.50000 -1.0 2.0
   74    71    72    73   1.00000 -1.0 2.0
   76    77    75    71   1.00000 -1.0 2.0
END
