* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    115    181     336
    1     0 S   NP   _N1_     1    28.91372    94.43433   -20.14962
    2     1 S   H    _HN1     2     1.02803    86.24465   -57.49882
    3     1 S   H    _H1_     3     1.02947    98.40005    50.29735
    4     1 S   H    _H2_     4     1.02853    27.86371   161.47604
    5     1 S   CT   _CA1     5     1.50074   137.26405  -176.39918
    6     5 S   HC   _HA1     6     1.09613   105.18511    48.70960
    7     5 S   CO3  _C1_     7     1.53698   112.05036   -70.91108
    8     7 S   O2Z  _O11     8     1.26308   115.35567   -59.53179
    9     7 S   O2Z  _O12     9     1.26274   114.81370   119.60535
   10     5 S   CT   _CB1    10     1.53089   107.37202   165.81846
   11    10 S   HC   HB11    11     1.09810   108.92783   -55.10087
   12    10 S   HC   HB12    12     1.09820   110.67031    61.23654
   13    10 S   CT   _CG1    13     1.53039   112.67327  -176.49094
   14    13 S   HC   HG11    14     1.09620   110.09036   -65.12118
   15    13 S   HC   HG12    15     1.09629   110.29811    53.93955
   16    13 S   C    _CD1    16     1.51850   112.03758   173.67470
   17    16 S   O    _OE1    17     1.22750   122.99273   -18.71348
   18    16 S   N    _N2_    18     1.38538   111.93598   162.72001
   19    18 S   H    _HN2    19     1.01563   119.07756    -0.26467
   20    18 S   CT1  _CA2    20     1.46343   123.45006  -179.13747
   21    20 S   HC   _HA2    21     1.09734   109.35415   -18.18345
   22    20 S   C    _C2_    22     1.53394   107.87582  -133.81791
   23    22 S   O    _O2_    23     1.22988   122.44292  -143.60473
   24    20 S   CT   _CB2    32     1.53419   111.34461   104.15915
   25    24 S   HC   HB21    33     1.09475   109.45471    53.56419
   26    24 S   HC   HB22    34     1.09504   110.80894   172.03095
   27    22 S   N    _N3_    24     1.38574   113.19326    43.57647
   28    27 S   H    _HN3    25     1.01533   118.90535    -0.25869
   29    24 S   S    _SG2    35     1.82805   111.61674   -68.77937
   30    27 S   CT   _CA3    26     1.45440   123.36528   175.12757
   31    30 S   HC   HA31    27     1.09528   109.14019    26.19272
   32    30 S   HC   HA32    28     1.09492   107.14213   143.19068
   33    29 S   CT   _C14    36     1.84232    99.92547   152.34714
   34    33 S   HC   _H3_    37     1.09630   106.31013    45.28475
   35    30 S   CO3  _C3_    29     1.52938   113.19625   -97.21024
   36    35 S   O2Z  _O31    30     1.26397   115.44614   -43.33339
   37    35 S   O2Z  _O32    31     1.26361   114.95096   137.61584
   38    33 S   CA   _C6_    38     1.52048   111.57219   -73.64833
   39    33 S   CT   _C15    60     1.53529   109.83591   162.96185
   40    39 S   HC   _H14    61     1.09916   109.23239   172.30221
   41    39 S   HC   _H15    62     1.09845   110.90284    55.89960
   42    38 S   CA   _C5_    39     1.40248   119.54512   122.08116
   43    42 S   HA   _H5_    40     1.08767   120.33166    -0.50280
   44    39 S   CO3  _C16    63     1.53323   115.68079   -69.10293
   45    44 S   O2Z  _O34    64     1.26207   116.12896   -32.98898
   46    44 S   O2Z  _O33    65     1.26436   114.45725   148.24406
   47    42 S   CA   _C4_    41     1.39696   120.82676   179.46918
   48    47 S   HA   _H4_    42     1.08724   118.97569   179.87805
   49    47 S   CA   _C9_    43     1.39946   120.55067    -0.33746
   50    49 S   CA   _C8_    44     1.39953   118.88674     0.57130
   51    50 S   HA   _H7_    45     1.08757   120.42906   179.47586
   52    49 S   CT   _C10    48     1.50300   120.56453   179.29529
   53    52 S   HC   _H8_    49     1.09614   111.21026    26.38286
   54    52 S   HC   _H9_    50     1.09609   110.91439   145.34890
   55    38 S   CA   _C7_    46     1.40349   122.06200   -58.73746
   56    55 S   HA   _H6_    47     1.08755   120.54509     0.50046
   57    52 S   N5P  _N4_    51     1.45952   109.31668   -93.61347
   58    57 S   C5X  _C11    52     1.38651   126.24759   -98.43709
   59    58 S   HA   _H10    53     1.07381   118.32548     0.41307
   60    58 S   C5X  _C12    54     1.36624   107.17939  -179.94405
   61    60 S   HA   _H11    55     1.07259   135.25269  -179.53860
   62    60 S   N5P  _N5_    56     1.37131   106.65648     0.45542
   63    62 S   H    _H12    57     1.01612   125.36307   179.87028
   64    57 S   CRP  _C13    58     1.34342   125.36916    82.37170
   65    64 S   HA   _H13    59     1.07864   126.16951    -0.20653
  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   7   4   3   8   4   2   1   1   9   3
  10   7   3  10   4   3   1   1   8   7   4   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    55    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    50    55    56    39    40    41    44    45    46  
   38    42    55    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    51    55    56    39    40    41    44  
   40    41    44    45    46    42    55  
   41    44    45    46  
   44    45    46  
   43    47    48    49    50    55    56    52  
   47    48    49    55  
   45    46  
   46  
    0  
   48    49    50    51    55    52    53    54    57  
   49    50    52  
   50    51    55    56    52    53    54    57    58    64  
   51    55    56    52    53    54    57  
   55    56    52  
   53    54    57    58    59    60    62    64    65    55  
   54    57    58    64  
   57    58    64  
   56  
    0  
   58    59    60    61    62    63    64    65  
   59    60    61    62    63    64    65  
   60    61    62    64  
   61    62    63    64    65  
   62    63    64  
   63    64    65  
   64    65  
   65  
    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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.2500   0.1700   0.024800   1.9750   1.7500   0.001000000  -0.511443539
   58   3.5500   0.0700   0.055400   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.182200   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.174100   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.258000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.186300   1.8650   1.6500   0.001000000  -0.511443539
   63   0.0000   0.0000   0.379700   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.100100   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.237700   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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    55   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    52   317.000  1.510
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   300.000  1.456
   57    58   455.000  1.369
   57    64   520.000  1.338
   58    59   367.000  1.080
   58    60   520.000  1.370
   60    61   367.000  1.080
   60    62   455.000  1.369
   62    63   505.000  1.012
   62    64   520.000  1.338
   64    65   400.000  1.075
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    55    50    63.00000  120.00000
   38    55    56    35.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    49    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    52    70.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    55    63.00000  120.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    57    75.00000  110.34000
   50    55    56    35.00000  120.00000
   55    38    42    63.00000  120.00000
   55    50    51    35.00000  120.00000
   52    49    50    70.00000  120.00000
   52    57    58    60.00000  126.76000
   52    57    64    65.00000  121.70000
   54    52    53    33.00000  107.80000
   57    52    53    50.00000  107.70000
   57    52    54    50.00000  107.70000
   57    58    59    40.00000  122.05800
   57    58    60    90.00000  106.19800
   57    64    62   100.00000  107.19100
   57    64    65    40.00000  125.70600
   58    60    61    35.00000  130.70000
   58    60    62    90.00000  106.19800
   60    58    59    35.00000  130.70000
   60    62    63    40.00000  124.45100
   60    62    64    85.00000  110.35700
   62    60    61    40.00000  122.05800
   62    64    65    40.00000  125.70600
   64    57    58    85.00000  110.35700
   64    62    63    45.00000  124.15700
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
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    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   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    47   3.62500 -1.0 2.0
   33    38    55    50   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    55   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  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   42    38    55    50   3.62500 -1.0 2.0
   42    38    55    56   3.62500 -1.0 2.0
   42    47   -49    50   3.62500 -1.0 2.0
   42    47    49    52   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    55   3.62500 -1.0 2.0
   47    49    52    53   0.00000  1.0 1.0
   47    49    52    54   0.00000  1.0 1.0
   47    49    52    57   0.04300 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   49    50   -55    38   3.62500 -1.0 2.0
   49    50    55    56   3.62500 -1.0 2.0
   49    52    57    58   0.68100  1.0 1.0
   49    52    57    58   0.03350 -1.0 2.0
   49    52    57    58   0.36200  1.0 3.0
   49    52    57    64   0.68100  1.0 1.0
   49    52    57    64   0.03350 -1.0 2.0
   49    52    57    64   0.36200  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   50    49    52    57   0.04300 -1.0 2.0
   51    50    55    38   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   55    38    42    43   3.62500 -1.0 2.0
   55    38   -42    47   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    55   3.62500 -1.0 2.0
   52    57    58    59   3.62500 -1.0 2.0
   52    57    58    60   3.62500 -1.0 2.0
   52    57    64    62   3.62500 -1.0 2.0
   52    57    64    65   3.62500 -1.0 2.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    64   0.00000  1.0 1.0
   54    52    57    58   0.00000  1.0 1.0
   54    52    57    64   0.00000  1.0 1.0
   57    58    60    61   5.37500 -1.0 2.0
   57    58   -60    62   5.37500 -1.0 2.0
   58    57   -64    62   3.62500 -1.0 2.0
   58    57    64    65   3.62500 -1.0 2.0
   58    60    62    63   1.40000 -1.0 2.0
   58    60   -62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   5.37500 -1.0 2.0
   60    62   -64    57   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   1.60000 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   63    62    64    57   2.00000 -1.0 2.0
   63    62    64    65   2.00000 -1.0 2.0
   64    57    58    59   3.62500 -1.0 2.0
   64    57   -58    60   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    55   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   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
   42    55    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   49    48    47    42   1.10000 -1.0 2.0
   50    52    49    47   4.00000 -1.0 2.0
   55    51    50    49   1.10000 -1.0 2.0
   50    56    55    38   1.10000 -1.0 2.0
   58    64    57    52   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    60    62    64   1.00000 -1.0 2.0
   62    65    64    57   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
