* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    109    174     321
    1     0 S   NP   _N1_     1    27.77628    97.50570   -21.06114
    2     1 S   H    _HN1     2     1.02958    72.65702    -7.81949
    3     1 S   H    _H1_     3     1.02835    42.44993   134.97588
    4     1 S   H    _H2_     4     1.02777    96.15792  -115.14847
    5     1 S   CT   _CA1     5     1.50126   147.61921    93.07271
    6     5 S   HC   _HA1     6     1.09575   105.22108    87.99953
    7     5 S   CO3  _C1_     7     1.53790   112.37761   -32.20245
    8     7 S   O2Z  _O11     8     1.26366   114.99840   -43.63424
    9     7 S   O2Z  _O12     9     1.26238   114.93411   135.50335
   10     5 S   CT   _CB1    10     1.53099   107.42106  -154.07990
   11    10 S   HC   HB11    11     1.09826   109.34034   -50.51857
   12    10 S   HC   HB12    12     1.09816   110.41892    66.03868
   13    10 S   CT   _CG1    13     1.53012   112.67020  -171.59524
   14    13 S   HC   HG11    14     1.09594   110.48350   -64.20039
   15    13 S   HC   HG12    15     1.09656   109.92674    54.99983
   16    13 S   C    _CD1    16     1.51838   112.33260   175.37738
   17    16 S   O    _OE1    17     1.22744   123.29377    -0.11869
   18    16 S   N    _N2_    18     1.38563   111.68110   179.89532
   19    18 S   H    _HN2    19     1.01550   119.00688     4.69498
   20    18 S   CT1  _CA2    20     1.45843   122.90857   178.08113
   21    20 S   HC   _HA2    21     1.09723   108.99628    23.72201
   22    20 S   C    _C2_    22     1.52973   106.97450   -93.35565
   23    22 S   O    _O2_    23     1.22996   123.02060   -25.05790
   24    20 S   CT   _CB2    32     1.53257   112.22979   146.91028
   25    24 S   HC   HB21    33     1.09523   109.87811    56.20128
   26    24 S   HC   HB22    34     1.09414   109.54777   174.75895
   27    22 S   N    _N3_    24     1.38507   112.66247   157.71203
   28    27 S   H    _HN3    25     1.01680   120.37792    -2.31215
   29    24 S   S    _SG2    35     1.82968   111.06890   -64.71568
   30    27 S   CT   _CA3    26     1.45362   122.36017   178.41218
   31    30 S   HC   HA31    27     1.09576   107.82608   -54.63371
   32    30 S   HC   HA32    28     1.09567   107.56291    61.65827
   33    29 S   CT   _C16    36     1.85990   100.94512  -178.38820
   34    33 S   Cl   Cl1_    37     1.81788   108.47407   179.07233
   35    30 S   CO3  _C3_    29     1.52865   114.45702  -176.60892
   36    35 S   O2Z  _O31    30     1.26308   116.10543    -0.96813
   37    35 S   O2Z  _O32    31     1.26451   114.38606   179.01364
   38    33 S   CM   _C15    38     1.51932   106.67673   -68.79469
   39    38 S   HC   _H11    39     1.08866   118.36186   -55.66078
   40    38 S   CM   _C14    40     1.33874   123.32949   124.58232
   41    40 S   HC   _H10    41     1.08485   119.85647   179.55633
   42    40 S   CM   _C13    42     1.43780   119.93819     0.40056
   43    42 S   CM   _C12    43     1.34334   122.96878     0.08847
   44    43 S   HC   _H9_    44     1.08554   119.74842   179.12553
   45    42 S   NO2  _N5_    61     1.46096   119.72764   179.66957
   46    45 S   ON   _O35    62     1.23899   117.09848    26.33091
   47    45 S   ON   _O34    63     1.23918   118.46658  -153.12115
   48    33 S   CM   _C11    45     1.55496   112.10046    58.33120
   49    48 S   CMA  _C10    46     1.37351   123.66992    59.45664
   50    49 S   OM   _O33    47     1.26432   129.04494    -0.39117
   51    49 S   NE   _N4_    48     1.39855   120.74226  -175.04322
   52    51 S   H    _H8_    49     1.01391   114.67982    38.73111
   53    51 S   CA   _C7_    50     1.41532   130.97917  -133.18399
   54    53 S   CA   _C6_    51     1.40579   118.43723  -166.48757
   55    54 S   HA   _H5_    52     1.08791   120.10752    -0.99897
   56    54 S   CA   _C5_    53     1.39703   121.13236   178.71199
   57    56 S   HA   _H4_    54     1.08612   119.92625   179.93147
   58    56 S   CA   _C4_    55     1.39172   120.00463    -0.28667
   59    58 S   HA   _H3_    56     1.08588   120.13735  -179.96044
   60    58 S   CA   _C9_    57     1.39229   119.75353    -0.07913
   61    60 S   HA   _H7_    58     1.08627   120.01145  -179.98022
   62    53 S   CA   _C8_    59     1.40290   123.56586    11.42563
   63    62 S   HA   _H6_    60     1.08687   120.85523     2.45639
  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   8   5   4   3
  12   6   2   1   1   8   4   8   3   7   8   3   3   1   1   5
   6   3   8   3   9   8   4   6   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    48    49    50    51  
   38    39    40    43    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    45  
   40    41    42    48  
   41    42    43    44    48    45    46    47  
   42    43    45  
   43    44    48    49    45    46    47  
   44    48    49    50    51    45    46    47  
   48    49    45  
   46    47    48  
   47  
    0  
   49    50    51    52    53  
   50    51    52    53    54    62  
   51    52    53  
   52    53    54    55    56    60    62    63  
   53    54    62  
   54    55    56    57    58    60    61    62    63  
   55    56    57    58    59    60    62    63  
   56    57    58    62  
   57    58    59    60    61    62  
   58    59    60  
   59    60    61    62    63  
   60    61    62  
   61    62    63  
   62    63  
   63  
    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   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   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   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   46   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   47   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   48   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    38   317.000  1.510
   33    48   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   380.000  1.444
   42    43   549.000  1.340
   42    45   325.000  1.425
   43    44   340.000  1.080
   43    48   380.000  1.444
   48    49   465.000  1.376
   49    50   745.000  1.250
   49    51   415.000  1.382
   51    52   434.000  1.010
   51    53   481.000  1.340
   53    54   469.000  1.400
   53    62   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   45    46   550.000  1.225
   45    47   550.000  1.225
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  110.65400
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    43    70.00000  124.00000
   33    48    49    70.00000  124.00000
   38    33    34    75.00000  111.90500
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  123.01800
   40    38    39    35.00000  120.00000
   40    42    43    70.00000  123.01800
   40    42    45    70.00000  118.30600
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    48    70.00000  123.01800
   42    45    46    90.00000  119.02900
   42    45    47    90.00000  119.02900
   43    48    49    70.00000  117.34000
   48    33    34    75.00000  111.90500
   48    33    38    70.00000  110.12100
   48    43    44    35.00000  120.00000
   48    49    50    65.00000  137.10300
   48    49    51    75.00000  114.40000
   49    51    52    50.00000  121.48000
   49    51    53    75.00000  121.78000
   51    49    50   105.00000  113.92000
   51    53    54    70.00000  120.10000
   51    53    62    70.00000  120.10000
   53    51    52    35.00000  113.50000
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    62    60    63.00000  120.00000
   53    62    63    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   62    53    54    63.00000  120.00000
   62    60    61    35.00000  120.00000
   45    42    43    70.00000  118.30600
   47    45    46    80.00000  125.30000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    43   0.42700  1.0 1.0
   29    33    48    43  -0.70350 -1.0 2.0
   29    33    48    43  -0.43150  1.0 3.0
   29    33    48    49   0.42700  1.0 1.0
   29    33    48    49  -0.70350 -1.0 2.0
   29    33    48    49  -0.43150  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    49    50   7.00000 -1.0 2.0
   33    48    49    51   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    48    43   0.09700  1.0 1.0
   34    33    48    43   0.15600 -1.0 2.0
   34    33    48    43  -0.50800  1.0 3.0
   34    33    48    49   0.09700  1.0 1.0
   34    33    48    49   0.15600 -1.0 2.0
   34    33    48    49  -0.50800  1.0 3.0
   38    33    48    43  -0.28300  1.0 1.0
   38    33    48    43   0.26700 -1.0 2.0
   38    33    48    43  -0.63300  1.0 3.0
   38    33    48    49  -0.28300  1.0 1.0
   38    33    48    49   0.26700 -1.0 2.0
   38    33    48    49  -0.63300  1.0 3.0
   38    40   -42    43   0.28850  1.0 1.0
   38    40   -42    43   2.61350 -1.0 2.0
   38    40   -42    43   0.78400  1.0 3.0
   38    40    42    45  -0.18600  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    48   7.00000 -1.0 2.0
   40    42    45    46   0.65450 -1.0 2.0
   40    42    45    47   0.65450 -1.0 2.0
   41    40    42    43  -0.18600  1.0 3.0
   41    40    42    45   0.00000  1.0 1.0
   42    43   -48    33  -0.18600  1.0 3.0
   42    43    48    49   0.28850  1.0 1.0
   42    43    48    49   2.61350 -1.0 2.0
   42    43    48    49   0.78400  1.0 3.0
   43    42    45    46   0.65450 -1.0 2.0
   43    42    45    47   0.65450 -1.0 2.0
   43    48    49    50   7.00000 -1.0 2.0
   43    48    49    51   7.00000 -1.0 2.0
   44    43    48    33   0.00000  1.0 1.0
   44    43    48    49  -0.18600  1.0 3.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40  -0.28300  1.0 1.0
   48    33   -38    40   0.26700 -1.0 2.0
   48    33   -38    40  -0.63300  1.0 3.0
   48    49    51    52   1.00000 -1.0 2.0
   48    49    51    53  -0.54500  1.0 1.0
   48    49    51    53   1.14150 -1.0 2.0
   49    51    53    54   0.70250  1.0 1.0
   49    51    53    54   1.56150 -1.0 2.0
   49    51    53    62   0.70250  1.0 1.0
   49    51    53    62   1.56150 -1.0 2.0
   50    49    51    52   1.00000 -1.0 2.0
   50    49    51    53   1.00000 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    56   3.62500 -1.0 2.0
   51    53    62    60   3.62500 -1.0 2.0
   51    53    62    63   3.62500 -1.0 2.0
   52    51    53    54   1.00000 -1.0 2.0
   52    51    53    62   1.00000 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    58   3.62500 -1.0 2.0
   54    53    62    60   3.62500 -1.0 2.0
   54    53    62    63   3.62500 -1.0 2.0
   54    56    58    59   3.62500 -1.0 2.0
   54    56   -58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58    60    62   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60   -62    53   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   61    60    62    53   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   62    53    54    55   3.62500 -1.0 2.0
   62    53   -54    56   3.62500 -1.0 2.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    48   7.00000 -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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   33    43    48    49   1.10000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   52    49    51    53   1.00000 -1.0 2.0
   54    62    53    51   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   60    63    62    53   1.10000 -1.0 2.0
   46    42    45    47  10.50000 -1.0 2.0
END
