* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    119    195     352
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.80594    98.15691  -178.21469
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C16    37     1.51176   110.91158   -60.01138
   38    33 S   OH   _O22    68     1.41987   112.61286   176.12495
   39    38 S   HO   _H35    69     0.97070   106.85546  -175.66984
   40    37 S   CA   _C12    38     1.45266   122.27109   -64.69820
   41    37 S   CMA  _C17    50     1.35735   111.27060   117.11843
   42    41 S   OM   _O18    51     1.26446   128.75530   179.57618
   43    40 S   CA   _C4_    39     1.39428   120.01058   -57.93392
   44    43 S   HA   _H24    40     1.08726   120.91158     0.00000
   45    41 S   OS   _O19    52     1.43082   108.21068    -0.15577
   46    43 S   CA   _C8_    41     1.39503   120.03018  -179.95154
   47    46 S   HA   _H28    42     1.08604   119.71289  -179.97202
   48    33 S   CM   _C18    53     1.50081   111.22102    51.97856
   49    46 S   CA   _C14    43     1.39552   119.95531    -0.04846
   50    48 S   CM   _C19    54     1.33750   128.68035    66.72307
   51    50 S   HC   _H32    55     1.08856   117.43312     1.66953
   52    49 S   CA   _C9_    44     1.39428   120.01450     0.03956
   53    52 S   HA   _H29    45     1.08627   120.37565   179.94405
   54    49 S   OH   _O20    48     1.36138   119.99578   179.97202
   55    54 S   HO   _H33    49     0.97064   110.25780     0.12972
   56    50 S   CA   _C13    56     1.43196   124.60108  -180.00000
   57    40 S   CA   _C5_    46     1.39490   119.98641   122.10018
   58    57 S   HA   _H25    47     1.08735   120.86099    -0.02798
   59    56 S   CA   _C6_    57     1.39474   120.01903    61.68374
   60    59 S   HA   _H26    58     1.08793   120.82617     0.01978
   61    59 S   CA   _C10    59     1.39423   120.04221  -179.96044
   62    61 S   HA   _H30    60     1.08731   119.71345  -179.97202
   63    61 S   CA   _C15    61     1.39502   120.00058     0.01978
   64    63 S   CA   _C11    62     1.39532   119.98095     0.03426
   65    64 S   HA   _H31    63     1.08630   120.35465  -180.00000
   66    63 S   OH   _O21    66     1.36145   120.05538  -179.98022
   67    66 S   HO   _H34    67     0.97061   110.20939     0.05595
   68    56 S   CA   _C7_    64     1.39502   120.02358  -118.27023
   69    68 S   HA   _H27    65     1.08745   120.80464    -0.01978
  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
  13   2   1   1  14   6   1  13   6   2   8   4   4   7   3   5
   6   8   3   5   3   2   1   9   1   1   8   4   7   3   6   5
   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    41    45    48    50    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    57    41    42    45    48    50    51    56    38    39  
   35    36  
   36  
    0  
   40    43    44    46    52    57    58    41    42    45    48    50    38    39  
   39    40    41    45    48    50  
   48  
   43    44    46    47    49    52    53    57    58    41    42    45    48  
   42    45    48    50    43    57  
   45    48  
   44    46    47    49    52    57    58    54  
   46    47    49    57  
   48    50    51    56  
   47    49    52    53    57    54    55  
   49    52    54  
   50    51    56    59    68  
   52    53    57    58    54    55  
   51    56    59    60    61    64    68    69  
   56    59    68  
   53    57    58    54    55  
   57    58    54  
   55    57  
    0  
   59    60    61    62    63    64    65    68    69  
   58  
    0  
   60    61    62    63    64    68    69    66  
   61    62    63    68  
   62    63    64    65    68    66    67  
   63    64    66  
   64    65    68    69    66    67  
   65    68    69    66    67  
   68    69    66  
   67    68  
    0  
   69  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   2.8500   0.1400  -0.570000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    48   317.000  1.510
   33    38   320.000  1.410
   37    40   320.000  1.460
   37    41   465.000  1.376
   40    43   469.000  1.400
   40    57   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   54    55   553.000  0.945
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    48   440.000  1.360
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    56   320.000  1.460
   56    59   469.000  1.400
   56    68   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   469.000  1.400
   63    66   450.000  1.364
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   66    67   553.000  0.945
   38    39   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    48    75.00000  112.20000
   29    33    38    85.00000  114.68000
   33    37    40    60.00000  124.00000
   33    37    41    70.00000  124.00000
   33    48    45    85.00000  112.85300
   33    48    50    70.00000  124.00000
   33    38    39    55.00000  108.50000
   37    40    43    60.00000  118.70000
   37    40    57    60.00000  118.70000
   37    41    42    65.00000  137.10300
   37    41    45    80.00000  120.01400
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   40    57    52    63.00000  120.00000
   40    57    58    35.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    49    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    57    58    35.00000  120.00000
   57    40    43    63.00000  120.00000
   57    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   41    37    40    60.00000  123.66000
   41    45    48    90.00000  114.05000
   45    41    42    65.00000  121.00000
   45    48    50    80.00000  120.01400
   48    33    37    70.00000  110.12100
   48    50    51    35.00000  120.00000
   48    50    56    60.00000  123.20500
   50    56    59    60.00000  120.93500
   50    56    68    60.00000  120.93500
   56    50    51    40.00000  117.26300
   56    59    60    35.00000  120.00000
   56    59    61    63.00000  120.00000
   56    68    64    63.00000  120.00000
   56    68    69    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    63.00000  120.00000
   61    63    66    70.00000  120.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    68    63.00000  120.00000
   63    66    67    35.00000  113.00000
   64    68    69    35.00000  120.00000
   68    56    59    63.00000  120.00000
   68    64    65    35.00000  120.00000
   66    63    64    70.00000  120.00000
   38    33    37    90.00000  110.39200
   38    33    48    90.00000  110.39200
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   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
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    48    45   0.09700  1.0 1.0
   29    33    48    45   0.15600 -1.0 2.0
   29    33    48    45  -0.50800  1.0 3.0
   29    33    48    50   0.42700  1.0 1.0
   29    33    48    50  -0.70350 -1.0 2.0
   29    33    48    50  -0.43150  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    43  -0.02500  1.0 1.0
   33    37    40    43  -0.32150 -1.0 2.0
   33    37    40    43  -0.01500  1.0 3.0
   33    37    40    57  -0.02500  1.0 1.0
   33    37    40    57  -0.32150 -1.0 2.0
   33    37    40    57  -0.01500  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37   -41    45   7.00000 -1.0 2.0
   33    48    50    51   7.00000 -1.0 2.0
   33    48    50    56   7.00000 -1.0 2.0
   37    33   -48    45   0.09700  1.0 1.0
   37    33   -48    45   0.15600 -1.0 2.0
   37    33   -48    45  -0.50800  1.0 3.0
   37    33    48    50  -0.28300  1.0 1.0
   37    33    48    50   0.26700 -1.0 2.0
   37    33    48    50  -0.63300  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    46   3.62500 -1.0 2.0
   37    40    57    52   3.62500 -1.0 2.0
   37    40    57    58   3.62500 -1.0 2.0
   37    41   -45    48   2.00000 -1.0 2.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    45   7.00000 -1.0 2.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    49   3.62500 -1.0 2.0
   43    40    57    52   3.62500 -1.0 2.0
   43    40    57    58   3.62500 -1.0 2.0
   43    46   -49    52   3.62500 -1.0 2.0
   43    46    49    54   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -57    40   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    57    40   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   57    40    43    44   3.62500 -1.0 2.0
   57    40   -43    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    57   3.62500 -1.0 2.0
   41    37    40    43   0.15800  1.0 1.0
   41    37    40    43   1.85350 -1.0 2.0
   41    37    40    43  -0.48700  1.0 3.0
   41    37    40    57   0.15800  1.0 1.0
   41    37    40    57   1.85350 -1.0 2.0
   41    37    40    57  -0.48700  1.0 3.0
   41    45   -48    33   2.00000 -1.0 2.0
   41    45    48    50   2.00000 -1.0 2.0
   42    41    45    48   2.00000 -1.0 2.0
   45    48    50    51   7.00000 -1.0 2.0
   45    48    50    56   7.00000 -1.0 2.0
   48    33    37    40   0.09700  1.0 1.0
   48    33    37    40   0.15600 -1.0 2.0
   48    33    37    40  -0.50800  1.0 3.0
   48    33   -37    41  -0.28300  1.0 1.0
   48    33   -37    41   0.26700 -1.0 2.0
   48    33   -37    41  -0.63300  1.0 3.0
   48    33    38    39  -0.07800  1.0 1.0
   48    33    38    39  -0.21500 -1.0 2.0
   48    33    38    39  -0.03150  1.0 3.0
   48    50    56    59   0.15800  1.0 1.0
   48    50    56    59   1.85350 -1.0 2.0
   48    50    56    59  -0.48700  1.0 3.0
   48    50    56    68   0.15800  1.0 1.0
   48    50    56    68   1.85350 -1.0 2.0
   48    50    56    68  -0.48700  1.0 3.0
   50    56    59    60   3.62500 -1.0 2.0
   50    56    59    61   3.62500 -1.0 2.0
   50    56    68    64   3.62500 -1.0 2.0
   50    56    68    69   3.62500 -1.0 2.0
   51    50    56    59   0.56550  1.0 3.0
   51    50    56    68   0.56550  1.0 3.0
   56    59    61    62   3.62500 -1.0 2.0
   56    59    61    63   3.62500 -1.0 2.0
   59    56    68    64   3.62500 -1.0 2.0
   59    56    68    69   3.62500 -1.0 2.0
   59    61   -63    64   3.62500 -1.0 2.0
   59    61    63    66   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    68   3.62500 -1.0 2.0
   61    63    66    67   0.84100 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    66   3.62500 -1.0 2.0
   63    64   -68    56   3.62500 -1.0 2.0
   63    64    68    69   3.62500 -1.0 2.0
   64    63    66    67   0.84100 -1.0 2.0
   65    64    68    56   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   68    56    59    60   3.62500 -1.0 2.0
   68    56   -59    61   3.62500 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    68   3.62500 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    41   0.67800  1.0 1.0
   38    33    37    41   0.47050 -1.0 2.0
   38    33    37    41  -0.62500  1.0 3.0
   38    33    48    45   0.09700  1.0 1.0
   38    33    48    45   0.15600 -1.0 2.0
   38    33    48    45  -0.50800  1.0 3.0
   38    33    48    50   0.67800  1.0 1.0
   38    33    48    50   0.47050 -1.0 2.0
   38    33    48    50  -0.62500  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   43    57    40    37   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   49    47    46    43   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   57    53    52    49   1.10000 -1.0 2.0
   52    58    57    40   1.10000 -1.0 2.0
   42    45    41    37   1.10000 -1.0 2.0
   33    45    48    50   1.10000 -1.0 2.0
   56    51    50    48   1.10000 -1.0 2.0
   59    68    56    50   4.00000 -1.0 2.0
   61    60    59    56   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   64    66    63    61   4.00000 -1.0 2.0
   68    65    64    63   1.10000 -1.0 2.0
   64    69    68    56   1.10000 -1.0 2.0
END
