* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    115    174     336
    1     0 S   NP   _N1_     1    31.35644    89.55763   -21.75158
    2     1 S   H    _HN1     2     1.03279    92.23397   106.85969
    3     1 S   H    _H1_     3     1.02678    27.38580   -18.67428
    4     1 S   H    _H2_     4     1.03147   135.35404    -9.12029
    5     1 S   CT   _CA1     5     1.50137    97.85870  -141.92596
    6     5 S   HC   _HA1     6     1.09571   105.29319    84.27251
    7     5 S   CO3  _C1_     7     1.53641   112.95526   -36.18332
    8     7 S   O2Z  _O11     8     1.26324   115.29725   -44.80182
    9     7 S   O2Z  _O12     9     1.26305   114.87141   134.51962
   10     5 S   CT   _CB1    10     1.52741   106.82903  -158.18343
   11    10 S   HC   HB11    11     1.09798   108.73952   -54.38088
   12    10 S   HC   HB12    12     1.09776   110.00750    61.57101
   13    10 S   CT   _CG1    13     1.52959   114.07609  -175.67392
   14    13 S   HC   HG11    14     1.09539   111.28588   -74.31438
   15    13 S   HC   HG12    15     1.09576   110.82975    45.72934
   16    13 S   C    _CD1    16     1.51390   109.35906   164.82971
   17    16 S   O    _OE1    17     1.22851   121.87978  -107.82599
   18    16 S   N    _N2_    18     1.38568   113.15358    70.16108
   19    18 S   H    _HN2    19     1.01601   119.54095     5.15465
   20    18 S   CT1  _CA2    20     1.45624   121.73276  -168.46640
   21    20 S   HC   _HA2    21     1.09606   107.78955    35.65924
   22    20 S   C    _C2_    22     1.53139   110.60872   -80.61329
   23    22 S   O    _O2_    23     1.23133   121.03820   155.66192
   24    20 S   CT   _CB2    32     1.53343   112.66112   158.01610
   25    24 S   HC   HB21    33     1.09707   109.44964    72.05185
   26    24 S   HC   HB22    34     1.09580   109.80638  -172.60307
   27    22 S   N    _N3_    24     1.38162   114.45537   -32.03239
   28    27 S   H    _HN3    25     1.01634   119.50390     6.17879
   29    24 S   S    _SG2    35     1.83340   117.96883   -48.04791
   30    27 S   CT   _CA3    26     1.45280   122.92158  -176.39891
   31    30 S   HC   HA31    27     1.09559   107.60568   -60.30012
   32    30 S   HC   HA32    28     1.09562   107.82184    56.03822
   33    29 S   CT   _C12    36     1.83573   102.99810   -43.47794
   34    33 S   HC   _H3_    37     1.08864   105.18261    63.50751
   35    30 S   CO3  _C3_    29     1.52885   114.27965   177.96548
   36    35 S   O2Z  _O31    30     1.26337   116.07637     0.36262
   37    35 S   O2Z  _O32    31     1.26439   114.40864  -179.61134
   38    33 S   CO4  _C11    38     1.53107   112.61091   -55.96706
   39    38 S   O    _O35    39     1.23025   123.20721   -19.28725
   40    33 S   CM   _C13    58     1.51719   108.80684  -179.11353
   41    38 S   CA   _C9_    40     1.49705   118.88218   163.78878
   42    40 S   CM   _C15    59     1.34787   124.28643    78.38108
   43    42 S   HC   _H10    60     1.08893   116.95862    -1.85551
   44    40 S   CO3  _C14    67     1.53765   114.70400  -101.83951
   45    44 S   O2Z  _O36    68     1.26549   115.21520   -79.66184
   46    44 S   O2Z  _O37    69     1.26512   115.56134    96.51752
   47    41 S   CA   _C8_    41     1.40134   120.38435   -33.03018
   48    47 S   HA   _H8_    42     1.08548   120.62119    -1.21386
   49    42 S   CM   _C16    61     1.44137   129.54908   178.67441
   50    47 S   CA   _C7_    43     1.40489   121.28597   179.75531
   51    49 S   CMA  _C17    62     1.52146   123.78467   168.19091
   52    51 S   OM   _O39    63     1.26383   122.42879   -11.09931
   53    51 S   OM   _O38    64     1.26535   119.83281   169.52217
   54    49 S   OH   _O40    65     1.37882   118.10461   -17.76702
   55    54 S   HO   _H11    66     0.97518   104.97367  -176.59688
   56    50 S   CA   _C6_    44     1.40499   118.64296     0.57811
   57    56 S   HA   _H7_    45     1.08625   118.42225  -180.00000
   58    50 S   CO3  _C18    55     1.51195   120.62982  -179.43698
   59    58 S   O2Z  _O42    56     1.27110   117.24756  -175.58115
   60    58 S   O2Z  _O41    57     1.27103   117.40568     4.43619
   61    56 S   CA   _C5_    46     1.39941   121.08806     0.05935
   62    41 S   CA   _C10    47     1.40399   120.70142   147.75057
   63    61 S   OS   _O33    50     1.37273   124.82891   179.74744
   64    62 S   OH   _O34    48     1.37365   122.17315    -0.73595
   65    64 S   HO   _H9_    49     0.97322   109.17011     2.68919
   66    63 S   CT   _C4_    51     1.42204   117.30518     0.99387
   67    66 S   HC   _H4_    52     1.09431   107.73022   179.46624
   68    66 S   HC   _H5_    53     1.09498   111.17578    61.76705
   69    66 S   HC   _H6_    54     1.09494   111.13844   -62.85977
  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
  13   6   2   1   1  11   4   9  10  10   4   3   1   1  10   4
   5   8   4   2   1   1   1   9   4   3   1   1   8   4   5   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    47    62    40    42    43    49    44    45    46  
   38    39    41    40    42    44  
   36    37  
   37  
    0  
   39    41    47    48    50    61    62    64    40    42    44  
   41    47    62    40  
   42    43    49    51    54    44    45    46    41  
   47    48    50    56    61    62    64    65    63    58  
   43    49    51    52    53    54    55    44    45    46  
   49    51    54    44  
   45    46    49  
   46  
    0  
   48    50    56    57    61    62    64    58    59    60  
   50    56    62    58  
   51    52    53    54    55  
   56    57    61    62    63    58    59    60  
   52    53    54    55  
   53    54  
   54  
   55  
    0  
   57    61    62    64    63    66    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    64    65    63    66    67    68    69  
   64    65    63    66  
   66    67    68    69    64  
   65  
    0  
   67    68    69  
   68    69  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.910300   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   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   317.000  1.510
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    47   469.000  1.400
   41    62   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    56   469.000  1.400
   50    58   400.000  1.490
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   450.000  1.364
   64    65   553.000  0.945
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   58    59   656.000  1.250
   58    60   656.000  1.250
   40    42   549.000  1.340
   40    44   230.000  1.545
   42    43   340.000  1.080
   42    49   380.000  1.444
   49    51   465.000  1.376
   49    54   510.000  1.338
   51    52   745.000  1.250
   51    53   745.000  1.250
   54    55   553.000  0.945
   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    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    42    70.00000  124.00000
   33    40    44    65.00000  117.04000
   38    33    34    35.00000  109.50000
   38    41    47    60.00000  119.52600
   38    41    62    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    47    48    35.00000  120.00000
   41    47    50    63.00000  120.00000
   41    62    61    63.00000  120.00000
   41    62    64    70.00000  120.00000
   47    50    56    63.00000  120.00000
   47    50    58    85.00000  120.00000
   50    47    48    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    61    63.00000  120.00000
   50    58    59    80.00000  120.40000
   50    58    60    80.00000  120.40000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    70.00000  120.00000
   61    63    66    75.00000  111.00000
   62    41    47    63.00000  120.00000
   62    64    65    35.00000  113.00000
   63    61    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   58    50    56    85.00000  120.00000
   60    58    59    80.00000  126.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    42    43    35.00000  120.00000
   40    42    49    70.00000  123.01800
   40    44    45    85.00000  113.83300
   40    44    46    85.00000  113.83300
   42    49    51    70.00000  117.34000
   42    49    54    80.00000  121.38400
   49    42    43    35.00000  120.00000
   49    51    52    65.00000  137.10300
   49    51    53    65.00000  137.10300
   49    54    55    70.00000  107.45700
   53    51    52    65.00000  121.00000
   54    49    51    80.00000  121.38400
   44    40    42    55.00000  124.75400
   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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    44   0.09700  1.0 1.0
   29    33    40    44   0.15600 -1.0 2.0
   29    33    40    44  -0.50800  1.0 3.0
   33    38    41    47   2.26350  1.0 1.0
   33    38    41    47   0.76750 -1.0 2.0
   33    38    41    47   0.22500  1.0 3.0
   33    38    41    62   2.26350  1.0 1.0
   33    38    41    62   0.76750 -1.0 2.0
   33    38    41    62   0.22500  1.0 3.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    49   7.00000 -1.0 2.0
   33    40    44    45  -0.64400  1.0 1.0
   33    40    44    45   0.26850 -1.0 2.0
   33    40    44    46  -0.64400  1.0 1.0
   33    40    44    46   0.26850 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    42  -0.51250  1.0 1.0
   38    33    40    42  -0.88800 -1.0 2.0
   38    33    40    42   0.08850  1.0 3.0
   38    33    40    44   0.09700  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44  -0.50800  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    50   3.62500 -1.0 2.0
   38    41    62    61   3.62500 -1.0 2.0
   38    41    62    64   3.62500 -1.0 2.0
   39    38    41    47   1.05000 -1.0 2.0
   39    38    41    62   1.05000 -1.0 2.0
   41    47    50    56   3.62500 -1.0 2.0
   41    47    50    58   3.62500 -1.0 2.0
   41    62    64    65   0.84100 -1.0 2.0
   47    41    62    61   3.62500 -1.0 2.0
   47    41    62    64   3.62500 -1.0 2.0
   47    50    56    57   3.62500 -1.0 2.0
   47    50   -56    61   3.62500 -1.0 2.0
   47    50    58    59   1.05000 -1.0 2.0
   47    50    58    60   1.05000 -1.0 2.0
   48    47    50    56   3.62500 -1.0 2.0
   48    47    50    58   3.62500 -1.0 2.0
   50    56    61    62   3.62500 -1.0 2.0
   50    56    61    63   3.62500 -1.0 2.0
   56    50    58    59   1.05000 -1.0 2.0
   56    50    58    60   1.05000 -1.0 2.0
   56    61   -62    41   3.62500 -1.0 2.0
   56    61    62    64   3.62500 -1.0 2.0
   56    61    63    66   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   0.84100 -1.0 2.0
   61    63    66    67   0.08050  1.0 3.0
   61    63    66    68   0.08050  1.0 3.0
   61    63    66    69   0.08050  1.0 3.0
   62    41    47    48   3.62500 -1.0 2.0
   62    41   -47    50   3.62500 -1.0 2.0
   62    61    63    66   1.63200 -1.0 2.0
   63    61    62    41   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   58    50    56    61   3.62500 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    41   0.65300  1.0 1.0
   40    33    38    41  -0.03850 -1.0 2.0
   40    33    38    41   0.33900  1.0 3.0
   40    42    49    51   0.28850  1.0 1.0
   40    42    49    51   2.61350 -1.0 2.0
   40    42    49    51   0.78400  1.0 3.0
   40    42    49    54   0.50950  1.0 1.0
   40    42    49    54   0.56650 -1.0 2.0
   40    42    49    54   0.34050  1.0 3.0
   42    40    44    45  -0.04000 -1.0 2.0
   42    40    44    45  -0.29050  1.0 3.0
   42    40    44    46  -0.04000 -1.0 2.0
   42    40    44    46  -0.29050  1.0 3.0
   42    49    51    52   7.00000 -1.0 2.0
   42    49    51    53   7.00000 -1.0 2.0
   42    49    54    55  -0.66100  1.0 1.0
   42    49    54    55   1.20850 -1.0 2.0
   42    49    54    55  -0.36000  1.0 3.0
   43    42    49    51  -0.18600  1.0 3.0
   43    42    49    54   0.00000  1.0 1.0
   51    49    54    55  -0.66100  1.0 1.0
   51    49    54    55   1.20850 -1.0 2.0
   51    49    54    55  -0.36000  1.0 3.0
   54    49    51    52   7.00000 -1.0 2.0
   54    49    51    53   7.00000 -1.0 2.0
   44    40    42    43   7.00000 -1.0 2.0
   44    40    42    49   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    41    38    39  10.50000 -1.0 2.0
   47    62    41    38   4.00000 -1.0 2.0
   50    48    47    41   1.10000 -1.0 2.0
   56    58    50    47   4.00000 -1.0 2.0
   61    57    56    50   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   61    64    62    41   4.00000 -1.0 2.0
   59    50    58    60  10.50000 -1.0 2.0
   33    44    40    42  15.00000 -1.0 2.0
   49    43    42    40  15.00000 -1.0 2.0
   42    54    49    51  15.00000 -1.0 2.0
   52    53    51    49  15.00000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
