* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    147    233     423
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093    79.95518   -83.92813
    3     1 S   H    _H1_     3     1.02094    98.74406    23.69936
    4     1 S   H    _H2_     4     1.02071    36.12631   133.47295
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C19    36     1.82211    98.13839   -78.16030
   34    33 S   HC   _H3_    37     1.09540   106.99331   -40.01292
   35    33 S   HC   _H4_    38     1.09514   108.45218    74.45783
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C20    39     1.54060   112.55369  -161.45881
   40    39 S   HC   _H42    40     1.09971   108.36359    59.48475
   41    39 S   CA   _C9_    41     1.52213   114.32436   -60.52883
   42    39 S   CO4  _C10    52     1.52646   109.32351   174.26171
   43    42 S   O    _O19    53     1.22437   125.25278   123.53665
   44    41 S   CA   _C7_    42     1.39476   119.95855   -34.31862
   45    44 S   HA   _H26    43     1.08650   120.54443     0.01978
   46    42 S   OS   _O21    54     1.36769   109.44660   -56.71601
   47    44 S   CA   _C5_    44     1.39538   119.97749  -179.97202
   48    47 S   HA   _H24    45     1.08565   119.98044  -179.94405
   49    46 S   CT   _C17    55     1.42952   115.63942  -179.74512
   50    49 S   HC   _H36    56     1.09622   106.07856    30.01580
   51    47 S   CA   _C4_    46     1.39484   119.99310     0.03426
   52    51 S   HA   _H23    47     1.08668   119.98652  -179.92338
   53    49 S   CT   _C11    57     1.54908   108.09493   147.06069
   54    53 S   HC   _H28    58     1.09683   109.87033   -33.77990
   55    53 S   HC   _H29    59     1.09881   108.50918  -150.90753
   56    49 S   CT   _C12    68     1.55055   109.28315   -88.27290
   57    56 S   HC   _H30    69     1.09837   108.41783   151.69729
   58    56 S   HC   _H31    70     1.09677   110.02106    34.52360
   59    51 S   CA   _C6_    48     1.39476   120.02947    -0.03426
   60    59 S   HA   _H25    49     1.08511   120.04003  -179.91377
   61    53 S   CT   _C13    60     1.54654   113.17653    88.80269
   62    61 S   HC   _H32    61     1.09491   110.76812   177.22343
   63    41 S   CA   _C8_    50     1.39484   120.01200   145.73065
   64    63 S   HA   _H27    51     1.08650   120.50726    -0.01978
   65    61 S   C3T  _C15    62     1.50874   110.23616   -57.35211
   66    65 S   HC   _H34    63     1.07671   117.77211   -51.15291
   67    65 S   C3T  _C16    64     1.48092   106.18912    89.55886
   68    67 S   HC   _H35    65     1.07739   121.85163  -138.62050
   69    67 S   CT   _C14    66     1.50903   106.18339     0.02798
   70    69 S   HC   _H33    67     1.09463   112.76007   146.02789
   71    65 S   O3T  _O20    76     1.43144   117.98680   152.39912
   72    61 S   NTH0 _N18    71     1.47975   103.94558    55.16208
   73    72 S   CT   _C18    72     1.45601   114.35425   154.51143
   74    73 S   HC   _H37    73     1.09340   110.11242  -179.98022
   75    73 S   HC   _H38    74     1.09368   110.20017    60.06911
   76    73 S   HC   _H39    75     1.09344   110.27356   -59.93309
  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   7   5   4   3
  10   5   4   2   1   1  12   6  12   8   2   8   4  10   6   3
  14   8   5   3  14   6   5  11   5   4   3   2  13   7   1   1
   8   5   6   4   7   3   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    63    42    43    46  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    47    59    63    64    42    43    46    49  
   41    44    63    42    43    46  
   44    45    47    48    51    59    60    63    64    42    43    46  
   43    46    49    50    53    56    44    63  
   46    49  
   45    47    48    51    52    59    63    64  
   47    48    51    63  
   49    50    53    54    55    61    69    56    57    58  
   48    51    52    59    60    63  
   51    52    59  
   50    53    54    55    61    62    65    67    69    70    56    57    58    72  
   53    54    55    61    69    56    57    58  
   52    59    60    63    64  
   59    60    63  
   54    55    61    62    65    66    67    69    56    57    58    72    73    71  
   55    61    62    65    56    72  
   61    62    65    56    72  
   57    58    72    73    71    61    65    67    68    69    70  
   58    72    67    69    70  
   72    67    69    70  
   60    63    64  
   63    64  
   62    65    66    67    68    69    70    72    73    74    75    76    71  
   65    66    67    69    72    73    71  
   64  
    0  
   66    67    68    69    70    72    73    71  
   67    68    69    72    71  
   68    69    70    72    73    71  
   69    70    72    71  
   70    72    73    74    75    76    71  
   72    73    71  
   72  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   72   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    42   317.000  1.522
   41    44   469.000  1.400
   41    63   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    65   275.000  1.510
   61    72   310.000  1.447
   65    66   340.000  1.088
   65    67   260.000  1.509
   65    71   335.000  1.432
   67    68   340.000  1.088
   67    69   275.000  1.510
   67    71   335.000  1.432
   69    70   340.000  1.090
   69    56   268.000  1.529
   69    72   310.000  1.447
   56    57   340.000  1.090
   56    58   340.000  1.090
   72    73   310.000  1.447
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.17500
   33    39    42    63.00000  111.10000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    44    70.00000  120.00000
   39    41    63    70.00000  120.00000
   39    42    43    80.00000  120.40000
   39    42    46    81.00000  111.40000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  120.00000
   41    44    47    63.00000  120.00000
   41    63    59    63.00000  120.00000
   41    63    64    35.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   47    44    45    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    59    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    59    60    35.00000  120.00000
   51    59    63    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    63    64    35.00000  120.00000
   63    41    44    63.00000  120.00000
   63    59    60    35.00000  120.00000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  110.93000
   42    46    49    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    53    50.00000  109.50000
   46    49    56    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    56    69    58.35000  112.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   53    49    50    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    65    70.00000  112.37300
   53    61    72    75.00000  113.73300
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    65    66    40.00000  115.04500
   61    65    67    60.00000  120.94000
   61    65    71    80.00000  116.47100
   61    72    69    80.00000  110.40700
   61    72    73    80.00000  110.40700
   65    61    62    45.00000  109.38400
   65    67    68    37.50000  117.20000
   65    67    69    60.00000  120.94000
   65    67    71    15.00000   60.43100
   65    71    67    15.00000   59.14900
   67    65    66    37.50000  117.20000
   67    69    70    45.00000  109.38400
   67    69    56    70.00000  112.37300
   67    69    72    75.00000  113.73300
   69    67    68    40.00000  115.04500
   69    56    57    37.50000  110.70000
   69    56    58    37.50000  110.70000
   69    72    73    80.00000  110.40700
   56    49    50    37.50000  110.70000
   56    49    53    58.35000  112.70000
   56    69    70    37.50000  110.70000
   58    56    57    33.00000  107.80000
   72    61    62    50.00000  110.15500
   72    61    65    75.00000  113.73300
   72    69    70    50.00000  110.15500
   72    69    56    75.00000  113.73300
   72    73    74    50.00000  110.15500
   72    73    75    50.00000  110.15500
   72    73    76    50.00000  110.15500
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   71    65    66    50.00000  114.27700
   71    65    67    15.00000   60.43100
   71    67    68    50.00000  114.27700
   71    67    69    80.00000  116.47100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   0.04150 -1.0 2.0
   33    39    41    63   0.04150 -1.0 2.0
   33    39    42    43   0.30150 -1.0 2.0
   33    39    42    46   0.36750  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.43200  1.0 3.0
   34    33    39    42  -0.11250  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.43200  1.0 3.0
   35    33    39    42  -0.11250  1.0 3.0
   39    41    44    45   3.62500 -1.0 2.0
   39    41    44    47   3.62500 -1.0 2.0
   39    41    63    59   3.62500 -1.0 2.0
   39    41    63    64   3.62500 -1.0 2.0
   39    42    46    49   1.63150  1.0 1.0
   39    42    46    49   2.92000 -1.0 2.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    41    63   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    46   0.00000  1.0 1.0
   41    39    42    43   0.30150 -1.0 2.0
   41    39    42    46   0.40000  1.0 3.0
   41    44    47    48   3.62500 -1.0 2.0
   41    44    47    51   3.62500 -1.0 2.0
   44    41    63    59   3.62500 -1.0 2.0
   44    41    63    64   3.62500 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47   -51    59   3.62500 -1.0 2.0
   45    44    47    48   3.62500 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   47    51    59    60   3.62500 -1.0 2.0
   47    51    59    63   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    59   3.62500 -1.0 2.0
   51    59   -63    41   3.62500 -1.0 2.0
   51    59    63    64   3.62500 -1.0 2.0
   52    51    59    60   3.62500 -1.0 2.0
   52    51    59    63   3.62500 -1.0 2.0
   60    59    63    41   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   63    41    44    45   3.62500 -1.0 2.0
   63    41   -44    47   3.62500 -1.0 2.0
   42    39    41    44   0.04300 -1.0 2.0
   42    39    41    63   0.04300 -1.0 2.0
   42    46    49    50   0.08050  1.0 3.0
   42    46    49    53  -0.25900  1.0 1.0
   42    46    49    53  -0.47000 -1.0 2.0
   42    46    49    53   0.11750  1.0 3.0
   42    46    49    56  -0.25900  1.0 1.0
   42    46    49    56  -0.47000 -1.0 2.0
   42    46    49    56   0.11750  1.0 3.0
   43    42    46    49   3.00000 -1.0 2.0
   46    49    53    54   0.23400  1.0 3.0
   46    49    53    55   0.23400  1.0 3.0
   46    49    53    61   0.62750  1.0 1.0
   46    49    53    61  -0.30950 -1.0 2.0
   46    49    53    61   0.27300  1.0 3.0
   46    49    56    69   0.62750  1.0 1.0
   46    49    56    69  -0.30950 -1.0 2.0
   46    49    56    69   0.27300  1.0 3.0
   46    49    56    57   0.23400  1.0 3.0
   46    49    56    58   0.23400  1.0 3.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    65   0.47050  1.0 1.0
   49    53    61    65   0.03900 -1.0 2.0
   49    53    61    65   0.20100  1.0 3.0
   49    53    61    72   1.53400  1.0 1.0
   49    53    61    72  -0.09950 -1.0 2.0
   49    53    61    72   0.05700  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   50    49    56    69   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   53    49    56    69   0.56750  1.0 1.0
   53    49    56    69  -0.07550 -1.0 2.0
   53    49    56    69   0.20000  1.0 3.0
   53    49    56    57   0.15000  1.0 3.0
   53    49    56    58   0.15000  1.0 3.0
   53    61    65    66   0.15000  1.0 3.0
   53    61    65    67   0.07850  1.0 1.0
   53    61    65    67  -0.03950 -1.0 2.0
   53    61    65    67   0.67350  1.0 3.0
   53    61    65    71   0.02550  1.0 1.0
   53    61    65    71  -0.02600 -1.0 2.0
   53    61    65    71   1.20400  1.0 3.0
   53    61   -72    69   1.99000  1.0 1.0
   53    61   -72    69   0.18800 -1.0 2.0
   53    61   -72    69   0.81350  1.0 3.0
   53    61    72    73   0.58650  1.0 1.0
   53    61    72    73   0.12600 -1.0 2.0
   53    61    72    73   0.33350  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    65   0.15000  1.0 3.0
   54    53    61    72   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    65   0.15000  1.0 3.0
   55    53    61    72   0.15000  1.0 3.0
   61    65    67    68   0.15000  1.0 3.0
   61    65   -67    69   0.56750  1.0 1.0
   61    65   -67    69  -0.07550 -1.0 2.0
   61    65   -67    69   0.20000  1.0 3.0
   61    65   -67    71   0.02550  1.0 1.0
   61    65   -67    71  -0.02600 -1.0 2.0
   61    65   -67    71   1.20400  1.0 3.0
   61    65   -71    67   0.06250  1.0 1.0
   61    65   -71    67  -0.01100 -1.0 2.0
   61    65   -71    67   0.28050  1.0 3.0
   61    72    73    74   0.28000  1.0 3.0
   61    72    73    75   0.28000  1.0 3.0
   61    72    73    76   0.28000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    72    69   0.28000  1.0 3.0
   62    61    72    73   0.28000  1.0 3.0
   65    61   -72    69   1.99000  1.0 1.0
   65    61   -72    69   0.18800 -1.0 2.0
   65    61   -72    69   0.81350  1.0 3.0
   65    61    72    73   1.99000  1.0 1.0
   65    61    72    73   0.18800 -1.0 2.0
   65    61    72    73   0.81350  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    56   0.07850  1.0 1.0
   65    67    69    56  -0.03950 -1.0 2.0
   65    67    69    56   0.67350  1.0 3.0
   65    67   -69    72   1.53400  1.0 1.0
   65    67   -69    72  -0.09950 -1.0 2.0
   65    67   -69    72   0.05700  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65   -67    71   0.23400  1.0 3.0
   66    65   -71    67   0.36800  1.0 3.0
   67    69    56    49   0.47050  1.0 1.0
   67    69    56    49   0.03900 -1.0 2.0
   67    69    56    49   0.20100  1.0 3.0
   67    69    56    57   0.15000  1.0 3.0
   67    69    56    58   0.15000  1.0 3.0
   67    69   -72    61   1.99000  1.0 1.0
   67    69   -72    61   0.18800 -1.0 2.0
   67    69   -72    61   0.81350  1.0 3.0
   67    69    72    73   1.99000  1.0 1.0
   67    69    72    73   0.18800 -1.0 2.0
   67    69    72    73   0.81350  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    56   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67   -71    65   0.36800  1.0 3.0
   69    67   -71    65   0.06250  1.0 1.0
   69    67   -71    65  -0.01100 -1.0 2.0
   69    67   -71    65   0.28050  1.0 3.0
   69    72    73    74   0.28000  1.0 3.0
   69    72    73    75   0.28000  1.0 3.0
   69    72    73    76   0.28000  1.0 3.0
   70    69    56    49   0.15000  1.0 3.0
   70    69    56    57   0.15000  1.0 3.0
   70    69    56    58   0.15000  1.0 3.0
   70    69    72    61   0.28000  1.0 3.0
   70    69    72    73   0.28000  1.0 3.0
   56    49    53    54   0.15000  1.0 3.0
   56    49    53    55   0.15000  1.0 3.0
   56    49    53    61   0.56750  1.0 1.0
   56    49    53    61  -0.07550 -1.0 2.0
   56    49    53    61   0.20000  1.0 3.0
   56    69   -72    61   1.99000  1.0 1.0
   56    69   -72    61   0.18800 -1.0 2.0
   56    69   -72    61   0.81350  1.0 3.0
   56    69    72    73   0.58650  1.0 1.0
   56    69    72    73   0.12600 -1.0 2.0
   56    69    72    73   0.33350  1.0 3.0
   72    61    65    66   0.15000  1.0 3.0
   72    61   -65    67   1.53400  1.0 1.0
   72    61   -65    67  -0.09950 -1.0 2.0
   72    61   -65    67   0.05700  1.0 3.0
   72    61    65    71   0.63850  1.0 1.0
   72    61    65    71   0.02700 -1.0 2.0
   72    69   -56    49   1.53400  1.0 1.0
   72    69   -56    49  -0.09950 -1.0 2.0
   72    69   -56    49   0.05700  1.0 3.0
   72    69    56    57   0.15000  1.0 3.0
   72    69    56    58   0.15000  1.0 3.0
   71    65   -67    68   0.23400  1.0 3.0
   71    65   -67    69   0.02550  1.0 1.0
   71    65   -67    69  -0.02600 -1.0 2.0
   71    65   -67    69   1.20400  1.0 3.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    56   0.02550  1.0 1.0
   71    67    69    56  -0.02600 -1.0 2.0
   71    67    69    56   1.20400  1.0 3.0
   71    67   -69    72   0.63850  1.0 1.0
   71    67   -69    72   0.02700 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   44    63    41    39   4.00000 -1.0 2.0
   47    45    44    41   1.10000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   59    52    51    47   1.10000 -1.0 2.0
   63    60    59    51   1.10000 -1.0 2.0
   59    64    63    41   1.10000 -1.0 2.0
   39    46    42    43  10.50000 -1.0 2.0
END
