* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    143    226     413
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02037   105.78647   -27.19889
    3     1 S   H    _H1_     3     1.02114    63.95048    76.24751
    4     1 S   H    _H2_     4     1.02163    48.50540  -128.45877
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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   _C16    36     1.85913    97.02695  -158.13805
   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   CT   _C14    37     1.55274   109.12956   -57.97024
   38    37 S   HC   _H9_    38     1.09785   110.78739    57.10222
   39    37 S   HC   _H10    39     1.09685   110.14184   174.16702
   40    33 S   CM   _C10    77     1.50855   105.34179    59.99691
   41    40 S   HC   _H8_    78     1.08645   117.10776  -117.43916
   42    37 S   S    _S2_    40     1.83740   115.43065   -64.61981
   43    40 S   CM   _C9_    79     1.33710   124.05704    62.58311
   44    43 S   HC   _H6_    80     1.08420   120.39524  -179.98022
   45    43 S   HC   _H7_    81     1.08470   121.54773    -0.03426
   46    42 S   C4T  _C15    41     1.81695    96.01137   -56.45736
   47    46 S   HC   _H11    42     1.09407   115.20028   -77.42634
   48    46 S   C4T  _C4_    43     1.54598   114.45651   146.20836
   49    48 S   HC   _H4_    44     1.09622   113.44122   134.33987
   50    46 S   N4   _N8_    47     1.45361   109.15127    51.00350
   51    48 S   C4   _C5_    45     1.54864    85.62506  -113.18987
   52    51 S   O    _O1_    46     1.20894   136.50796  -178.51615
   53    33 S   CT1  _C18    48     1.54963   108.09457   178.61280
   54    53 S   HC   _H17    49     1.09754   112.09577   -43.78672
   55    48 S   N    _N4_    54     1.46075   119.01771     1.55079
   56    55 S   H    _H3_    55     1.00833   116.91874   -75.31664
   57    53 S   C    _C19    50     1.50272   113.96657  -164.92540
   58    57 S   OC3  _O6_    51     1.22156   125.02673   -55.87876
   59    55 S   C    _C12    56     1.36794   122.25842   103.95203
   60    59 S   O    _O33    57     1.22068   129.91215    -0.01978
   61    57 S   OH   _O7_    52     1.35544   110.65951   124.27009
   62    61 S   HO   _H18    53     0.98140   111.91936   179.85196
   63    59 S   CD   _C11    58     1.50639   111.88070   179.83449
   64    63 S   C5B  _C7_    59     1.48726   118.87938    89.96334
   65    63 S   NI   _N6_    68     1.29867   120.23553   -90.30922
   66    64 S   C5A  _C6_    60     1.37942   123.72907  -179.98022
   67    66 S   HA   _H5_    61     1.08122   129.01725     0.02798
   68    65 S   OS   _O5_    69     1.40245   111.78659     0.01978
   69    66 S   SA   _S1_    62     1.71545   109.57456   179.83449
   70    68 S   CT   _C17    70     1.41946   108.09133  -179.96044
   71    70 S   HC   _H12    71     1.09344   108.24886   -60.69877
   72    70 S   HC   _H13    72     1.09298   109.02345    59.26152
   73    69 S   CRA  _C8_    63     1.71609    89.17290     0.05234
   74    70 S   C    _C13    73     1.50320   109.75213  -179.98022
   75    74 S   O    _O3_    74     1.22113   125.83504    -1.35898
   76    64 S   N5B  _N5_    64     1.38129   120.32515    -0.09691
   77    73 S   NE   _N7_    65     1.35987   119.26725   179.89347
   78    77 S   H    _H14    66     1.02524   121.67869   176.87081
   79    77 S   H    _H15    67     1.02548   121.65602     3.24263
   80    74 S   OH   _O4_    75     1.35695   110.15737   178.55856
   81    80 S   HO   _H16    76     0.98104   111.92028  -179.95577
  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  12   5   4   3
  17   2   1   1  13   5   4   9   4   8   3   1   1  12   6  10
   6   8   7   2   5   3   6   3   3   2   7   3   1   1   9   8
   7   5   3   6   5   6   4   3   4   3   2   3   2   1   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    53    54    57    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    46    51    50    53    54    57    58    61    40    41    43    44    45  
   35    36  
   36  
    0  
   38    39    42    46    47    48    50    53    54    57    40    41    43  
   39    42    46    53    40  
   42    46    53    40  
   41    43    44    45    42    50    53    54    57  
   43    44    45    53  
   46    47    48    49    51    50    53    55  
   44    45    53  
   45  
    0  
   47    48    49    51    52    50    53    54    57    55    56    59  
   48    49    51    50    53    55  
   49    51    52    50    53    55    56    59    60    63  
   51    52    50    55    56    59  
   53    54    57    58    61    55    51    52  
   52    53    54    57    55    56    59  
   53    55  
   54    57    58    61    62  
   57    58    61  
   56    59    60    63    64    65  
   59    60    63  
   58    61    62  
   61    62  
   60    63    64    66    76    65    68  
   63    64    65  
   62  
    0  
   64    66    67    69    73    76    65    68    70  
   66    67    69    73    76    77    65    68  
   68    70    71    72    74    66    76  
   67    69    73    76    77  
   69    73    76  
   70    71    72    74    75    80  
   73    76    77    78    79  
   71    72    74    75    80    81  
   72    74    75    80  
   74    75    80  
   76    77    78    79  
   75    80    81  
   80    81  
   77    78    79  
   78    79  
   79  
    0  
   81  
    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   0.167500   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   65   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   66   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   70   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   76   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   77   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    53   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   222.000  1.810
   42    46   200.000  1.824
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   305.000  1.456
   48    49   340.000  1.090
   48    51   250.000  1.540
   48    55   337.000  1.449
   51    52   930.000  1.212
   51    50   440.000  1.369
   50    53   337.000  1.449
   53    54   340.000  1.090
   53    57   317.000  1.522
   57    58   570.000  1.229
   57    61   450.000  1.364
   61    62   553.000  0.945
   55    56   434.000  1.010
   55    59   490.000  1.335
   59    60   570.000  1.229
   59    63   270.000  1.486
   63    64   305.000  1.466
   63    65   500.000  1.261
   64    66   520.000  1.370
   64    76   410.000  1.394
   66    67   367.000  1.080
   66    69   265.000  1.745
   69    73   250.000  1.765
   73    76   488.000  1.335
   73    77   420.000  1.385
   77    78   434.000  1.010
   77    79   434.000  1.010
   65    68   320.000  1.394
   68    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   317.000  1.522
   74    75   570.000  1.229
   74    80   450.000  1.364
   80    81   553.000  0.945
   40    41   340.000  1.080
   40    43   549.000  1.340
   43    44   340.000  1.080
   43    45   340.000  1.080
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  111.63000
   29    33    53    75.00000  108.68000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    75.00000  111.63000
   33    53    50    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    57    63.00000  111.10000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   37    42    46    85.00000   99.86700
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    47    45.00000  109.41400
   42    46    48    65.00000  119.05700
   42    46    50    80.00000  108.62000
   46    48    49    37.50000  110.70000
   46    48    51   100.00000   86.36000
   46    48    55    80.00000  110.05700
   46    50    51   100.00000   93.00000
   46    50    53    50.00000  132.70000
   48    46    47    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    50    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    59    50.00000  121.90000
   51    48    49    40.00000  113.37500
   51    50    53    50.00000  132.10000
   50    46    47    50.00000  112.01000
   50    46    48   105.00000   87.49700
   50    51    52    75.00000  131.60000
   50    53    54    35.00000  109.50000
   50    53    57    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    57    58    75.00000  119.65400
   53    57    61    80.00000  116.87500
   57    53    54    35.00000  109.50000
   57    61    62    35.00000  113.00000
   61    57    58    80.00000  121.00000
   55    48    49    50.00000  112.01000
   55    48    51    75.00000  110.24000
   55    59    60    80.00000  122.90000
   55    59    63    75.00000  109.57000
   59    55    56    35.00000  119.80000
   59    63    64    75.00000  114.44000
   59    63    65    65.00000  123.79500
   63    59    60    80.00000  120.45000
   63    64    66    60.00000  121.09900
   63    64    76    60.00000  126.00000
   63    65    68   100.00000  109.52600
   64    66    67    35.00000  130.70000
   64    66    69    80.00000  111.29200
   64    76    73    70.00000  110.00000
   66    69    73   120.00000   89.04400
   69    66    67    40.00000  122.38200
   69    73    76    80.00000  114.57700
   69    73    77    70.00000  122.29500
   73    77    78    35.00000  113.50000
   73    77    79    35.00000  113.50000
   76    64    66    70.00000  111.00000
   77    73    76    75.00000  125.31200
   79    77    78    35.00000  109.00000
   65    63    64    65.00000  124.33800
   65    68    70   110.00000  106.71400
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    74    90.00000  108.55600
   70    74    75    80.00000  120.40000
   70    74    80    70.00000  108.00000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   74    80    81    35.00000  113.00000
   80    74    75   100.00000  123.32000
   40    33    37    70.00000  112.02700
   40    33    53    70.00000  112.02700
   40    43    44    35.00000  120.00000
   40    43    45    35.00000  120.00000
   43    40    41    35.00000  120.00000
   45    43    44    35.00000  117.00000
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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    53    50   0.71400  1.0 1.0
   29    33    53    50   0.04300 -1.0 2.0
   29    33    53    50   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57  -2.17200  1.0 1.0
   29    33    53    57  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    42    46  -0.25000 -1.0 2.0
   33    37    42    46  -0.01800  1.0 3.0
   33    53    57    58   0.27300 -1.0 2.0
   33    53    57    61   0.50000  1.0 1.0
   33    53    57    61   0.27300 -1.0 2.0
   33    53    57    61   0.22500  1.0 3.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   7.00000 -1.0 2.0
   37    33    53    50   0.42250  1.0 1.0
   37    33    53    50  -0.48100 -1.0 2.0
   37    33    53    50   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57  -0.84850  1.0 1.0
   37    33    53    57  -0.22800 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    43   0.09850  1.0 1.0
   37    33    40    43   0.15250 -1.0 2.0
   37    33    40    43  -0.50650  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    48   0.25150  1.0 1.0
   37    42    46    48  -1.17200 -1.0 2.0
   37    42    46    48   0.53050  1.0 3.0
   37    42   -46    50   0.01700  1.0 1.0
   37    42   -46    50  -0.23550 -1.0 2.0
   37    42   -46    50   0.21350  1.0 3.0
   38    37    42    46   0.32350  1.0 3.0
   39    37    42    46   0.32350  1.0 3.0
   42    46    48    49   0.00000  1.0 1.0
   42    46    48    51   0.00000  1.0 1.0
   42    46    48    55   0.00000  1.0 1.0
   42    46   -50    51   0.00000  1.0 1.0
   42    46    50    53   0.00000  1.0 1.0
   46    48    51    52  -0.11250  1.0 1.0
   46    48    51    52   0.11400 -1.0 2.0
   46    48    51    52  -0.28950  1.0 3.0
   46    48   -51    50   3.00000 -1.0 2.0
   46    48    55    56   0.00000  1.0 1.0
   46    48    55    59  -0.43950  1.0 1.0
   46    48    55    59  -0.08100 -1.0 2.0
   46    48    55    59   0.03350  1.0 3.0
   46    50   -53    33   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    57   0.00000  1.0 1.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46   -50    51   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   48    46   -50    51   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    51   -50    46   3.00000 -1.0 2.0
   48    51   -50    53   3.00000 -1.0 2.0
   48    55    59    60   3.04450 -1.0 2.0
   48    55    59    63   1.49850  1.0 1.0
   48    55    59    63   1.53950 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    50   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    59   0.00000  1.0 1.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    59  -0.42300  1.0 1.0
   51    48    55    59  -0.07000 -1.0 2.0
   51    48    55    59   0.04150  1.0 3.0
   51    50    53    33   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    57   0.00000  1.0 1.0
   52    51   -50    46   3.00000 -1.0 2.0
   52    51    50    53   3.00000 -1.0 2.0
   50    46   -48    49   0.15000  1.0 3.0
   50    46   -48    51   3.00000 -1.0 2.0
   50    46    48    55   2.20050  1.0 1.0
   50    46    48    55   0.63450 -1.0 2.0
   50    46    48    55  -0.91300  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    61   0.40000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    42   0.44750  1.0 1.0
   53    33   -37    42  -0.17800 -1.0 2.0
   53    33   -37    42   0.20200  1.0 3.0
   53    33    40    41   0.00000  1.0 1.0
   53    33    40    43   0.09850  1.0 1.0
   53    33    40    43   0.15250 -1.0 2.0
   53    33    40    43  -0.50650  1.0 3.0
   53    57    61    62   1.50000  1.0 1.0
   53    57    61    62   2.45000 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    61   0.00000  1.0 1.0
   58    57    61    62   2.45000 -1.0 2.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    50   0.00000  1.0 1.0
   55    59    63    64   1.50000 -1.0 2.0
   55    59    63    65   1.50000 -1.0 2.0
   56    55    59    60   2.45000 -1.0 2.0
   56    55    59    63   2.56700 -1.0 2.0
   59    63    64    66   0.30050 -1.0 2.0
   59    63    64    66   0.16600  1.0 3.0
   59    63    64    76   0.30050 -1.0 2.0
   59    63    64    76   0.16600  1.0 3.0
   59    63    65    68   6.00000 -1.0 2.0
   60    59    63    64   1.00000 -1.0 2.0
   60    59    63    65   1.00000 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    69   3.62500 -1.0 2.0
   63    64    76    73   3.62500 -1.0 2.0
   63    65    68    70   1.50000 -1.0 2.0
   64    63    65    68   6.00000 -1.0 2.0
   64    66   -69    73   3.62500 -1.0 2.0
   66    64   -76    73   2.40000 -1.0 2.0
   66    69   -73    76   3.62500 -1.0 2.0
   66    69    73    77   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73   -76    64   3.62500 -1.0 2.0
   69    73    77    78   0.47600 -1.0 2.0
   69    73    77    79   0.47600 -1.0 2.0
   76    64    66    67   3.62500 -1.0 2.0
   76    64   -66    69   3.62500 -1.0 2.0
   76    73    77    78   1.75000 -1.0 2.0
   76    73    77    79   1.75000 -1.0 2.0
   77    73    76    64   3.62500 -1.0 2.0
   65    63    64    66   1.02250 -1.0 2.0
   65    63    64    76   1.02250 -1.0 2.0
   65    68    70    71   0.37500  1.0 3.0
   65    68    70    72   0.37500  1.0 3.0
   65    68    70    74   0.37500  1.0 3.0
   68    70    74    75   0.30150 -1.0 2.0
   68    70    74    80   0.40000  1.0 3.0
   70    74    80    81   1.50000  1.0 1.0
   70    74    80    81   2.45000 -1.0 2.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    80   0.00000  1.0 1.0
   72    70    74    75   0.00000  1.0 1.0
   72    70    74    80   0.00000  1.0 1.0
   75    74    80    81   0.92200  1.0 1.0
   75    74    80    81   3.74100 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    53    50   0.21700  1.0 1.0
   40    33    53    50   0.68550 -1.0 2.0
   40    33    53    50  -0.27950  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    57  -0.98800  1.0 1.0
   40    33    53    57   0.48800 -1.0 2.0
   40    33    53    57   0.76800  1.0 3.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    45   7.00000 -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
   36    30    34    35  10.50000 -1.0 2.0
   48    50    51    52  10.50000 -1.0 2.0
   53    51    50    46   1.00000 -1.0 2.0
   53    61    57    58  10.50000 -1.0 2.0
   56    59    55    48   1.00000 -1.0 2.0
   55    63    59    60  10.50000 -1.0 2.0
   59    64    63    65  10.50000 -1.0 2.0
   66    76    64    63   4.00000 -1.0 2.0
   69    67    66    64   1.10000 -1.0 2.0
   76    77    73    69   4.00000 -1.0 2.0
   79    73    77    78   1.00000 -1.0 2.0
   70    80    74    75  10.50000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   44    45    43    40  15.00000 -1.0 2.0
END
