* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    148    234     438
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.80605    98.11764   -78.20712
   34    33 S   HC   _H12    37     1.09381   107.53381   -40.03173
   35    33 S   HC   _H13    38     1.09531   107.19900    76.85081
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C13    39     1.53310   111.25162  -161.43904
   40    39 S   HC   _H5_    40     1.09313   109.67596   -38.57250
   41    39 S   CT   _C12    41     1.54191   111.33443  -160.48673
   42    41 S   HC   _H4_    42     1.09614   109.71302  -159.94752
   43    39 S   OH   _O33    83     1.42826   108.22331    78.90535
   44    43 S   HO   _H14    84     0.96891   106.38015   -60.05011
   45    41 S   CT   _C11    43     1.53993   115.20326    75.91211
   46    45 S   HC   _H3_    44     1.09738   109.58018   -58.50145
   47    41 S   OH   _O34    81     1.43513   108.63920   -44.96877
   48    47 S   HO   _H15    82     0.96672   105.99123  -174.61082
   49    45 S   CT   _C10    45     1.53849   115.91962    64.23393
   50    49 S   HC   _H10    46     1.09617   109.56185    72.27618
   51    49 S   HC   _H11    47     1.09862   108.94178   -42.83753
   52    45 S   OH   _O35    79     1.43164   108.92277  -173.08551
   53    52 S   HO   _H16    80     0.96779   106.20223   172.96723
   54    49 S   CA   _C9_    48     1.51334   115.57477  -163.44351
   55    54 S   CA   _C4_    49     1.39438   120.05279    90.03424
   56    55 S   HA   _H6_    50     1.08710   120.46648     0.03956
   57    55 S   CA   _C5_    51     1.39431   120.02915   179.96044
   58    57 S   HA   _H7_    52     1.08653   119.41002  -179.94405
   59    57 S   CA   _C6_    53     1.39540   120.00096     0.02798
   60    59 S   CA   _C7_    54     1.39485   119.94128    -0.01978
   61    60 S   HA   _H8_    55     1.08732   120.57320  -179.93147
   62    59 S   NE   _N4_    58     1.40986   120.03130   179.91153
   63    62 S   H    _H17    59     1.00259   116.97624  -179.93147
   64    54 S   CA   _C8_    56     1.39503   119.94640   -90.02188
   65    64 S   HA   _H9_    57     1.08706   120.52476    -0.05595
   66    62 S   CT   _C15    60     1.43017   122.89067     0.01978
   67    66 S   HC   _H18    61     1.09444   107.98492    59.99143
   68    66 S   HC   _H19    62     1.09472   107.78177   -55.64015
   69    66 S   CA   _C16    63     1.50212   111.97251  -177.97841
   70    69 S   CA   _C17    64     1.37585   120.52349   -75.45734
   71    70 S   HA   _H20    65     1.08441   122.42576    -0.07133
   72    70 S   NB   _N5_    66     1.35014   122.16328   179.91153
   73    72 S   CA   _C18    67     1.35160   117.12449     0.05935
   74    73 S   CA   _C19    68     1.38960   119.64608    -0.07662
   75    74 S   C    _C20    69     1.46060   121.02415  -179.98022
   76    75 S   O    _O36    70     1.21353   128.34438  -179.92338
   77    69 S   NB   _N6_    78     1.34468   117.59759   104.47966
   78    75 S   N    _N7_    71     1.53643   113.94972    -0.02798
   79    78 S   H    _H21    72     1.01871   121.15523   179.98022
   80    78 S   CDX  _C21    73     1.56473   118.60141     0.04846
   81    73 S   NI   _N8_    74     1.41156   114.67500   179.96044
   82    80 S   NE   _N9_    75     1.36774   115.06293  -179.98022
   83    82 S   H    _H22    76     0.99475   118.40279  -180.00000
   84    82 S   H    _H23    77     0.99521   118.44557    -0.04423
  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  11   6  13   7   3   1  11   7   3   1
  11   5   4   2   1   9   8   4   8   3  10   6   3   8   4   1
   1   8   4   3   7   6   3   6   8   7   7   4   2   6   3   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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    52    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    54    52    53    47    48    43    44  
   45    46    49    52    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    55    64    52    53    47    48  
   49    50    51    54    52    53    47  
   48    49    52  
    0  
   50    51    54    55    56    57    60    64    65    52    53  
   51    54    55    64    52  
   54    55    64    52  
   53    54  
    0  
   55    56    57    58    59    60    61    64    65  
   56    57    58    59    60    64    65    62  
   57    58    59    64  
   58    59    60    61    64    62    63    66  
   59    60    62  
   60    61    64    65    62    63    66    67    68    69  
   61    64    65    62    63    66  
   64    65    62  
   63    66    67    68    69    70    77    64  
   66    67    68    69  
   65  
    0  
   67    68    69    70    71    72    74    77  
   68    69    70    77  
   69    70    77  
   70    71    72    73    74    75    77  
   71    72    73    74    81    77  
   72    73    77  
   73    74    75    80    81    77  
   74    75    76    78    80    81    82    77  
   75    76    78    79    80    81    77  
   76    78    79    80    81    82    77  
   78    79    80    77  
   78    81  
   79    80    81    82    83    84  
   80    81    82  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.195000   2.4950   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.119000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.192000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.042000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700  -0.468000   1.8000   1.6000   0.001000000  -0.511443539
   73   3.5500   0.0700   0.264800   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.119000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   77   3.2500   0.1700  -0.468000   1.8000   1.6000   0.001000000  -0.511443539
   78   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   79   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   80   3.7500   0.1050   0.679600   2.1120   1.8750   0.001000000  -0.126889456
   81   3.2800   0.1700  -0.522900   1.9250   1.7000   0.054801302  -2.445846770
   82   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   83   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.360000   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    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   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    55   469.000  1.400
   54    64   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   469.000  1.400
   59    62   481.000  1.340
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   367.000  1.080
   62    63   434.000  1.010
   62    66   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.510
   69    70   469.000  1.400
   69    77   483.000  1.339
   70    71   367.000  1.080
   70    72   483.000  1.339
   72    73   483.000  1.339
   73    74   469.000  1.400
   73    81   400.000  1.385
   74    75   400.000  1.490
   74    77   483.000  1.339
   75    76   570.000  1.229
   75    78   490.000  1.335
   78    79   434.000  1.010
   78    80   400.000  1.380
   80    81   650.000  1.285
   80    82   445.000  1.380
   82    83   434.000  1.010
   82    84   434.000  1.010
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    52    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    54    70.00000  112.17500
   45    52    53    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    54    55    70.00000  120.00000
   49    54    64    70.00000  120.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    57    63.00000  120.00000
   54    64    60    63.00000  120.00000
   54    64    65    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    63.00000  120.00000
   57    59    62    70.00000  120.10000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    64    63.00000  120.00000
   59    62    63    35.00000  113.50000
   59    62    66    50.00000  120.00000
   60    64    65    35.00000  120.00000
   64    54    55    63.00000  120.00000
   64    60    61    35.00000  120.00000
   62    59    60    70.00000  120.10000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    75.00000  113.31400
   66    62    63    35.00000  112.50000
   66    69    70    70.00000  120.00000
   66    69    77    75.00000  115.74700
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    70    71    35.00000  120.00000
   69    70    72    70.00000  124.00000
   69    77    74    70.00000  117.00000
   70    72    73    70.00000  117.00000
   72    70    71    35.00000  116.00000
   72    73    74    70.00000  124.00000
   72    73    81    75.00000  118.65000
   73    74    75    85.00000  120.00000
   73    74    77    70.00000  124.00000
   73    81    80    70.00000  111.79000
   74    75    76    80.00000  120.40000
   74    75    78    75.00000  113.92100
   75    78    79    35.00000  119.80000
   75    78    80    70.00000  120.51600
   78    75    76    80.00000  122.90000
   78    80    81    80.00000  119.04400
   78    80    82    85.00000  111.44000
   80    78    79    45.00000  120.05200
   80    82    83    35.00000  119.50000
   80    82    84    35.00000  119.50000
   81    73    74    70.00000  120.44500
   82    80    81    75.00000  124.36500
   84    82    83    35.00000  109.00000
   77    69    70    70.00000  124.00000
   77    74    75    75.00000  117.56100
   52    45    46    35.00000  109.50000
   52    45    49    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    52   0.86500  1.0 1.0
   39    41    45    52  -0.17500 -1.0 2.0
   39    41    45    52   0.20800  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    54  -0.03700  1.0 1.0
   41    45    49    54   0.37200 -1.0 2.0
   41    45    49    54  -0.47300  1.0 3.0
   41    45    52    53  -0.11600  1.0 1.0
   41    45    52    53  -0.09450 -1.0 2.0
   41    45    52    53   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    52   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    54    55   0.04150 -1.0 2.0
   45    49    54    64   0.04150 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.43200  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    54    55    56   3.62500 -1.0 2.0
   49    54    55    57   3.62500 -1.0 2.0
   49    54    64    60   3.62500 -1.0 2.0
   49    54    64    65   3.62500 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    64   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    64   0.00000  1.0 1.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    59   3.62500 -1.0 2.0
   55    54    64    60   3.62500 -1.0 2.0
   55    54    64    65   3.62500 -1.0 2.0
   55    57   -59    60   3.62500 -1.0 2.0
   55    57    59    62   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59    60    64   3.62500 -1.0 2.0
   57    59    62    63   1.00000 -1.0 2.0
   57    59    62    66  -1.00000  1.0 1.0
   57    59    62    66   1.25000 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   59    60   -64    54   3.62500 -1.0 2.0
   59    60    64    65   3.62500 -1.0 2.0
   59    62    66    67   0.00000  1.0 1.0
   59    62    66    68   0.00000  1.0 1.0
   59    62    66    69  -0.82250  1.0 1.0
   59    62    66    69   0.55550 -1.0 2.0
   59    62    66    69   0.36950  1.0 3.0
   60    59    62    63   1.00000 -1.0 2.0
   60    59    62    66  -1.00000  1.0 1.0
   60    59    62    66   1.25000 -1.0 2.0
   61    60    64    54   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   64    54    55    56   3.62500 -1.0 2.0
   64    54   -55    57   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    64   3.62500 -1.0 2.0
   62    66    69    70  -0.06000  1.0 1.0
   62    66    69    70   0.30500 -1.0 2.0
   62    66    69    70   0.09200  1.0 3.0
   62    66    69    77   0.04300 -1.0 2.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    69   0.00000  1.0 1.0
   66    69    70    71   3.62500 -1.0 2.0
   66    69    70    72   3.62500 -1.0 2.0
   66    69    77    74   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    77   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    77   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   70    69    77    74   3.62500 -1.0 2.0
   70    72   -73    74   3.62500 -1.0 2.0
   70    72    73    81   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    73    74    75   3.62500 -1.0 2.0
   72    73    74    77   3.62500 -1.0 2.0
   72    73    81    80   1.25000 -1.0 2.0
   73    74    75    76   1.05000 -1.0 2.0
   73    74    75    78   0.75700  1.0 1.0
   73    74    75    78   0.34650 -1.0 2.0
   73    74    75    78   0.33000  1.0 3.0
   73    74    75    78  -0.28100 -1.0 4.0
   73    74   -77    69   3.62500 -1.0 2.0
   74    73    81    80   1.25000 -1.0 2.0
   74    75    78    79   2.56700 -1.0 2.0
   74    75   -78    80   2.45000 -1.0 2.0
   75    74    77    69   3.62500 -1.0 2.0
   75    78    80    81  -0.56400  1.0 1.0
   75    78    80    81   0.77500 -1.0 2.0
   75    78    80    81   0.18700  1.0 3.0
   75    78    80    82  -0.56400  1.0 1.0
   75    78    80    82   0.77500 -1.0 2.0
   75    78    80    82   0.18700  1.0 3.0
   76    75    78    79   2.45000 -1.0 2.0
   76    75    78    80   2.67200 -1.0 2.0
   78    80   -81    73   6.00000 -1.0 2.0
   78    80    82    83   1.00000 -1.0 2.0
   78    80    82    84   1.00000 -1.0 2.0
   79    78    80    81   1.00000 -1.0 2.0
   79    78    80    82   1.00000 -1.0 2.0
   81    73   -74    75   3.62500 -1.0 2.0
   81    73    74    77   3.62500 -1.0 2.0
   81    80    82    83   1.50000 -1.0 2.0
   81    80    82    84   1.50000 -1.0 2.0
   82    80    81    73   6.00000 -1.0 2.0
   77    69    70    71   3.62500 -1.0 2.0
   77    69   -70    72   3.62500 -1.0 2.0
   77    74    75    76   1.05000 -1.0 2.0
   77    74    75    78   1.61600  1.0 1.0
   77    74    75    78  -0.04750 -1.0 2.0
   77    74    75    78   0.11700  1.0 3.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    54   1.13150  1.0 1.0
   52    45    49    54  -1.01400 -1.0 2.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    52   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   55    64    54    49   4.00000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   60    62    59    57   4.00000 -1.0 2.0
   64    61    60    59   1.10000 -1.0 2.0
   60    65    64    54   1.10000 -1.0 2.0
   63    59    62    66   1.00000 -1.0 2.0
   70    77    69    66   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    81    73    72   4.00000 -1.0 2.0
   75    77    74    73   4.00000 -1.0 2.0
   74    78    75    76  10.50000 -1.0 2.0
   79    75    78    80   1.00000 -1.0 2.0
   78    82    80    81  10.50000 -1.0 2.0
   84    80    82    83   1.00000 -1.0 2.0
END
