* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    154    255     463
    1     0 S   NP   _N1_     1    28.76553    93.02229   -20.29478
    2     1 S   H    _HN1     2     1.02791    86.25997   -61.91077
    3     1 S   H    _H1_     3     1.02880   106.37856    45.93499
    4     1 S   H    _H2_     4     1.02948    23.53525   141.82262
    5     1 S   CT   _CA1     5     1.50485   129.15596  -177.53804
    6     5 S   HC   _HA1     6     1.09693   104.69929    46.81506
    7     5 S   CO3  _C1_     7     1.54387   110.77330   -69.24603
    8     7 S   O2Z  _O11     8     1.26055   116.60441  -112.50619
    9     7 S   O2Z  _O12     9     1.26535   113.77762    66.14504
   10     5 S   CT   _CB1    10     1.53086   106.99913   162.68746
   11    10 S   HC   HB11    11     1.09828   109.67938   -45.30420
   12    10 S   HC   HB12    12     1.09799   110.32439    71.24630
   13    10 S   CT   _CG1    13     1.53089   112.47162  -166.14037
   14    13 S   HC   HG11    14     1.09453   110.66362   -56.04464
   15    13 S   HC   HG12    15     1.09621   110.21228    62.74900
   16    13 S   C    _CD1    16     1.51797   111.45872  -177.88548
   17    16 S   O    _OE1    17     1.22794   122.71130   -27.81588
   18    16 S   N    _N2_    18     1.38528   112.26145   153.69788
   19    18 S   H    _HN2    19     1.01566   119.17471     1.24710
   20    18 S   CT1  _CA2    20     1.46187   123.29239  -178.64824
   21    20 S   HC   _HA2    21     1.09738   109.32997   -18.75214
   22    20 S   C    _C2_    22     1.53430   108.08002  -134.40299
   23    22 S   O    _O2_    23     1.23011   122.33557  -144.34811
   24    20 S   CT   _CB2    32     1.53609   111.63112   103.60078
   25    24 S   HC   HB21    33     1.09353   109.48075    53.84034
   26    24 S   HC   HB22    34     1.09457   109.59987   172.34973
   27    22 S   N    _N3_    24     1.38522   113.26952    42.94961
   28    27 S   H    _HN3    25     1.01534   118.95590    -0.28871
   29    24 S   S    _SG2    35     1.83005   111.87240   -68.78233
   30    27 S   CT   _CA3    26     1.45441   123.26661   174.97465
   31    30 S   HC   HA31    27     1.09536   109.02677    28.23412
   32    30 S   HC   HA32    28     1.09488   107.17140   145.23684
   33    29 S   CT   _C20    36     1.87109   102.60647   163.33013
   34    33 S   OM   _O38    37     1.32427   106.49163   170.49378
   35    30 S   CO3  _C3_    29     1.52952   113.27793   -95.06632
   36    35 S   O2Z  _O31    30     1.26390   115.48928   -41.73984
   37    35 S   O2Z  _O32    31     1.26366   114.91487   139.17352
   38    33 S   CT   _C21    38     1.56196   111.04047   -70.31186
   39    38 S   HC   _H5_    39     1.09866   108.62657    60.74465
   40    33 S   CT   _C19    71     1.56710   110.89422    52.64363
   41    40 S   HC   _H4_    72     1.09394   109.95316   -54.16299
   42    38 S   CO4  _C22    40     1.53491   110.84632   173.34967
   43    42 S   O    _O36    41     1.23140   122.65231   131.37642
   44    40 S   NP   _N5_    73     1.49984   109.41196    60.60290
   45    44 S   H    _H17    74     1.02904   109.82102   -49.42915
   46    44 S   H    _H18    75     1.02627   113.56923  -169.95110
   47    44 S   H    _H19    76     1.02905   110.10575    67.36615
   48    38 S   C    _C23    79     1.53943   114.69316   -58.02819
   49    48 S   O    _O37    80     1.22868   123.86404   -78.72511
   50    42 S   CT   _C16    42     1.53145   116.05760   -53.22583
   51    48 S   N    _N4_    81     1.37685   113.67344   101.98724
   52    51 S   H    _H15    82     1.01289   122.99019    -1.76536
   53    51 S   H    _H16    83     1.01795   120.47308   179.38198
   54    50 S   CO4  _C15    43     1.52246   112.32620   -71.47043
   55    54 S   O    _O35    44     1.22998   120.30563   -31.66918
   56    50 S   OH   _O39    77     1.42596   107.98463   173.33594
   57    56 S   HO   _H20    78     0.97421   107.71258    52.01092
   58    54 S   CA   _C7_    45     1.50066   119.57981   150.11796
   59    58 S   CA   _C6_    46     1.39806   119.76634     3.66094
   60    59 S   CA   _C5_    47     1.42457   119.39629   176.32209
   61    59 S   CT   _C18    66     1.51501   119.92755    -1.78674
   62    61 S   HC   _H13    67     1.09782   107.85026    92.88879
   63    61 S   HC   _H14    68     1.09395   110.87910  -150.91071
   64    60 S   CA   _C10    48     1.45043   121.64277    10.26322
   65    60 S   CT   _C4_    62     1.51715   117.35240  -167.74129
   66    65 S   HC   _H6_    63     1.09343   110.72955   -96.56554
   67    65 S   HC   _H7_    64     1.09443   112.34742    24.63939
   68    65 S   HC   _H8_    65     1.09371   110.84790   139.20522
   69    50 S   CT   _C17    69     1.52896   110.19394    54.46281
   70    69 S   HC   _H3_    70     1.10012   108.44017    66.10534
   71    64 S   CA   _C9_    49     1.42914   117.20117   -10.86760
   72    71 S   CA   _C14    50     1.42967   118.63718  -175.21799
   73    58 S   CA   _C8_    59     1.40546   121.02897  -176.56402
   74    72 S   CA   _C13    51     1.39061   123.00277    -1.95465
   75    74 S   HA   _H10    52     1.08597   121.43595  -179.78878
   76    72 S   OH   _O33    57     1.37602   120.42949   178.14670
   77    76 S   HO   _H11    58     0.97174   109.65884   179.46918
   78    73 S   OH   _O34    60     1.37801   119.96834    -0.66352
   79    78 S   HO   _H12    61     0.97191   110.38598    -4.42133
   80    74 S   CA   _C12    53     1.37653   119.03803    -1.58523
   81    80 S   HA   _H9_    54     1.08777   118.81635  -177.07557
   82    64 S   CA   _C11    55     1.44380   126.63868   168.91095
   83    82 S   Cl   Cl1_    56     1.74019   124.17043    -9.99611
  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  10   5   4   3
  18   8   2   1   1  15   7  16   8  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  13  15  15   7   3   2  14
   5   2   1   1   1   1  11   9   5   7   4   2   1   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    69    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    61    69    70    40    41    44    45    46    47    48    49    51  
   38    39    42    69    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    69    40    41    44    56    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    56    48    42    50    54    59    61    62    63    69    70  
   44    45    46    47    50    61    69    70  
   43    50    54    55    58    61    69    70    56    57    48    49    51  
   50    54    69    56    48  
   45    46    47    50    61    69    70  
   46    47    69  
   47    69  
   69  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    73    61    62    63    69    70    56    57  
   52    53  
   53  
    0  
   55    58    59    60    71    73    78    61    69    70    56    57  
   58    59    73    69    56  
   57    58    61    69    70  
   69  
   59    60    64    71    72    73    78    79    65    61    62    63    69  
   60    64    71    82    73    78    65    66    67    68    61    62    63    69    70  
   64    71    72    80    82    83    73    65    66    67    68    61    62    63    69  
   62    63    69    70    64    65    73  
   63    69    70  
   69    70  
   71    72    74    80    81    82    83    76    73    78    65    66    67    68  
   66    67    68    71    82  
   67    68  
   68  
    0  
   70  
    0  
   72    74    75    80    82    83    76    77    73    78    79  
   74    75    80    81    82    76    77    73    78  
   78    79    74    76    82  
   75    80    81    82    83    76    77  
   80    81    82    76  
   77    80  
    0  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    48   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    54   317.000  1.522
   50    69   268.000  1.529
   50    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    73   469.000  1.400
   59    60   469.000  1.400
   59    61   317.000  1.510
   60    64   469.000  1.400
   60    65   317.000  1.510
   64    71   469.000  1.400
   64    82   469.000  1.400
   71    72   469.000  1.400
   71    73   469.000  1.400
   72    74   469.000  1.400
   72    76   450.000  1.364
   74    75   367.000  1.080
   74    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   300.000  1.725
   76    77   553.000  0.945
   73    78   450.000  1.364
   78    79   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    48    63.00000  111.10000
   33    40    69    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    50    70.00000  116.00000
   38    48    49    80.00000  120.40000
   38    48    51    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    50    54    75.00000  107.99600
   42    50    69    63.00000  111.10000
   42    50    56    90.00000  109.61100
   50    42    43    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    58    65.00000  115.47100
   50    69    61    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    40    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    73    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    60    63.00000  120.00000
   58    59    61    70.00000  120.00000
   58    73    71    63.00000  120.00000
   58    73    78    70.00000  120.00000
   59    60    64    63.00000  120.00000
   59    60    65    70.00000  120.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    69    70.00000  112.17500
   60    64    71    63.00000  120.00000
   60    64    82    63.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    71    72    63.00000  120.00000
   64    71    73    63.00000  120.00000
   64    82    80    63.00000  120.00000
   64    82    83    75.00000  120.00000
   71    72    74    63.00000  120.00000
   71    72    76    70.00000  120.00000
   71    73    78    70.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    80    63.00000  120.00000
   72    76    77    35.00000  113.00000
   74    80    81    35.00000  120.00000
   74    80    82    63.00000  120.00000
   80    74    75    35.00000  120.00000
   80    82    83    75.00000  120.00000
   82    64    71    63.00000  120.00000
   82    80    81    35.00000  120.00000
   76    72    74    70.00000  120.00000
   73    58    59    63.00000  120.00000
   73    71    72    63.00000  120.00000
   73    78    79    35.00000  113.00000
   65    60    64    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   61    59    60    70.00000  120.00000
   61    69    70    37.50000  110.70000
   61    69    40    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    50    54    63.00000  111.10000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    40    41    37.50000  110.70000
   69    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    69    70    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   44    40    41    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  109.61100
   56    50    69    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  107.85200
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.60050  1.0 1.0
   33    38    42    50   0.05600 -1.0 2.0
   33    38    42    50   0.26150  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    51   1.39750  1.0 1.0
   33    38    48    51  -0.07950 -1.0 2.0
   33    38    48    51  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    46   0.17350  1.0 3.0
   33    40    44    47   0.17350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    48  -0.09450  1.0 1.0
   34    33    38    48  -1.12950 -1.0 2.0
   34    33    38    48   0.54000  1.0 3.0
   34    33    40    69   0.62750  1.0 1.0
   34    33    40    69  -0.30950 -1.0 2.0
   34    33    40    69   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    69   0.56750  1.0 1.0
   38    33    40    69  -0.07550 -1.0 2.0
   38    33    40    69   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    50    54   0.65300  1.0 1.0
   38    42    50    54  -0.03850 -1.0 2.0
   38    42    50    54   0.33900  1.0 3.0
   38    42   -50    69   0.60050  1.0 1.0
   38    42   -50    69   0.05600 -1.0 2.0
   38    42   -50    69   0.26150  1.0 3.0
   38    42    50    56   0.55300  1.0 1.0
   38    42    50    56   1.25850 -1.0 2.0
   38    42    50    56  -0.23600  1.0 3.0
   38    48    51    52   2.45000 -1.0 2.0
   38    48    51    53   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    51   0.00000  1.0 1.0
   42    50    54    55   0.30150 -1.0 2.0
   42    50    54    58   0.65300  1.0 1.0
   42    50    54    58  -0.03850 -1.0 2.0
   42    50    54    58   0.33900  1.0 3.0
   42    50    69    61  -0.95700  1.0 1.0
   42    50    69    61  -0.18200 -1.0 2.0
   42    50    69    61   0.29450  1.0 3.0
   42    50    69    70  -0.11250  1.0 3.0
   42    50    69    40  -0.95700  1.0 1.0
   42    50    69    40  -0.18200 -1.0 2.0
   42    50    69    40   0.29450  1.0 3.0
   42    50    56    57   0.91850  1.0 1.0
   42    50    56    57   0.57950  1.0 3.0
   43    42    50    54   0.30150 -1.0 2.0
   43    42    50    69   0.30150 -1.0 2.0
   43    42    50    56   0.30150 -1.0 2.0
   50    54    58    59   2.26350  1.0 1.0
   50    54    58    59   0.76750 -1.0 2.0
   50    54    58    59   0.22500  1.0 3.0
   50    54    58    73   2.26350  1.0 1.0
   50    54    58    73   0.76750 -1.0 2.0
   50    54    58    73   0.22500  1.0 3.0
   50    69   -40    33   0.56750  1.0 1.0
   50    69   -40    33  -0.07550 -1.0 2.0
   50    69   -40    33   0.20000  1.0 3.0
   50    69    40    41   0.15000  1.0 3.0
   50    69    40    44   1.36600  1.0 1.0
   50    69    40    44  -0.11450 -1.0 2.0
   50    69    40    44   0.24250  1.0 3.0
   54    50    69    61  -0.95700  1.0 1.0
   54    50    69    61  -0.18200 -1.0 2.0
   54    50    69    61   0.29450  1.0 3.0
   54    50    69    70  -0.11250  1.0 3.0
   54    50    69    40  -0.95700  1.0 1.0
   54    50    69    40  -0.18200 -1.0 2.0
   54    50    69    40   0.29450  1.0 3.0
   54    50    56    57   0.91850  1.0 1.0
   54    50    56    57   0.57950  1.0 3.0
   54    58    59    60   3.62500 -1.0 2.0
   54    58   -59    61   3.62500 -1.0 2.0
   54    58    73    71   3.62500 -1.0 2.0
   54    58    73    78   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    73   1.05000 -1.0 2.0
   58    59    60    64   3.62500 -1.0 2.0
   58    59    60    65   3.62500 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.00000  1.0 1.0
   58    59    61    69   0.04150 -1.0 2.0
   58    73    78    79   0.84100 -1.0 2.0
   59    58    73    71   3.62500 -1.0 2.0
   59    58    73    78   3.62500 -1.0 2.0
   59    60   -64    71   3.62500 -1.0 2.0
   59    60    64    82   3.62500 -1.0 2.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    68   0.00000  1.0 1.0
   59    61   -69    50  -0.03700  1.0 1.0
   59    61   -69    50   0.37200 -1.0 2.0
   59    61   -69    50  -0.47300  1.0 3.0
   59    61    69    70   0.43200  1.0 3.0
   59    61    69    40  -0.03700  1.0 1.0
   59    61    69    40   0.37200 -1.0 2.0
   59    61    69    40  -0.47300  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    69   0.04150 -1.0 2.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    73   3.62500 -1.0 2.0
   60    64    82    80   3.62500 -1.0 2.0
   60    64    82    83   3.62500 -1.0 2.0
   64    60    65    66   0.00000  1.0 1.0
   64    60    65    67   0.00000  1.0 1.0
   64    60    65    68   0.00000  1.0 1.0
   64    71    72    74   3.62500 -1.0 2.0
   64    71    72    76   3.62500 -1.0 2.0
   64    71   -73    58   3.62500 -1.0 2.0
   64    71    73    78   3.62500 -1.0 2.0
   71    64    82    80   3.62500 -1.0 2.0
   71    64    82    83   3.62500 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72   -74    80   3.62500 -1.0 2.0
   71    72    76    77   0.84100 -1.0 2.0
   71    73    78    79   0.84100 -1.0 2.0
   72    71    73    58   3.62500 -1.0 2.0
   72    71    73    78   3.62500 -1.0 2.0
   72    74    80    81   3.62500 -1.0 2.0
   72    74    80    82   3.62500 -1.0 2.0
   74    72    76    77   0.84100 -1.0 2.0
   74    80   -82    64   3.62500 -1.0 2.0
   74    80    82    83   3.62500 -1.0 2.0
   75    74    80    81   3.62500 -1.0 2.0
   75    74    80    82   3.62500 -1.0 2.0
   81    80    82    64   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    64   -71    72   3.62500 -1.0 2.0
   82    64    71    73   3.62500 -1.0 2.0
   76    72    74    75   3.62500 -1.0 2.0
   76    72    74    80   3.62500 -1.0 2.0
   73    58   -59    60   3.62500 -1.0 2.0
   73    58    59    61   3.62500 -1.0 2.0
   73    71    72    74   3.62500 -1.0 2.0
   73    71    72    76   3.62500 -1.0 2.0
   65    60    64    71   3.62500 -1.0 2.0
   65    60    64    82   3.62500 -1.0 2.0
   61    59    60    64   3.62500 -1.0 2.0
   61    59    60    65   3.62500 -1.0 2.0
   61    69    40    33   0.56750  1.0 1.0
   61    69    40    33  -0.07550 -1.0 2.0
   61    69    40    33   0.20000  1.0 3.0
   61    69    40    41   0.15000  1.0 3.0
   61    69    40    44   1.36600  1.0 1.0
   61    69    40    44  -0.11450 -1.0 2.0
   61    69    40    44   0.24250  1.0 3.0
   62    61    69    50   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    40   0.15000  1.0 3.0
   63    61    69    50   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    40   0.15000  1.0 3.0
   69    50    54    55   0.30150 -1.0 2.0
   69    50   -54    58   0.05850 -1.0 2.0
   69    50   -54    58   0.17250  1.0 3.0
   69    50    56    57  -0.11600  1.0 1.0
   69    50    56    57  -0.09450 -1.0 2.0
   69    50    56    57   0.21250  1.0 3.0
   69    40    44    45   0.17350  1.0 3.0
   69    40    44    46   0.17350  1.0 3.0
   69    40    44    47   0.17350  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   70    69    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    46   0.13050  1.0 3.0
   41    40    44    47   0.13050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    58   0.65300  1.0 1.0
   56    50    54    58  -0.03850 -1.0 2.0
   56    50    54    58   0.33900  1.0 3.0
   56    50    69    61   0.86500  1.0 1.0
   56    50    69    61  -0.17500 -1.0 2.0
   56    50    69    61   0.20800  1.0 3.0
   56    50    69    70   0.23400  1.0 3.0
   56    50    69    40   0.86500  1.0 1.0
   56    50    69    40  -0.17500 -1.0 2.0
   56    50    69    40   0.20800  1.0 3.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.65300  1.0 1.0
   48    38    42    50  -0.03850 -1.0 2.0
   48    38    42    50   0.33900  1.0 3.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    50    42    43  10.50000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   59    73    58    54   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   64    65    60    59   4.00000 -1.0 2.0
   71    82    64    60   4.00000 -1.0 2.0
   72    73    71    64   4.00000 -1.0 2.0
   74    76    72    71   4.00000 -1.0 2.0
   80    75    74    72   1.10000 -1.0 2.0
   82    81    80    74   1.10000 -1.0 2.0
   80    83    82    64   4.00000 -1.0 2.0
   71    78    73    58   4.00000 -1.0 2.0
   38    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
