* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    152    248     447
    1     0 S   NP   _N1_     1    29.23055    94.65045   -24.32510
    2     1 S   H    _HN1     2     1.02785   110.65439   -97.24347
    3     1 S   H    _H1_     3     1.02949    81.51984     9.26599
    4     1 S   H    _H2_     4     1.02830    26.49474   173.96863
    5     1 S   CT   _CA1     5     1.50103   128.19422   118.63827
    6     5 S   HC   _HA1     6     1.09571   105.21268    82.34617
    7     5 S   CO3  _C1_     7     1.53789   112.42088   -37.93644
    8     7 S   O2Z  _O11     8     1.26373   115.00168   -43.61652
    9     7 S   O2Z  _O12     9     1.26236   114.94288   135.53500
   10     5 S   CT   _CB1    10     1.53084   107.44100  -159.64884
   11    10 S   HC   HB11    11     1.09832   109.41795   -49.63469
   12    10 S   HC   HB12    12     1.09814   110.44262    66.98327
   13    10 S   CT   _CG1    13     1.52997   112.57730  -170.59663
   14    13 S   HC   HG11    14     1.09581   110.63502   -64.88412
   15    13 S   HC   HG12    15     1.09667   109.79739    54.35364
   16    13 S   C    _CD1    16     1.51786   112.20673   174.85045
   17    16 S   O    _OE1    17     1.22744   123.26663     6.90646
   18    16 S   N    _N2_    18     1.38661   111.69257  -173.36700
   19    18 S   H    _HN2    19     1.01590   119.00524     1.51633
   20    18 S   CT1  _CA2    20     1.46084   123.32876   177.87661
   21    20 S   HC   _HA2    21     1.09591   109.29829     0.39565
   22    20 S   C    _C2_    22     1.53531   108.87211  -114.65930
   23    22 S   O    _O2_    23     1.23059   122.20334  -149.65173
   24    20 S   CT   _CB2    32     1.53310   111.75692   122.78348
   25    24 S   HC   HB21    33     1.09651   109.69804    62.36702
   26    24 S   HC   HB22    34     1.09572   110.85893   179.74131
   27    22 S   N    _N3_    24     1.38309   113.72007    37.90227
   28    27 S   H    _HN3    25     1.01593   119.56881    -3.61070
   29    24 S   S    _SG2    35     1.82895   114.64500   -57.57304
   30    27 S   CT   _CA3    26     1.45285   123.21972   176.99717
   31    30 S   HC   HA31    27     1.09549   107.54281   -63.82758
   32    30 S   HC   HA32    28     1.09556   107.95091    52.61042
   33    29 S   CT   _C17    36     1.82654    99.87791   -64.60522
   34    33 S   HC   _H3_    37     1.09448   108.33081   -50.15093
   35    33 S   HC   _H4_    38     1.09212   107.36472    67.40705
   36    30 S   CO3  _C3_    29     1.52958   114.06457   174.59017
   37    36 S   O2Z  _O31    30     1.26378   116.05272    -0.31216
   38    36 S   O2Z  _O32    31     1.26425   114.41751   179.73980
   39    33 S   CT   _C6_    39     1.52884   110.99305  -172.61297
   40    39 S   HC   _H25    40     1.09645   111.65943   -46.87095
   41    39 S   CO4  _C4_    41     1.52562   112.07577    76.51648
   42    41 S   O    _O16    42     1.22156   125.72185   -76.80877
   43    41 S   OS   _O17    43     1.37762   110.45995   103.37624
   44    43 S   CT   _C10    44     1.42075   107.83142    -8.16700
   45    44 S   HC   _H29    45     1.09837   108.12765   -86.12620
   46    39 S   CT   _C7_    46     1.52482   115.16165  -171.13058
   47    46 S   HC   _H26    47     1.10117   105.83480   162.38982
   48    46 S   CT   _C5_    48     1.53078   121.24225    39.15253
   49    48 S   HC   _H23    49     1.09791   109.35079   -60.01845
   50    48 S   HC   _H24    50     1.09381   110.79819    56.79061
   51    48 S   CT   _C9_    51     1.55985   110.88109  -178.69299
   52    51 S   HC   _H28    52     1.09896   107.81413   166.92582
   53    51 S   C3T  _C13    53     1.51403   107.55866    49.87256
   54    51 S   CT   _C18    69     1.54667   114.42003   -73.32904
   55    54 S   HC   _H40    70     1.09481   111.13499    70.50383
   56    44 S   CT   _C8_    54     1.52189   115.42545   150.07782
   57    56 S   HC   _H27    55     1.09839   109.67382   -55.37440
   58    54 S   CT   _C16    71     1.52464   113.74712   -53.28035
   59    58 S   HC   _H35    72     1.09542   110.90059   -53.25783
   60    58 S   HC   _H36    73     1.09573   110.54228  -171.28089
   61    58 S   HC   _H37    74     1.09325   111.88287    68.58827
   62    54 S   OH   _O20    75     1.43123   107.86660  -172.50061
   63    62 S   HO   _H42    76     0.97254   107.63936  -176.33644
   64    56 S   CT   _C14    56     1.55501   118.39206    68.63871
   65    64 S   CT   _C12    57     1.56879   103.77501   149.19332
   66    65 S   Cl   CL22    58     1.78425   113.67617    87.56067
   67    65 S   HC   _H31    59     1.09451   112.11460  -149.15268
   68    64 S   CT   _C15    63     1.52732   112.51850   -84.88996
   69    68 S   HC   _H32    64     1.09588   110.62621  -173.81407
   70    68 S   HC   _H33    65     1.09584   110.68851    68.62565
   71    68 S   HC   _H34    66     1.09399   112.65389   -52.13877
   72    64 S   OH   _O19    67     1.43420   109.80776    33.63255
   73    72 S   HO   _H41    68     0.97262   108.02600   177.49360
   74    53 S   C3T  _C11    60     1.48810   127.94727   155.46174
   75    74 S   HC   _H30    61     1.07653   122.95524    11.97594
   76    53 S   O3T  _O18    62     1.44444   112.28445    88.95543
  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
  11   5   4   2   1   1  13   7   8   3   9  16   7  11   5  12
   5   4  17   8  15  10   6  14   6   5   3   2   1   1   1  12
  11   6   5   6   3   2   1   2   1   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    48  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    50    51    56  
   41    42    43    44    46    47    48  
   42    43    44    45    46    47    48    56  
   43    44    46  
   44    45    46    47    48    53    56    57    64  
   45    46    47    48    49    50    51    53    56    57    64    65    74    76    68    72  
   46    47    48    53    56    57    64  
   47    48    49    50    51    52    53    56    57    64    54  
   48    49    50    51    56  
   49    50    51    52    53    56    74    76    54    55    58    62  
   50    51    52    53    54  
   51    52    53    54  
   52    53    56    57    64    65    74    75    76    54    55    58    59    60    61    62    63  
   53    56    74    76    54    55    58    62  
   56    57    64    65    66    67    74    75    76    68    72    54    55    58    62  
   55    58    59    60    61    62    63    56    74    76  
   58    59    60    61    62    63  
   57    64    65    66    67    74    75    76    68    69    70    71    72    73  
   64    65    74    76    68    72  
   59    60    61    62    63  
   60    61    62  
   61    62  
   62  
   63  
    0  
   65    66    67    74    75    76    68    69    70    71    72    73  
   66    67    74    75    76    68    69    70    71    72    73  
   67    74    75    76    68    72  
   74    75    76    68    72  
   69    70    71    72    73    74  
   70    71    72  
   71    72  
   72  
   73    74  
    0  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   67   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    56   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   275.000  1.510
   51    54   268.000  1.529
   53    56   275.000  1.510
   53    74   260.000  1.509
   53    76   335.000  1.432
   56    57   340.000  1.090
   56    64   268.000  1.529
   64    65   268.000  1.529
   64    68   268.000  1.529
   64    72   320.000  1.410
   65    66   245.000  1.781
   65    67   340.000  1.090
   65    74   275.000  1.510
   74    75   340.000  1.088
   74    76   335.000  1.432
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    62   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   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    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    48    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    56    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    56    53    70.00000  112.37300
   44    56    57    37.50000  110.70000
   44    56    64    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    70.00000  112.37300
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    53    74    60.00000  120.94000
   51    53    76    80.00000  116.47100
   51    54    55    37.50000  110.70000
   51    54    58    58.35000  112.70000
   51    54    62    50.00000  109.50000
   53    51    52    45.00000  109.38400
   53    56    57    45.00000  109.38400
   53    56    64    70.00000  112.37300
   53    74    65    60.00000  120.94000
   53    74    75    37.50000  117.20000
   53    74    76    15.00000   60.43100
   53    76    74    15.00000   59.14900
   56    44    45    37.50000  110.70000
   56    44    46    58.35000  112.70000
   56    64    65    58.35000  112.70000
   56    64    68    58.35000  112.70000
   56    64    72    50.00000  109.50000
   64    56    57    37.50000  110.70000
   64    65    66    69.00000  109.80000
   64    65    67    37.50000  110.70000
   64    65    74    70.00000  112.37300
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   64    72    73    55.00000  108.50000
   65    74    75    40.00000  115.04500
   65    74    76    80.00000  116.47100
   67    65    66    51.00000  107.60000
   74    53    56    60.00000  120.94000
   74    65    66    69.00000  109.80000
   74    65    67    45.00000  109.38400
   76    53    56    80.00000  116.47100
   76    53    74    15.00000   60.43100
   76    74    75    50.00000  114.27700
   68    64    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    64    65    50.00000  109.50000
   72    64    68    50.00000  109.50000
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.37300
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   54    62    63    55.00000  108.50000
   58    54    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    55    35.00000  109.50000
   62    54    58    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.56750  1.0 1.0
   33    39    46    48  -0.07550 -1.0 2.0
   33    39    46    48   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    48    49   0.15000  1.0 3.0
   39    46    48    50   0.15000  1.0 3.0
   39    46    48    51   0.56750  1.0 1.0
   39    46    48    51  -0.07550 -1.0 2.0
   39    46    48    51   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    48  -0.95700  1.0 1.0
   41    39    46    48  -0.18200 -1.0 2.0
   41    39    46    48   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    56  -0.25900  1.0 1.0
   41    43    44    56  -0.47000 -1.0 2.0
   41    43    44    56   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.62750  1.0 1.0
   43    44    46    48  -0.30950 -1.0 2.0
   43    44    46    48   0.27300  1.0 3.0
   43    44    56    53  -0.26800  1.0 1.0
   43    44    56    53   0.69150 -1.0 2.0
   43    44    56    53  -0.48750  1.0 3.0
   43    44    56    57   0.23400  1.0 3.0
   43    44    56    64   0.62750  1.0 1.0
   43    44    56    64  -0.30950 -1.0 2.0
   43    44    56    64   0.27300  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    51   0.56750  1.0 1.0
   44    46    48    51  -0.07550 -1.0 2.0
   44    46    48    51   0.20000  1.0 3.0
   44    56    64    65   0.56750  1.0 1.0
   44    56    64    65  -0.07550 -1.0 2.0
   44    56    64    65   0.20000  1.0 3.0
   44    56    64    68   0.56750  1.0 1.0
   44    56    64    68  -0.07550 -1.0 2.0
   44    56    64    68   0.20000  1.0 3.0
   44    56    64    72   0.86500  1.0 1.0
   44    56    64    72  -0.17500 -1.0 2.0
   44    56    64    72   0.20800  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    56    53   0.15000  1.0 3.0
   45    44    56    57   0.15000  1.0 3.0
   45    44    56    64   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    56    53   0.47050  1.0 1.0
   46    44    56    53   0.03900 -1.0 2.0
   46    44    56    53   0.20100  1.0 3.0
   46    44    56    57   0.15000  1.0 3.0
   46    44    56    64   0.56750  1.0 1.0
   46    44    56    64  -0.07550 -1.0 2.0
   46    44    56    64   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48   -51    53   0.47050  1.0 1.0
   46    48   -51    53   0.03900 -1.0 2.0
   46    48   -51    53   0.20100  1.0 3.0
   46    48    51    54   0.56750  1.0 1.0
   46    48    51    54  -0.07550 -1.0 2.0
   46    48    51    54   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    53    56   0.56750  1.0 1.0
   48    51    53    56  -0.07550 -1.0 2.0
   48    51    53    56   0.20000  1.0 3.0
   48    51    53    74   0.07850  1.0 1.0
   48    51    53    74  -0.03950 -1.0 2.0
   48    51    53    74   0.67350  1.0 3.0
   48    51    53    76   0.02550  1.0 1.0
   48    51    53    76  -0.02600 -1.0 2.0
   48    51    53    76   1.20400  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    58   0.56750  1.0 1.0
   48    51    54    58  -0.07550 -1.0 2.0
   48    51    54    58   0.20000  1.0 3.0
   48    51    54    62   0.86500  1.0 1.0
   48    51    54    62  -0.17500 -1.0 2.0
   48    51    54    62   0.20800  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    53   -56    44   0.56750  1.0 1.0
   51    53   -56    44  -0.07550 -1.0 2.0
   51    53   -56    44   0.20000  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    64   0.56750  1.0 1.0
   51    53    56    64  -0.07550 -1.0 2.0
   51    53    56    64   0.20000  1.0 3.0
   51    53    74    65   0.56750  1.0 1.0
   51    53    74    65  -0.07550 -1.0 2.0
   51    53    74    65   0.20000  1.0 3.0
   51    53    74    75   0.15000  1.0 3.0
   51    53   -74    76   0.02550  1.0 1.0
   51    53   -74    76  -0.02600 -1.0 2.0
   51    53   -74    76   1.20400  1.0 3.0
   51    53   -76    74   0.06250  1.0 1.0
   51    53   -76    74  -0.01100 -1.0 2.0
   51    53   -76    74   0.28050  1.0 3.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.15000  1.0 3.0
   51    54    58    61   0.15000  1.0 3.0
   51    54    62    63  -0.11600  1.0 1.0
   51    54    62    63  -0.09450 -1.0 2.0
   51    54    62    63   0.21250  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    74   0.15000  1.0 3.0
   52    51    53    76   0.23400  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   52    51    54    62   0.23400  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    58   0.47050  1.0 1.0
   53    51    54    58   0.03900 -1.0 2.0
   53    51    54    58   0.20100  1.0 3.0
   53    51    54    62   0.86500  1.0 1.0
   53    51    54    62  -0.17500 -1.0 2.0
   53    51    54    62   0.20800  1.0 3.0
   53    56   -64    65   0.47050  1.0 1.0
   53    56   -64    65   0.03900 -1.0 2.0
   53    56   -64    65   0.20100  1.0 3.0
   53    56    64    68   0.47050  1.0 1.0
   53    56    64    68   0.03900 -1.0 2.0
   53    56    64    68   0.20100  1.0 3.0
   53    56    64    72   0.86500  1.0 1.0
   53    56    64    72  -0.17500 -1.0 2.0
   53    56    64    72   0.20800  1.0 3.0
   56    44    46    39   0.56750  1.0 1.0
   56    44    46    39  -0.07550 -1.0 2.0
   56    44    46    39   0.20000  1.0 3.0
   56    44    46    47   0.15000  1.0 3.0
   56    44   -46    48   0.56750  1.0 1.0
   56    44   -46    48  -0.07550 -1.0 2.0
   56    44   -46    48   0.20000  1.0 3.0
   56    53   -74    65   0.56750  1.0 1.0
   56    53   -74    65  -0.07550 -1.0 2.0
   56    53   -74    65   0.20000  1.0 3.0
   56    53    74    75   0.15000  1.0 3.0
   56    53   -74    76   0.02550  1.0 1.0
   56    53   -74    76  -0.02600 -1.0 2.0
   56    53   -74    76   1.20400  1.0 3.0
   56    53   -76    74   0.06250  1.0 1.0
   56    53   -76    74  -0.01100 -1.0 2.0
   56    53   -76    74   0.28050  1.0 3.0
   56    64    65    66   0.35600  1.0 1.0
   56    64    65    66  -0.14650 -1.0 2.0
   56    64    65    66   0.33350  1.0 3.0
   56    64    65    67   0.15000  1.0 3.0
   56    64   -65    74   0.47050  1.0 1.0
   56    64   -65    74   0.03900 -1.0 2.0
   56    64   -65    74   0.20100  1.0 3.0
   56    64    68    69   0.15000  1.0 3.0
   56    64    68    70   0.15000  1.0 3.0
   56    64    68    71   0.15000  1.0 3.0
   56    64    72    73  -0.11600  1.0 1.0
   56    64    72    73  -0.09450 -1.0 2.0
   56    64    72    73   0.21250  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    68   0.15000  1.0 3.0
   57    56    64    72   0.23400  1.0 3.0
   64    65   -74    53   0.07850  1.0 1.0
   64    65   -74    53  -0.03950 -1.0 2.0
   64    65   -74    53   0.67350  1.0 3.0
   64    65    74    75   0.15000  1.0 3.0
   64    65    74    76   0.02550  1.0 1.0
   64    65    74    76  -0.02600 -1.0 2.0
   64    65    74    76   1.20400  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    72    73  -0.11600  1.0 1.0
   65    64    72    73  -0.09450 -1.0 2.0
   65    64    72    73   0.21250  1.0 3.0
   65    74   -76    53   0.06250  1.0 1.0
   65    74   -76    53  -0.01100 -1.0 2.0
   65    74   -76    53   0.28050  1.0 3.0
   66    65    74    53   0.35600  1.0 1.0
   66    65    74    53  -0.14650 -1.0 2.0
   66    65    74    53   0.33350  1.0 3.0
   66    65    74    75   0.27000  1.0 3.0
   66    65    74    76   0.56750  1.0 1.0
   66    65    74    76  -0.07550 -1.0 2.0
   66    65    74    76   0.20000  1.0 3.0
   67    65    74    53   0.15000  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    76   0.23400  1.0 3.0
   74    53    56    44   0.07850  1.0 1.0
   74    53    56    44  -0.03950 -1.0 2.0
   74    53    56    44   0.67350  1.0 3.0
   74    53    56    57   0.15000  1.0 3.0
   74    53   -56    64   0.07850  1.0 1.0
   74    53   -56    64  -0.03950 -1.0 2.0
   74    53   -56    64   0.67350  1.0 3.0
   75    74   -76    53   0.36800  1.0 3.0
   76    53    56    44   0.02550  1.0 1.0
   76    53    56    44  -0.02600 -1.0 2.0
   76    53    56    44   1.20400  1.0 3.0
   76    53    56    57   0.23400  1.0 3.0
   76    53   -56    64   0.02550  1.0 1.0
   76    53   -56    64  -0.02600 -1.0 2.0
   76    53   -56    64   1.20400  1.0 3.0
   76    53   -74    65   0.02550  1.0 1.0
   76    53   -74    65  -0.02600 -1.0 2.0
   76    53   -74    65   1.20400  1.0 3.0
   76    53   -74    75   0.23400  1.0 3.0
   68    64    65    66   0.35600  1.0 1.0
   68    64    65    66  -0.14650 -1.0 2.0
   68    64    65    66   0.33350  1.0 3.0
   68    64    65    67   0.15000  1.0 3.0
   68    64    65    74   0.47050  1.0 1.0
   68    64    65    74   0.03900 -1.0 2.0
   68    64    65    74   0.20100  1.0 3.0
   68    64    72    73  -0.11600  1.0 1.0
   68    64    72    73  -0.09450 -1.0 2.0
   68    64    72    73   0.21250  1.0 3.0
   72    64    65    66   0.56750  1.0 1.0
   72    64    65    66  -0.07550 -1.0 2.0
   72    64    65    66   0.20000  1.0 3.0
   72    64    65    67   0.23400  1.0 3.0
   72    64    65    74   0.86500  1.0 1.0
   72    64    65    74  -0.17500 -1.0 2.0
   72    64    65    74   0.20800  1.0 3.0
   72    64    68    69   0.23400  1.0 3.0
   72    64    68    70   0.23400  1.0 3.0
   72    64    68    71   0.23400  1.0 3.0
   54    51    53    56   0.56750  1.0 1.0
   54    51    53    56  -0.07550 -1.0 2.0
   54    51    53    56   0.20000  1.0 3.0
   54    51    53    74   0.07850  1.0 1.0
   54    51    53    74  -0.03950 -1.0 2.0
   54    51    53    74   0.67350  1.0 3.0
   54    51    53    76   0.02550  1.0 1.0
   54    51    53    76  -0.02600 -1.0 2.0
   54    51    53    76   1.20400  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    62    63   0.19450  1.0 3.0
   58    54    62    63  -0.11600  1.0 1.0
   58    54    62    63  -0.09450 -1.0 2.0
   58    54    62    63   0.21250  1.0 3.0
   62    54    58    59   0.23400  1.0 3.0
   62    54    58    60   0.23400  1.0 3.0
   62    54    58    61   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
