* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    147    228     430
    1     0 S   NP   _N1_     1    29.04827    93.12524   -21.56115
    2     1 S   H    _HN1     2     1.02831    26.00280   144.16464
    3     1 S   H    _H1_     3     1.02779    94.83727   -93.75063
    4     1 S   H    _H2_     4     1.02938    90.86937    14.82316
    5     1 S   CT   _CA1     5     1.50174   136.48335   136.31772
    6     5 S   HC   _HA1     6     1.09572   105.09458    62.91996
    7     5 S   CO3  _C1_     7     1.53827   112.73848   -56.96170
    8     7 S   O2Z  _O11     8     1.26371   115.01482   -32.73132
    9     7 S   O2Z  _O12     9     1.26234   115.09037   146.60566
   10     5 S   CT   _CB1    10     1.53147   107.38120  -179.08144
   11    10 S   HC   HB11    11     1.09820   109.30779   -48.18336
   12    10 S   HC   HB12    12     1.09799   110.42469    68.44008
   13    10 S   CT   _CG1    13     1.52941   112.67966  -169.18979
   14    13 S   HC   HG11    14     1.09531   110.54170   -67.22294
   15    13 S   HC   HG12    15     1.09682   109.81666    51.89368
   16    13 S   C    _CD1    16     1.51819   112.59892   172.17853
   17    16 S   O    _OE1    17     1.22685   123.40654     2.72950
   18    16 S   N    _N2_    18     1.38607   111.38541  -177.03958
   19    18 S   H    _HN2    19     1.01590   118.77957     0.53302
   20    18 S   CT1  _CA2    20     1.46275   123.71308   177.31934
   21    20 S   HC   _HA2    21     1.09733   109.49427    -8.06908
   22    20 S   C    _C2_    22     1.53435   107.97943  -123.43152
   23    22 S   O    _O2_    23     1.23015   122.47411  -146.39022
   24    20 S   CT   _CB2    32     1.53235   111.17246   114.44433
   25    24 S   HC   HB21    33     1.09492   109.60713    51.39452
   26    24 S   HC   HB22    34     1.09486   111.00371   170.36034
   27    22 S   N    _N3_    24     1.38389   113.39140    41.00481
   28    27 S   H    _HN3    25     1.01637   119.50061    -3.47080
   29    24 S   S    _SG2    35     1.82653   111.16708   -70.49387
   30    27 S   CT   _CA3    26     1.45287   123.17358   177.06195
   31    30 S   HC   HA31    27     1.09550   107.51910   -64.06173
   32    30 S   HC   HA32    28     1.09556   107.96294    52.36046
   33    29 S   CT   _C12    36     1.84915   100.14706   156.85090
   34    33 S   HC   _H5_    37     1.09495   105.27742    13.75976
   35    30 S   CO3  _C3_    29     1.52947   114.09912   174.33469
   36    35 S   O2Z  _O31    30     1.26372   116.04946    -1.15572
   37    35 S   O2Z  _O32    31     1.26427   114.41715   178.90496
   38    33 S   CM   _C11    38     1.50580   108.78861   124.00811
   39    38 S   HC   _H15    39     1.09129   116.26578   -38.41121
   40    38 S   CMA  _C10    40     1.34815   126.37540   144.86841
   41    40 S   OM   _O33    41     1.26154   129.12901   178.47993
   42    40 S   CT   _C9_    42     1.52290   119.86139    -1.57147
   43    42 S   HC   _H13    43     1.09964   109.99448   133.86494
   44    42 S   HC   _H14    44     1.09983   108.47383  -111.90281
   45    42 S   CT   _C8_    45     1.53546   116.32110     9.60720
   46    45 S   HC   _H4_    46     1.09901   109.62902  -159.61308
   47    33 S   CT   _C7_    47     1.57472   113.66115  -106.36325
   48    47 S   CA   _C13    48     1.54768   113.66025   -36.71178
   49    47 S   CT   _C6_    67     1.55418   109.58306    90.09727
   50    49 S   HC   _H11    68     1.09426   113.53487   -50.23966
   51    49 S   HC   _H12    69     1.09857   111.04968  -171.02252
   52    48 S   CA   _C14    49     1.40451   122.11381   113.73524
   53    52 S   HA   _H16    50     1.08635   121.62703     0.08393
   54    49 S   CT   _C5_    70     1.51771   106.22232    72.91125
   55    54 S   HC   _H9_    71     1.09465   112.28571   148.01182
   56    54 S   HC   _H10    72     1.09387   113.20293   -87.45966
   57    52 S   CA   _C15    51     1.40006   121.80081  -178.98799
   58    57 S   HA   _H17    52     1.08545   117.49586  -179.56165
   59    45 S   NP   _N4_    73     1.53912   109.23954    85.06837
   60    59 S   H    _H3_    74     1.03040   107.36508   -34.14765
   61    57 S   CA   _C16    53     1.39386   120.62229     0.68984
   62    59 S   CT   _C4_    75     1.50006   114.09110    84.45093
   63    62 S   HC   _H6_    76     1.09329   108.68893    61.81818
   64    62 S   HC   _H7_    77     1.09318   107.77399  -177.90053
   65    62 S   HC   _H8_    78     1.09181   108.58539   -58.94522
   66    61 S   CA   _C17    54     1.40227   119.02681     0.35054
   67    61 S   OS   _O35    62     1.37225   124.82450  -179.96574
   68    48 S   CA   _C18    55     1.40816   121.23027   -63.51107
   69    68 S   HA   _H18    56     1.08172   118.89269     0.63025
   70    66 S   OS   _O34    57     1.37423   115.83726   179.22116
   71    67 S   CT   _C20    63     1.42220   117.24677    -1.79951
   72    71 S   HC   _H22    64     1.09427   107.73785  -179.65057
   73    71 S   HC   _H23    65     1.09481   111.17624    62.65297
   74    71 S   HC   _H24    66     1.09471   111.01817   -62.05312
   75    70 S   CT   _C19    58     1.42254   117.50382  -179.51181
   76    75 S   HC   _H19    59     1.09428   107.71267  -179.67736
   77    75 S   HC   _H20    60     1.09499   111.13454    62.67052
   78    75 S   HC   _H21    61     1.09501   111.17842   -61.99659
  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   9   5   4   3
  17   7   2   1   1  10   4   8   4  11   5   4  17   7  16  14
  10   5   4   8   4   8   4   3   7   3   5   4  10   3   2   1
   1   9   6   3   1   4   3   2   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    48    52    68    49    50    51    54    59  
   38    39    40    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    49  
   40    41    42    47  
   41    42    43    44    45    46    47    59  
   42    43    44    45  
   43    44    45    46    47    48    49    54    59    60    62  
   44    45    46    47    59  
   45    46    47    59  
   46    47    48    52    68    49    50    51    54    55    56    59    60    62    63    64    65  
   47    48    49    54    59    60    62  
   48    52    53    57    66    68    69    49    50    51    54    55    56    59    60    62  
   52    53    57    58    61    66    68    69    70    49    50    51    54    59  
   50    51    54    55    56    59    60    62    52    68  
   51    54    55    56    59  
   54    55    56    59  
   53    57    58    61    66    68    69    67  
   57    58    61    68  
   55    56    59    60    62    63    64    65  
   56    59    60    62  
   59    60    62  
   58    61    66    68    70    67    71  
   61    66    67  
   60    62    63    64    65  
   62    63    64    65  
   66    68    69    70    75    67    71    72    73    74  
   63    64    65  
   64    65  
   65  
    0  
   68    69    70    75    76    77    78    67    71  
   71    72    73    74    68    70  
   69    70    75  
   70  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   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   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    59   367.000  1.471
   47    48   317.000  1.510
   47    49   268.000  1.529
   48    52   469.000  1.400
   48    68   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    66   469.000  1.400
   61    67   450.000  1.364
   66    68   469.000  1.400
   66    70   450.000  1.364
   68    69   367.000  1.080
   70    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   67    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   367.000  1.471
   59    60   434.000  1.010
   59    62   367.000  1.471
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    58.35000  112.70000
   33    47    48    70.00000  112.17500
   33    47    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    59    80.00000  111.20000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    70.00000  112.17500
   45    47    49    58.35000  112.70000
   45    59    54    75.00000  113.01200
   45    59    60    35.00000  109.50000
   45    59    62    75.00000  113.01200
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    45    46    37.50000  110.70000
   47    48    52    70.00000  120.00000
   47    48    68    70.00000  120.00000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    58.35000  112.70000
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    68    66    63.00000  120.00000
   48    68    69    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    61    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    61    66    63.00000  120.00000
   57    61    67    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    66    68    63.00000  120.00000
   61    66    70    70.00000  120.00000
   61    67    71    75.00000  111.00000
   66    68    69    35.00000  120.00000
   66    70    75    75.00000  111.00000
   68    48    52    63.00000  120.00000
   70    66    68    70.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    61    66    70.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   49    47    48    70.00000  112.17500
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    59    80.00000  111.20000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    59    60    35.00000  109.50000
   54    59    62    75.00000  113.01200
   56    54    55    33.00000  107.80000
   59    45    46    35.00000  109.50000
   59    45    47    80.00000  111.20000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   62    59    60    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    45   0.44750  1.0 1.0
   29    33    47    45  -0.17800 -1.0 2.0
   29    33    47    45   0.20200  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    48    52   0.04150 -1.0 2.0
   33    47    48    68   0.04150 -1.0 2.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    54   0.56750  1.0 1.0
   33    47    49    54  -0.07550 -1.0 2.0
   33    47    49    54   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.43200  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48   0.21200  1.0 1.0
   38    33    47    48   0.16900 -1.0 2.0
   38    33    47    48  -1.15100  1.0 3.0
   38    33    47    49   0.34400  1.0 1.0
   38    33    47    49   0.09450 -1.0 2.0
   38    33    47    49   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    59  -0.47300  1.0 1.0
   40    42    45    59   0.29700 -1.0 2.0
   40    42    45    59   0.83300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45   -47    33   0.56750  1.0 1.0
   42    45   -47    33  -0.07550 -1.0 2.0
   42    45   -47    33   0.20000  1.0 3.0
   42    45    47    48  -0.03700  1.0 1.0
   42    45    47    48   0.37200 -1.0 2.0
   42    45    47    48  -0.47300  1.0 3.0
   42    45    47    49   0.56750  1.0 1.0
   42    45    47    49  -0.07550 -1.0 2.0
   42    45    47    49   0.20000  1.0 3.0
   42    45    59    54   0.47100  1.0 1.0
   42    45    59    60   0.17350  1.0 3.0
   42    45    59    62   0.47100  1.0 1.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    59   0.19200  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    59   0.19200  1.0 3.0
   45    47    48    52   0.04150 -1.0 2.0
   45    47    48    68   0.04150 -1.0 2.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   45    47   -49    54   0.56750  1.0 1.0
   45    47   -49    54  -0.07550 -1.0 2.0
   45    47   -49    54   0.20000  1.0 3.0
   45    59    62    63   0.15000  1.0 3.0
   45    59    62    64   0.15000  1.0 3.0
   45    59    62    65   0.15000  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    48   0.43200  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    59    54   0.15000  1.0 3.0
   46    45    59    60   0.13050  1.0 3.0
   46    45    59    62   0.15000  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    45   -59    54   0.47100  1.0 1.0
   47    45    59    60   0.17350  1.0 3.0
   47    45    59    62   0.47100  1.0 1.0
   47    48    52    53   3.62500 -1.0 2.0
   47    48    52    57   3.62500 -1.0 2.0
   47    48    68    66   3.62500 -1.0 2.0
   47    48    68    69   3.62500 -1.0 2.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49   -54    59   1.36600  1.0 1.0
   47    49   -54    59  -0.11450 -1.0 2.0
   47    49   -54    59   0.24250  1.0 3.0
   48    47    49    50   0.43200  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    47    49    54  -0.03700  1.0 1.0
   48    47    49    54   0.37200 -1.0 2.0
   48    47    49    54  -0.47300  1.0 3.0
   48    52    57    58   3.62500 -1.0 2.0
   48    52    57    61   3.62500 -1.0 2.0
   52    48    68    66   3.62500 -1.0 2.0
   52    48    68    69   3.62500 -1.0 2.0
   52    57   -61    66   3.62500 -1.0 2.0
   52    57    61    67   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    61   3.62500 -1.0 2.0
   57    61    66    68   3.62500 -1.0 2.0
   57    61    66    70   3.62500 -1.0 2.0
   57    61    67    71   1.63200 -1.0 2.0
   58    57    61    66   3.62500 -1.0 2.0
   58    57    61    67   3.62500 -1.0 2.0
   61    66   -68    48   3.62500 -1.0 2.0
   61    66    68    69   3.62500 -1.0 2.0
   61    66    70    75   1.63200 -1.0 2.0
   61    67    71    72   0.08050  1.0 3.0
   61    67    71    73   0.08050  1.0 3.0
   61    67    71    74   0.08050  1.0 3.0
   66    61    67    71   1.63200 -1.0 2.0
   66    70    75    76   0.08050  1.0 3.0
   66    70    75    77   0.08050  1.0 3.0
   66    70    75    78   0.08050  1.0 3.0
   68    48    52    53   3.62500 -1.0 2.0
   68    48   -52    57   3.62500 -1.0 2.0
   68    66    70    75   1.63200 -1.0 2.0
   70    66    68    48   3.62500 -1.0 2.0
   70    66    68    69   3.62500 -1.0 2.0
   67    61    66    68   3.62500 -1.0 2.0
   67    61    66    70   3.62500 -1.0 2.0
   49    47    48    52   0.04150 -1.0 2.0
   49    47    48    68   0.04150 -1.0 2.0
   49    54   -59    45   0.47100  1.0 1.0
   49    54    59    60   0.17350  1.0 3.0
   49    54    59    62   0.47100  1.0 1.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    59   0.19200  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    59   0.19200  1.0 3.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59    62    65   0.15000  1.0 3.0
   55    54    59    45   0.15000  1.0 3.0
   55    54    59    60   0.13050  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   56    54    59    45   0.15000  1.0 3.0
   56    54    59    60   0.13050  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   59    45    47    33   1.36600  1.0 1.0
   59    45    47    33  -0.11450 -1.0 2.0
   59    45    47    33   0.24250  1.0 3.0
   59    45    47    48   1.24050  1.0 1.0
   59    45    47    48   0.48100 -1.0 2.0
   59    45    47    48   1.08150  1.0 3.0
   59    45   -47    49   1.36600  1.0 1.0
   59    45   -47    49  -0.11450 -1.0 2.0
   59    45   -47    49   0.24250  1.0 3.0
   60    59    62    63   0.13050  1.0 3.0
   60    59    62    64   0.13050  1.0 3.0
   60    59    62    65   0.13050  1.0 3.0
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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   52    68    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   61    58    57    52   1.10000 -1.0 2.0
   66    67    61    57   4.00000 -1.0 2.0
   68    70    66    61   4.00000 -1.0 2.0
   66    69    68    48   1.10000 -1.0 2.0
END
