* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    160    254     462
    1     0 S   NP   _N1_     1    28.19334    98.66931   -22.82247
    2     1 S   H    _HN1     2     1.02773   111.10961  -122.10649
    3     1 S   H    _H1_     3     1.02947    66.59762   -20.55580
    4     1 S   H    _H2_     4     1.02830    41.85926   144.31092
    5     1 S   CT   _CA1     5     1.50183   134.80565    75.50387
    6     5 S   HC   _HA1     6     1.09576   105.17407   101.24623
    7     5 S   CO3  _C1_     7     1.53808   111.93741   -18.83325
    8     7 S   O2Z  _O11     8     1.26382   115.00450   -50.74367
    9     7 S   O2Z  _O12     9     1.26204   114.92208   127.71904
   10     5 S   CT   _CB1    10     1.53060   107.32371  -140.97693
   11    10 S   HC   HB11    11     1.09840   109.44111   -49.14741
   12    10 S   HC   HB12    12     1.09805   110.47978    67.42668
   13    10 S   CT   _CG1    13     1.53023   112.61741  -170.03433
   14    13 S   HC   HG11    14     1.09591   110.66017   -64.21793
   15    13 S   HC   HG12    15     1.09657   109.81771    54.99697
   16    13 S   C    _CD1    16     1.51878   111.95208   175.51127
   17    16 S   O    _OE1    17     1.22800   123.22685     8.59969
   18    16 S   N    _N2_    18     1.38421   111.94843  -171.84154
   19    18 S   H    _HN2    19     1.01931   119.10802     2.43695
   20    18 S   CT1  _CA2    20     1.45841   122.89758   179.41316
   21    20 S   HC   _HA2    21     1.09725   108.66930    30.45176
   22    20 S   C    _C2_    22     1.52938   107.12987   -86.91554
   23    22 S   O    _O2_    23     1.22982   123.08628   -29.26826
   24    20 S   CT   _CB2    32     1.53279   112.07336   153.52756
   25    24 S   HC   HB21    33     1.09287   109.35999    57.78504
   26    24 S   HC   HB22    34     1.09519   110.31363   175.81404
   27    22 S   N    _N3_    24     1.38517   112.62228   153.38221
   28    27 S   H    _HN3    25     1.01653   120.41912    -1.56848
   29    24 S   S    _SG2    35     1.82905   110.83644   -64.68411
   30    27 S   CT   _CA3    26     1.45365   122.33603   178.81518
   31    30 S   HC   HA31    27     1.09566   107.58070   -61.16766
   32    30 S   HC   HA32    28     1.09571   107.81283    55.13177
   33    29 S   CT   _C16    36     1.87425   102.18109   151.76475
   34    30 S   CO3  _C3_    29     1.52862   114.43111   177.09869
   35    34 S   O2Z  _O31    30     1.26318   116.07576     0.38967
   36    34 S   O2Z  _O32    31     1.26453   114.39591  -179.58788
   37    33 S   CT   _C14    37     1.56040   104.91570   178.21600
   38    37 S   HC   _H10    38     1.09561   111.40549   -56.93793
   39    37 S   HC   _H11    39     1.09526   111.44482    61.00028
   40    33 S   CT   _C17    72     1.56637   109.70053    57.43175
   41    40 S   HC   _H13    73     1.09582   110.34288   -60.08548
   42    40 S   HC   _H14    74     1.09576   109.65418  -175.89979
   43    37 S   S    _S1_    40     1.83076   114.28094  -177.35499
   44    40 S   S    _S2_    75     1.82921   116.27203    63.16746
   45    43 S   C4T  _C15    41     1.82067    96.55032   -58.47843
   46    45 S   HC   _H12    42     1.09485   114.14849   -79.49063
   47    44 S   CRA  _C12    76     1.72601   101.28846   174.96195
   48    45 S   C4T  _C4_    43     1.55594   116.77384   144.33402
   49    48 S   HC   _H4_    44     1.09660   113.94081   134.97790
   50    45 S   N4   _N9_    47     1.45470   109.51743    47.94422
   51    47 S   N5B  _N5_    77     1.31445   127.38497     5.67647
   52    48 S   C4   _C5_    45     1.55229    85.21341  -112.91724
   53    52 S   O    _O1_    46     1.20902   136.40180   179.91607
   54    33 S   CT1  _C20    48     1.56767   111.03498   -62.66310
   55    54 S   HC   _H19    49     1.09842   108.54783    80.25871
   56    48 S   N    _N4_    53     1.47895   118.31436     0.88249
   57    56 S   H    _H3_    54     1.01731   119.18746   -91.59161
   58    51 S   N5B  _N6_    78     1.37369   105.86126  -179.09108
   59    54 S   CO3  _C21    50     1.55001   117.05931   -39.65168
   60    59 S   O2Z  _O7_    51     1.26573   114.62104   113.84048
   61    59 S   O2Z  _O8_    52     1.26221   116.13841   -66.39323
   62    56 S   C    _C13    55     1.38756   122.72984    86.90301
   63    62 S   O    _O3_    56     1.22920   124.48727     1.35869
   64    58 S   N5A  _N7_    79     1.32625   111.09137     0.20842
   65    62 S   CT   _C19    57     1.52700   112.84467  -179.18076
   66    65 S   HC   _H17    58     1.09664   107.41492   -50.72627
   67    47 S   NA   _N8_    80     1.36571   124.02175  -173.65131
   68    65 S   CA   _C11    59     1.51289   112.42090    70.65699
   69    65 S   OH   _O6_    70     1.42014   110.36394  -166.30777
   70    69 S   HO   _H18    71     0.97258   108.00745   -56.46549
   71    67 S   CT   _C18    81     1.44449   130.91666     2.40705
   72    71 S   HC   _H15    82     1.09553   107.99352   143.93411
   73    71 S   HC   _H16    83     1.09356   109.03153    27.04659
   74    68 S   CA   _C9_    60     1.40259   120.01344  -121.21197
   75    74 S   HA   _H8_    61     1.08737   120.52003    -0.40056
   76    71 S   SY   _S3_    84     1.77468   115.68312   -95.16198
   77    76 S   OY   _O33    85     1.46112   103.65119   -61.02934
   78    76 S   OY   _O4_    86     1.46086   103.66394    59.54074
   79    76 S   OY   _O5_    87     1.46205   102.69096   179.25875
   80    74 S   CA   _C7_    62     1.39594   120.60502   179.62361
   81    80 S   HA   _H6_    63     1.08629   119.87046   179.81337
   82    80 S   CA   _C6_    64     1.39288   120.11894    -0.15195
   83    82 S   HA   _H5_    65     1.08593   120.08052   179.98022
   84    82 S   CA   _C8_    66     1.39277   119.89475     0.16071
   85    84 S   HA   _H7_    67     1.08629   119.98767  -179.92867
   86    68 S   CA   _C10    68     1.40337   121.30660    58.50244
   87    86 S   HA   _H9_    69     1.08736   120.51656     0.12972
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  12   6   8  10
   6   8   4   7   2   4   3   7   3   3   2   1   1   8   4   5
  10   5   7  11   3   1   6   5   4   8   4   3   2   1   1   6
   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    54    55    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    52    50    54    55    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    50    54    55    59    40    41    42    44  
   39    43    45    54    40  
   43    45    54    40  
   41    42    44    47    51    67    43    50    54    55    59  
   42    44    47    54  
   44    47    54  
   45    46    48    49    52    50    54    56  
   47    51    58    64    67    71    54  
   46    48    49    52    53    50    54    55    59    56    57    62  
   48    49    52    50    54    56  
   51    58    64    67    71    72    73    76  
   49    52    53    50    54    56    57    62    63    65  
   52    53    50    56    57    62  
   54    55    59    60    61    56    52    53  
   58    64    67    71  
   53    54    55    59    56    57    62  
   54    56  
   55    59    60    61  
   59    60    61  
   57    62    63    65    66    68    69  
   62    63    65  
   64    67    71  
   60    61  
   61  
    0  
   63    65    66    68    74    86    69    70  
   65    66    68    69  
   67    71    72    73    76  
   66    68    74    75    80    84    86    87    69    70  
   68    74    86    69    70  
   71    72    73    76    77    78    79  
   74    75    80    81    82    84    85    86    87    69    70  
   70    74    86  
    0  
   72    73    76    77    78    79  
   73    76    77    78    79  
   76    77    78    79  
   75    80    81    82    83    84    86    87  
   80    81    82    86  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83    84  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   65   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.421900   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
   77   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   79   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   305.000  1.456
   48    49   340.000  1.090
   48    52   250.000  1.540
   48    56   337.000  1.449
   52    53   930.000  1.212
   52    50   440.000  1.369
   50    54   337.000  1.449
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   56    57   434.000  1.010
   56    62   490.000  1.335
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    68   317.000  1.510
   65    69   320.000  1.410
   68    74   469.000  1.400
   68    86   469.000  1.400
   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   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   69    70   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    51   488.000  1.335
   47    67   477.000  1.343
   51    58   290.000  1.379
   58    64   420.000  1.291
   64    67   400.000  1.349
   67    71   320.000  1.443
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   205.000  1.840
   76    77   735.000  1.471
   76    78   735.000  1.471
   76    79   735.000  1.471
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    54    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    54    50    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    48    49    37.50000  110.70000
   45    48    52   100.00000   86.36000
   45    48    56    80.00000  110.05700
   45    50    52   100.00000   93.00000
   45    50    54    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    52    53    60.00000  136.58000
   48    52    50    95.00000   92.72400
   48    56    57    38.00000  118.40000
   48    56    62    50.00000  121.90000
   52    48    49    40.00000  113.37500
   52    50    54    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    48   105.00000   87.49700
   50    52    53    75.00000  131.60000
   50    54    55    35.00000  109.50000
   50    54    59    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    59    60    70.00000  117.00000
   54    59    61    70.00000  117.00000
   59    54    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   56    48    49    50.00000  112.01000
   56    48    52    75.00000  110.24000
   56    62    63    80.00000  122.90000
   56    62    65    70.00000  116.60000
   62    56    57    35.00000  119.80000
   62    65    66    35.00000  109.50000
   62    65    68    70.00000  109.44300
   62    65    69    95.00000  109.52300
   65    62    63    80.00000  120.40000
   65    68    74    70.00000  120.00000
   65    68    86    70.00000  120.00000
   65    69    70    55.00000  108.50000
   68    65    66    35.00000  109.50000
   68    74    75    35.00000  120.00000
   68    74    80    63.00000  120.00000
   68    86    84    63.00000  120.00000
   68    86    87    35.00000  120.00000
   74    80    81    35.00000  120.00000
   74    80    82    63.00000  120.00000
   80    74    75    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  120.00000
   86    68    74    63.00000  120.00000
   86    84    85    35.00000  120.00000
   69    65    66    35.00000  109.50000
   69    65    68    90.00000  112.51600
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    51    70.00000  126.12900
   44    47    67    70.00000  123.45500
   47    51    58   100.00000  108.10500
   47    67    64    95.00000  110.06400
   47    67    71    60.00000  127.66100
   51    58    64   100.00000  111.97400
   58    64    67   110.00000  106.81600
   64    67    71    75.00000  118.68000
   67    47    51    70.00000  120.00000
   67    71    72    50.00000  108.61900
   67    71    73    50.00000  108.61900
   67    71    76    85.00000  110.00000
   71    76    77   100.00000  108.55000
   71    76    78   100.00000  108.55000
   71    76    79   100.00000  108.55000
   73    71    72    33.00000  107.80000
   76    71    72    45.00000  108.39800
   76    71    73    45.00000  108.39800
   78    76    77   115.00000  120.17200
   79    76    77   115.00000  120.17200
   79    76    78   115.00000  120.17200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    54    50   0.71400  1.0 1.0
   29    33    54    50   0.04300 -1.0 2.0
   29    33    54    50   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59  -2.17200  1.0 1.0
   29    33    54    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   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    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    54    59    60   0.00000  1.0 1.0
   33    54    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    54    50   0.42250  1.0 1.0
   37    33    54    50  -0.48100 -1.0 2.0
   37    33    54    50   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    59  -0.84850  1.0 1.0
   37    33    54    59  -0.22800 -1.0 2.0
   37    33    54    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    49   0.00000  1.0 1.0
   43    45    48    52   0.00000  1.0 1.0
   43    45    48    56   0.00000  1.0 1.0
   43    45   -50    52   0.00000  1.0 1.0
   43    45    50    54   0.00000  1.0 1.0
   45    48    52    53  -0.11250  1.0 1.0
   45    48    52    53   0.11400 -1.0 2.0
   45    48    52    53  -0.28950  1.0 3.0
   45    48   -52    50   3.00000 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    62  -0.43950  1.0 1.0
   45    48    56    62  -0.08100 -1.0 2.0
   45    48    56    62   0.03350  1.0 3.0
   45    50   -54    33   0.00000  1.0 1.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    59   0.00000  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45   -50    52   0.00000  1.0 1.0
   46    45    50    54   0.00000  1.0 1.0
   48    45   -50    52   0.00000  1.0 1.0
   48    45    50    54   0.00000  1.0 1.0
   48    52   -50    45   3.00000 -1.0 2.0
   48    52   -50    54   3.00000 -1.0 2.0
   48    56    62    63   3.04450 -1.0 2.0
   48    56    62    65   1.49850  1.0 1.0
   48    56    62    65   1.53950 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    50   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    62   0.00000  1.0 1.0
   52    48    56    57   0.00000  1.0 1.0
   52    48    56    62  -0.42300  1.0 1.0
   52    48    56    62  -0.07000 -1.0 2.0
   52    48    56    62   0.04150  1.0 3.0
   52    50    54    33   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    59   0.00000  1.0 1.0
   53    52   -50    45   3.00000 -1.0 2.0
   53    52    50    54   3.00000 -1.0 2.0
   50    45   -48    49   0.15000  1.0 3.0
   50    45   -48    52   3.00000 -1.0 2.0
   50    45    48    56   2.20050  1.0 1.0
   50    45    48    56   0.63450 -1.0 2.0
   50    45    48    56  -0.91300  1.0 3.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    43   0.44750  1.0 1.0
   54    33   -37    43  -0.17800 -1.0 2.0
   54    33   -37    43   0.20200  1.0 3.0
   54    33    40    41   0.15000  1.0 3.0
   54    33    40    42   0.15000  1.0 3.0
   54    33    40    44   0.44750  1.0 1.0
   54    33    40    44  -0.17800 -1.0 2.0
   54    33    40    44   0.20200  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   56    48    52    53   0.30150 -1.0 2.0
   56    48   -52    50   0.00000  1.0 1.0
   56    62    65    66   0.00000  1.0 1.0
   56    62    65    68   0.00000  1.0 1.0
   56    62    65    69   0.00000  1.0 1.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    65   2.45000 -1.0 2.0
   62    65    68    74   0.04300 -1.0 2.0
   62    65    68    86   0.04300 -1.0 2.0
   62    65    69    70   0.91850  1.0 1.0
   62    65    69    70   0.57950  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    68   0.30150 -1.0 2.0
   63    62    65    69   0.30150 -1.0 2.0
   65    68    74    75   3.62500 -1.0 2.0
   65    68    74    80   3.62500 -1.0 2.0
   65    68    86    84   3.62500 -1.0 2.0
   65    68    86    87   3.62500 -1.0 2.0
   66    65    68    74   0.00000  1.0 1.0
   66    65    68    86   0.00000  1.0 1.0
   66    65    69    70   0.19450  1.0 3.0
   68    65    69    70   0.31900  1.0 1.0
   68    65    69    70  -0.11800 -1.0 2.0
   68    65    69    70   0.38750  1.0 3.0
   68    74    80    81   3.62500 -1.0 2.0
   68    74    80    82   3.62500 -1.0 2.0
   74    68    86    84   3.62500 -1.0 2.0
   74    68    86    87   3.62500 -1.0 2.0
   74    80    82    83   3.62500 -1.0 2.0
   74    80   -82    84   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
   80    82    84    85   3.62500 -1.0 2.0
   80    82    84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84   -86    68   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   85    84    86    68   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    68    74    75   3.62500 -1.0 2.0
   86    68   -74    80   3.62500 -1.0 2.0
   69    65    68    74   0.14300 -1.0 2.0
   69    65    68    74   0.00300  1.0 3.0
   69    65    68    86   0.14300 -1.0 2.0
   69    65    68    86   0.00300  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    54    50   0.42250  1.0 1.0
   40    33    54    50  -0.48100 -1.0 2.0
   40    33    54    50   0.35650  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    59  -0.84850  1.0 1.0
   40    33    54    59  -0.22800 -1.0 2.0
   40    33    54    59   0.29250  1.0 3.0
   40    44    47    51   0.63150 -1.0 2.0
   40    44    47    67   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    51    58   3.62500 -1.0 2.0
   44    47    67    64   3.62500 -1.0 2.0
   44    47    67    71   3.62500 -1.0 2.0
   47    51   -58    64   3.62500 -1.0 2.0
   47    67    71    72   0.00000  1.0 1.0
   47    67    71    73   0.00000  1.0 1.0
   47    67    71    76   0.68100  1.0 1.0
   47    67    71    76   0.03350 -1.0 2.0
   47    67    71    76   0.36200  1.0 3.0
   51    47   -67    64   3.62500 -1.0 2.0
   51    47    67    71   3.62500 -1.0 2.0
   51    58   -64    67   3.62500 -1.0 2.0
   58    64   -67    47   3.62500 -1.0 2.0
   58    64    67    71   3.62500 -1.0 2.0
   64    67    71    72   0.00000  1.0 1.0
   64    67    71    73   0.00000  1.0 1.0
   64    67    71    76   0.68100  1.0 1.0
   64    67    71    76   0.03350 -1.0 2.0
   64    67    71    76   0.36200  1.0 3.0
   67    47   -51    58   3.62500 -1.0 2.0
   67    71    76    77  -0.67400  1.0 1.0
   67    71    76    77   0.68950 -1.0 2.0
   67    71    76    77  -0.11550  1.0 3.0
   67    71    76    78  -0.67400  1.0 1.0
   67    71    76    78   0.68950 -1.0 2.0
   67    71    76    78  -0.11550  1.0 3.0
   67    71    76    79  -0.67400  1.0 1.0
   67    71    76    79   0.68950 -1.0 2.0
   67    71    76    79  -0.11550  1.0 3.0
   72    71    76    77   0.26000  1.0 3.0
   72    71    76    78   0.26000  1.0 3.0
   72    71    76    79   0.26000  1.0 3.0
   73    71    76    77   0.26000  1.0 3.0
   73    71    76    78   0.26000  1.0 3.0
   73    71    76    79   0.26000  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
   36    30    34    35  10.50000 -1.0 2.0
   48    50    52    53  10.50000 -1.0 2.0
   54    52    50    45   1.00000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   57    62    56    48   1.00000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
   74    86    68    65   4.00000 -1.0 2.0
   80    75    74    68   1.10000 -1.0 2.0
   82    81    80    74   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   84    87    86    68   1.10000 -1.0 2.0
   51    67    47    44   4.00000 -1.0 2.0
   64    71    67    47   4.00000 -1.0 2.0
END
