* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    126    203     370
    1     0 S   NP   _N1_     1    29.71591    98.49325   -16.01195
    2     1 S   H    _HN1     2     1.02970    80.50364    24.84127
    3     1 S   H    _H1_     3     1.02838    65.74738   138.44126
    4     1 S   H    _H2_     4     1.02777    61.17462   -92.31037
    5     1 S   CT   _CA1     5     1.50150   169.02585  -148.02368
    6     5 S   HC   _HA1     6     1.09567   105.23700   -10.06249
    7     5 S   CO3  _C1_     7     1.53762   112.41490  -130.27213
    8     7 S   O2Z  _O11     8     1.26349   114.96380   -40.96664
    9     7 S   O2Z  _O12     9     1.26215   115.03293   138.29676
   10     5 S   CT   _CB1    10     1.53098   107.39269   107.93742
   11    10 S   HC   HB11    11     1.09816   109.32784   -49.89683
   12    10 S   HC   HB12    12     1.09812   110.38409    66.63792
   13    10 S   CT   _CG1    13     1.52989   112.70398  -171.01104
   14    13 S   HC   HG11    14     1.09480   110.39964   -63.06240
   15    13 S   HC   HG12    15     1.09643   110.04777    55.99877
   16    13 S   C    _CD1    16     1.51823   112.35021   176.11456
   17    16 S   O    _OE1    17     1.22730   123.17943    -8.23857
   18    16 S   N    _N2_    18     1.38476   111.67101   172.16093
   19    18 S   H    _HN2    19     1.01640   119.00808     2.32860
   20    18 S   CT1  _CA2    20     1.45608   123.42421   176.83578
   21    20 S   HC   _HA2    21     1.09686   109.41352     0.70443
   22    20 S   C    _C2_    22     1.52899   106.23589  -115.95223
   23    22 S   O    _O2_    23     1.22993   122.93993   -27.78534
   24    20 S   CT   _CB2    32     1.53173   112.66843   124.36175
   25    24 S   HC   HB21    33     1.09381   111.57299    51.60736
   26    24 S   HC   HB22    34     1.09599   109.44711   168.72651
   27    22 S   N    _N3_    24     1.38469   112.65564   154.90387
   28    27 S   H    _HN3    25     1.01660   120.36778    -1.84525
   29    24 S   S    _SG2    35     1.82763   112.62681   -73.92694
   30    27 S   CT   _CA3    26     1.45361   122.48207   178.62257
   31    30 S   HC   HA31    27     1.09566   107.78102   -56.53254
   32    30 S   HC   HA32    28     1.09563   107.63988    59.80262
   33    29 S   CT   _C10    36     1.87762   101.47505    93.23473
   34    33 S   HC   _H3_    37     1.09136   102.74557   -46.26703
   35    30 S   CO3  _C3_    29     1.52890   114.31580  -178.39856
   36    35 S   O2Z  _O31    30     1.26337   116.04483     0.33572
   37    35 S   O2Z  _O32    31     1.26433   114.41555  -179.69353
   38    33 S   CA   _C8_    38     1.53893   110.06860    68.79058
   39    33 S   CT   _C11    49     1.60646   114.17530  -159.04281
   40    39 S   OM   _O33    50     1.32569   109.84752   -57.26292
   41    38 S   CA   _C9_    39     1.41017   119.82660    62.48936
   42    41 S   HA   _H7_    40     1.08749   120.56951    -1.04811
   43    39 S   CA   _C15    51     1.55245   109.12542  -179.48642
   44    39 S   CT   _C12    62     1.57941   109.30944    59.21648
   45    44 S   HC   _H8_    63     1.09922   111.83139   -63.04702
   46    44 S   HC   _H9_    64     1.09707   110.39941    54.11981
   47    41 S   CA   _C4_    41     1.39664   121.69336   179.13317
   48    47 S   HA   _H4_    42     1.08622   119.85623  -179.77100
   49    43 S   CA   _C16    52     1.41111   119.62006   -67.30140
   50    49 S   HA   _H12    53     1.08618   120.54717    -0.90590
   51    44 S   NA   _N4_    65     1.45468   116.94685   175.14304
   52    47 S   CA   _C5_    43     1.38866   120.02576     0.24066
   53    52 S   HA   _H5_    44     1.08590   120.17060  -180.00000
   54    49 S   CA   _C17    54     1.39656   121.75589   178.77907
   55    54 S   HA   _H13    55     1.08563   120.17712   179.78602
   56    51 S   CRA  _C13    66     1.36274   127.86842   -96.39788
   57    56 S   HA   _H10    67     1.08014   123.82807     4.05246
   58    52 S   CA   _C6_    45     1.39167   119.68229     0.32924
   59    58 S   HA   _H6_    46     1.08754   118.86917   179.50901
   60    54 S   CA   _C18    56     1.38644   119.45114    -0.35936
   61    60 S   F    F1__    57     1.34010   119.64803  -179.88809
   62    56 S   N5B  _N5_    68     1.31352   109.80872  -175.73975
   63    38 S   CA   _C7_    47     1.41095   122.95084  -117.56342
   64    63 S   Cl   Cl1_    48     1.73161   122.91330     1.85446
   65    60 S   CA   _C19    58     1.38728   120.74503    -0.13562
   66    65 S   HA   _H14    59     1.08531   120.21553  -179.64118
   67    62 S   CRB  _C14    69     1.36444   102.47573     1.27733
   68    67 S   HA   _H11    70     1.07992   123.16850   179.92087
   69    43 S   CA   _C20    60     1.41229   123.41271   110.54875
   70    69 S   HA   _H15    61     1.08746   121.07076     0.97317
   71    51 S   N5A  _N6_    71     1.34764   121.03753    91.11035
  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  13  16   7   8   4  13  10   4   3   6   3
   8   4   6   5   3   6   3   5   3   3   2   5   3   3   1   1
   3   2   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    63    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    58    63    64    39    40    43    49    69    44    45    46    51  
   38    41    63    39    40    43    44  
   36    37  
   37  
    0  
   41    42    47    48    52    58    59    63    64    39    40    43    44  
   40    43    49    50    54    65    69    70    44    45    46    51    56    71    41    63  
   43    49    69    44    45    46    51  
   42    47    48    52    53    58    63    64  
   47    48    52    63  
   49    50    54    55    60    65    66    69    70    44    45    46    51  
   45    46    51    56    57    62    67    71    49    69  
   46    51    56    71  
   51    56    71  
   48    52    53    58    59    63  
   52    53    58  
   50    54    55    60    61    65    69    70  
   54    55    60    69  
   56    57    62    67    68    71  
   53    58    59    63    64  
   58    59    63  
   55    60    61    65    66    69  
   60    61    65  
   57    62    67    68    71  
   62    67    71  
   59    63    64  
   63    64  
   61    65    66    69    70  
   65    66    69  
   67    68    71  
   64  
    0  
   66    69    70  
   69    70  
   68    71  
   71  
   70  
    0  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   4.2000   0.3000   0.095000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.2500   0.1700   0.065600   1.8000   1.6000   0.001000000  -0.511443539
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.277800   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.114600   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   62   3.2800   0.1700  -0.632900   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.528100   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.052500   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.2800   0.1700  -0.528200   1.8000   1.6000   0.001000000  -0.511443539
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    39   268.000  1.529
   38    41   469.000  1.400
   38    63   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   300.000  1.725
   39    40   570.000  1.307
   39    43   317.000  1.510
   39    44   268.000  1.529
   43    49   469.000  1.400
   43    69   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   420.000  1.354
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   320.000  1.443
   51    56   477.000  1.343
   51    71   400.000  1.349
   56    57   367.000  1.080
   56    62   488.000  1.335
   62    67   470.000  1.361
   67    68   395.000  1.080
   67    71   550.000  1.323
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    63    70.00000  120.00000
   33    39    40    50.00000  109.50000
   33    39    43    70.00000  112.17500
   33    39    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    63    58    63.00000  120.00000
   38    63    64    75.00000  120.00000
   41    47    48    35.00000  120.00000
   41    47    52    63.00000  120.00000
   47    41    42    35.00000  120.00000
   47    52    53    35.00000  120.00000
   47    52    58    63.00000  120.00000
   52    47    48    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    63    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    63    64    75.00000  120.00000
   63    38    41    63.00000  120.00000
   63    58    59    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    49    70.00000  120.00000
   39    43    69    70.00000  120.00000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    51    75.00000  111.19500
   43    39    40    85.00000  111.85700
   43    49    50    35.00000  120.00000
   43    49    54    63.00000  120.00000
   43    69    65    63.00000  120.00000
   43    69    70    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    60    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    60    61    80.00000  120.00000
   54    60    65    63.00000  120.00000
   60    54    55    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    69    63.00000  120.00000
   65    60    61    80.00000  120.00000
   65    69    70    35.00000  120.00000
   69    43    49    63.00000  120.00000
   69    65    66    35.00000  120.00000
   44    39    40    50.00000  109.50000
   44    39    43    70.00000  112.17500
   44    51    56    60.00000  127.66100
   44    51    71    75.00000  118.68000
   46    44    45    33.00000  107.80000
   51    44    45    50.00000  108.61900
   51    44    46    50.00000  108.61900
   51    56    57    35.00000  120.00000
   51    56    62    70.00000  120.00000
   51    71    67   115.00000  101.71600
   56    62    67   105.00000  102.26600
   62    56    57    35.00000  120.00000
   62    67    68    40.00000  123.47600
   62    67    71    85.00000  115.28900
   71    51    56    95.00000  110.06400
   71    67    68    45.00000  122.26300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    63  -0.16000  1.0 1.0
   29    33    38    63  -0.03200 -1.0 2.0
   29    33    38    63   0.04500  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    63    58   3.62500 -1.0 2.0
   33    38    63    64   3.62500 -1.0 2.0
   33    39    43    49   0.04150 -1.0 2.0
   33    39    43    69   0.04150 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    51  -0.64600  1.0 1.0
   33    39    44    51   0.58400 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    63   0.00000  1.0 1.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   0.43200  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    43  -0.94300  1.0 1.0
   38    33    39    43   1.32550 -1.0 2.0
   38    33    39    43  -0.07100  1.0 3.0
   38    33    39    44  -0.03700  1.0 1.0
   38    33    39    44   0.37200 -1.0 2.0
   38    33    39    44  -0.47300  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    52   3.62500 -1.0 2.0
   41    38    63    58   3.62500 -1.0 2.0
   41    38    63    64   3.62500 -1.0 2.0
   41    47    52    53   3.62500 -1.0 2.0
   41    47   -52    58   3.62500 -1.0 2.0
   42    41    47    48   3.62500 -1.0 2.0
   42    41    47    52   3.62500 -1.0 2.0
   47    52    58    59   3.62500 -1.0 2.0
   47    52    58    63   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    58   3.62500 -1.0 2.0
   52    58   -63    38   3.62500 -1.0 2.0
   52    58    63    64   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    63   3.62500 -1.0 2.0
   59    58    63    38   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   63    38    41    42   3.62500 -1.0 2.0
   63    38   -41    47   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    63   0.04150 -1.0 2.0
   39    43    49    50   3.62500 -1.0 2.0
   39    43    49    54   3.62500 -1.0 2.0
   39    43    69    65   3.62500 -1.0 2.0
   39    43    69    70   3.62500 -1.0 2.0
   39    44    51    56   1.10250  1.0 1.0
   39    44    51    56   0.01650 -1.0 2.0
   39    44    51    56   0.39100  1.0 3.0
   39    44    51    71   0.68100  1.0 1.0
   39    44    51    71   0.03350 -1.0 2.0
   39    44    51    71   0.36200  1.0 3.0
   40    39    43    49   0.64500  1.0 1.0
   40    39    43    49   0.14800 -1.0 2.0
   40    39    43    49   0.20650  1.0 3.0
   40    39    43    69   0.64500  1.0 1.0
   40    39    43    69   0.14800 -1.0 2.0
   40    39    43    69   0.20650  1.0 3.0
   40    39    44    45   0.23400  1.0 3.0
   40    39    44    46   0.23400  1.0 3.0
   40    39    44    51  -0.86350  1.0 1.0
   40    39    44    51   0.04750 -1.0 2.0
   43    39    44    45   0.43200  1.0 3.0
   43    39    44    46   0.43200  1.0 3.0
   43    39    44    51   0.56750  1.0 1.0
   43    39    44    51  -0.07550 -1.0 2.0
   43    39    44    51   0.20000  1.0 3.0
   43    49    54    55   3.62500 -1.0 2.0
   43    49    54    60   3.62500 -1.0 2.0
   49    43    69    65   3.62500 -1.0 2.0
   49    43    69    70   3.62500 -1.0 2.0
   49    54    60    61   3.62500 -1.0 2.0
   49    54   -60    65   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    60   3.62500 -1.0 2.0
   54    60    65    66   3.62500 -1.0 2.0
   54    60    65    69   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    65   3.62500 -1.0 2.0
   60    65   -69    43   3.62500 -1.0 2.0
   60    65    69    70   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    69   3.62500 -1.0 2.0
   66    65    69    43   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   69    43    49    50   3.62500 -1.0 2.0
   69    43   -49    54   3.62500 -1.0 2.0
   44    39    43    49   0.04150 -1.0 2.0
   44    39    43    69   0.04150 -1.0 2.0
   44    51    56    57   3.62500 -1.0 2.0
   44    51    56    62   3.62500 -1.0 2.0
   44    51    71    67   3.62500 -1.0 2.0
   45    44    51    56   0.00000  1.0 1.0
   45    44    51    71   0.00000  1.0 1.0
   46    44    51    56   0.00000  1.0 1.0
   46    44    51    71   0.00000  1.0 1.0
   51    56   -62    67   3.62500 -1.0 2.0
   56    51   -71    67   3.62500 -1.0 2.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62   -67    71   3.62500 -1.0 2.0
   57    56    62    67   3.62500 -1.0 2.0
   62    67   -71    51   3.62500 -1.0 2.0
   68    67    71    51   3.62500 -1.0 2.0
   71    51    56    57   3.62500 -1.0 2.0
   71    51   -56    62   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    63    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   52    48    47    41   1.10000 -1.0 2.0
   58    53    52    47   1.10000 -1.0 2.0
   63    59    58    52   1.10000 -1.0 2.0
   58    64    63    38   4.00000 -1.0 2.0
   49    69    43    39   4.00000 -1.0 2.0
   54    50    49    43   1.10000 -1.0 2.0
   60    55    54    49   1.10000 -1.0 2.0
   65    61    60    54   4.00000 -1.0 2.0
   69    66    65    60   1.10000 -1.0 2.0
   65    70    69    43   1.10000 -1.0 2.0
   56    71    51    44   4.00000 -1.0 2.0
   62    57    56    51   1.10000 -1.0 2.0
   71    68    67    62   1.10000 -1.0 2.0
END
