* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    151    252     454
    1     0 S   NP   _N1_     1    29.15680    94.61744   -25.24884
    2     1 S   H    _HN1     2     1.02946    77.10246    11.56925
    3     1 S   H    _H1_     3     1.02826    30.08484  -163.80802
    4     1 S   H    _H2_     4     1.02795   120.85285   -92.31678
    5     1 S   CT   _CA1     5     1.50130   120.65667   117.84214
    6     5 S   HC   _HA1     6     1.09574   105.15088    90.94734
    7     5 S   CO3  _C1_     7     1.53766   112.47153   -29.23638
    8     7 S   O2Z  _O11     8     1.26376   115.00321   -42.25871
    9     7 S   O2Z  _O12     9     1.26237   114.94490   136.72241
   10     5 S   CT   _CB1    10     1.53056   107.39848  -151.09661
   11    10 S   HC   HB11    11     1.09841   109.30947   -49.35966
   12    10 S   HC   HB12    12     1.09809   110.48572    67.23203
   13    10 S   CT   _CG1    13     1.53020   112.64624  -170.29362
   14    13 S   HC   HG11    14     1.09567   110.73666   -67.81771
   15    13 S   HC   HG12    15     1.09670   109.68742    51.42836
   16    13 S   C    _CD1    16     1.51816   111.96820   171.90245
   17    16 S   O    _OE1    17     1.22760   123.16683    12.96730
   18    16 S   N    _N2_    18     1.38638   111.84139  -166.98988
   19    18 S   H    _HN2    19     1.01569   119.04094     0.78534
   20    18 S   CT1  _CA2    20     1.46233   123.40079   176.39870
   21    20 S   HC   _HA2    21     1.09746   109.24019     8.42142
   22    20 S   C    _C2_    22     1.53732   109.00599  -107.04843
   23    22 S   O    _O2_    23     1.23091   122.23399  -150.13112
   24    20 S   CT   _CB2    32     1.53425   111.65383   130.38369
   25    24 S   HC   HB21    33     1.09538   109.77899    56.47709
   26    24 S   HC   HB22    34     1.09354   109.62383   175.17980
   27    22 S   N    _N3_    24     1.38310   113.94213    37.42547
   28    27 S   H    _HN3    25     1.01530   119.61666    -3.25834
   29    24 S   S    _SG2    35     1.83327   111.10701   -64.61233
   30    27 S   CT   _CA3    26     1.45274   123.30238   177.20740
   31    30 S   HC   HA31    27     1.09547   107.51744   -64.82068
   32    30 S   HC   HA32    28     1.09555   107.99686    51.64205
   33    29 S   CT   _C12    36     1.86068   101.55482  -177.44449
   34    33 S   OM   _O35    37     1.32372   108.79392   -63.12489
   35    30 S   CO3  _C3_    29     1.52979   114.03285   173.65026
   36    35 S   O2Z  _O31    30     1.26386   116.08946    -0.06561
   37    35 S   O2Z  _O32    31     1.26426   114.41414   179.98022
   38    33 S   CO4  _C13    38     1.54258   107.93973  -174.45617
   39    38 S   O    _O34    39     1.23107   123.93286    20.54677
   40    33 S   CT   _C11    52     1.55947   113.97762    60.61129
   41    40 S   HC   _H3_    53     1.10344   107.06713   -76.11869
   42    38 S   CA   _C7_    40     1.48834   118.14739  -161.49667
   43    40 S   CT   _C14    54     1.56926   117.18353    42.08347
   44    43 S   HC   _H8_    55     1.09690   107.35972   -57.03882
   45    42 S   CA   _C6_    41     1.40193   119.14431  -169.53153
   46    45 S   HA   _H6_    42     1.08716   121.09136    -0.76156
   47    43 S   CT   _C15    56     1.54460   111.82220  -171.78365
   48    47 S   HC   _H9_    57     1.09640   109.94408    53.27608
   49    47 S   HC   _H10    58     1.09599   110.58319   -64.91769
   50    45 S   CA   _C5_    43     1.39524   120.26535   178.66954
   51    50 S   HA   _H5_    44     1.08632   119.95062  -179.80218
   52    47 S   CT   _C16    59     1.52920   111.70410   174.38117
   53    52 S   HC   _H11    60     1.09717   109.25096   178.15559
   54    52 S   HC   _H12    61     1.09729   108.88469   -65.90246
   55    50 S   CA   _C4_    45     1.39235   120.02399    -0.06256
   56    55 S   HA   _H4_    46     1.08629   120.02659  -179.89913
   57    52 S   CT   _C17    62     1.53665   111.23539    56.51570
   58    57 S   HC   _H13    63     1.09959   107.02623    61.41324
   59    55 S   CA   _C9_    47     1.39471   119.98764     0.27340
   60    59 S   HA   _H7_    48     1.08713   118.75233   179.42020
   61    57 S   CA   _C20    64     1.51818   111.85471   179.47810
   62    57 S   CT   _C18    75     1.53661   110.86328   -54.92479
   63    62 S   HC   _H14    76     1.09745   110.70272   -66.70543
   64    62 S   HC   _H15    77     1.09727   109.96189   175.97771
   65    42 S   CA   _C8_    49     1.39531   121.22625     9.55378
   66    61 S   CA   _C21    65     1.40374   119.74480  -117.53699
   67    66 S   HA   _H18    66     1.08756   120.40864     0.00000
   68    43 S   CT   _C19    78     1.53847   115.37532    61.89983
   69    68 S   HC   _H16    79     1.09564   110.41907    62.16857
   70    68 S   HC   _H17    80     1.09363   110.82172   -56.74827
   71    65 S   CO4  _C10    50     1.47884   121.12730     2.81459
   72    71 S   O    _O33    51     1.22934   119.67930  -169.22674
   73    66 S   CA   _C22    67     1.39665   120.80855  -180.00000
   74    73 S   HA   _H19    68     1.08669   119.37758  -179.98022
   75    73 S   CA   _C23    69     1.39295   119.72515     0.00000
   76    75 S   Cl   Cl1_    70     1.72171   119.80828   180.00000
   77    75 S   CA   _C24    71     1.39294   120.38527     0.00000
   78    77 S   HA   _H20    72     1.08670   120.89975   180.00000
   79    61 S   CA   _C25    73     1.40387   121.70664    62.46977
   80    79 S   HA   _H21    74     1.08729   120.49530     0.02798
  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
  14   7   2   1   1  11   4  16   7  10  17   9   8   4  13   6
   5   6   3  11   5   4   5   3  14   7   4   2  13   7   4   3
   2   8   4   3   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    71    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    65    71    72    40    41    43    44    47    68  
   38    39    42    71    40    41    43  
   36    37  
   37  
    0  
   39    42    45    46    50    59    65    71    40    41    43  
   42    45    65    40  
   41    43    44    47    48    49    52    62    68    69    70    42    59    65    71    72  
   43    44    47    68    65    71    72  
   45    46    50    51    55    59    60    65    71    72  
   44    47    48    49    52    53    54    57    62    63    64    68    69    70    65    71    72  
   47    48    49    52    62    68    69    70    71  
   46    50    51    55    56    59    65    71  
   50    51    55    65  
   48    49    52    53    54    57    58    61    62    68    69    70    71  
   49    52    53    54    57    68  
   52    53    54    57    68  
   51    55    56    59    60    65  
   55    56    59  
   53    54    57    58    61    66    79    62    63    64    68  
   54    57    58    61    62  
   57    58    61    62  
   56    59    60    65    71  
   59    60    65  
   58    61    66    67    73    77    79    80    62    63    64    68    69    70  
   61    66    79    62    63    64    68  
   60    65    71    72  
   65    71  
   66    67    73    74    75    77    78    79    80    62    63    64    68  
   63    64    68    69    70    66    79  
   64    68    69    70  
   68    69    70  
   71    72  
   67    73    74    75    76    77    79    80  
   73    74    75    79  
   69    70    71  
   70  
    0  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    45   469.000  1.400
   42    65   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    71   310.000  1.470
   71    72   570.000  1.229
   71    40   317.000  1.522
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    68   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    61   317.000  1.510
   57    62   268.000  1.529
   61    66   469.000  1.400
   61    79   469.000  1.400
   66    67   367.000  1.080
   66    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   300.000  1.725
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    71    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   38    33    34    90.00000  108.74100
   38    42    45    60.00000  119.52600
   38    42    65    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    65    59    63.00000  120.00000
   42    65    71    60.00000  119.52600
   45    50    51    35.00000  120.00000
   45    50    55    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    59    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    65    71    60.00000  119.52600
   65    42    45    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    71    72    75.00000  123.78400
   65    71    40    65.00000  115.47100
   71    40    41    35.00000  109.50000
   71    40    43    63.00000  111.10000
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    71    72    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    47    58.35000  112.70000
   40    43    68    58.35000  112.70000
   43    40    41    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    58.35000  112.70000
   43    68    62    58.35000  112.70000
   43    68    69    37.50000  110.70000
   43    68    70    37.50000  110.70000
   47    43    44    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    61    70.00000  112.17500
   52    57    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    61    66    70.00000  120.00000
   57    61    79    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    58.35000  112.70000
   61    57    58    35.00000  109.50000
   61    66    67    35.00000  120.00000
   61    66    73    63.00000  120.00000
   61    79    77    63.00000  120.00000
   61    79    80    35.00000  120.00000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   73    66    67    35.00000  120.00000
   73    75    76    75.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    75.00000  120.00000
   77    79    80    35.00000  120.00000
   79    61    66    63.00000  120.00000
   79    77    78    35.00000  120.00000
   62    57    58    37.50000  110.70000
   62    57    61    70.00000  112.17500
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    43    44    37.50000  110.70000
   68    43    47    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   70    68    69    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    71   0.56750  1.0 1.0
   29    33    40    71  -0.07550 -1.0 2.0
   29    33    40    71   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    45   2.26350  1.0 1.0
   33    38    42    45   0.76750 -1.0 2.0
   33    38    42    45   0.22500  1.0 3.0
   33    38    42    65   2.26350  1.0 1.0
   33    38    42    65   0.76750 -1.0 2.0
   33    38    42    65   0.22500  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    47   0.56750  1.0 1.0
   33    40    43    47  -0.07550 -1.0 2.0
   33    40    43    47   0.20000  1.0 3.0
   33    40    43    68   0.56750  1.0 1.0
   33    40    43    68  -0.07550 -1.0 2.0
   33    40    43    68   0.20000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    71  -0.09450  1.0 1.0
   34    33    40    71  -1.12950 -1.0 2.0
   34    33    40    71   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.62750  1.0 1.0
   34    33    40    43  -0.30950 -1.0 2.0
   34    33    40    43   0.27300  1.0 3.0
   38    33    40    71   0.11950  1.0 1.0
   38    33    40    71   0.20300 -1.0 2.0
   38    33    40    71  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.95700  1.0 1.0
   38    33    40    43  -0.18200 -1.0 2.0
   38    33    40    43   0.29450  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   38    42    65    59   3.62500 -1.0 2.0
   38    42   -65    71   3.62500 -1.0 2.0
   39    38    42    45   1.05000 -1.0 2.0
   39    38    42    65   1.05000 -1.0 2.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    55   3.62500 -1.0 2.0
   42    65    71    72   1.05000 -1.0 2.0
   42    65    71    40   2.26350  1.0 1.0
   42    65    71    40   0.76750 -1.0 2.0
   42    65    71    40   0.22500  1.0 3.0
   45    42    65    59   3.62500 -1.0 2.0
   45    42    65    71   3.62500 -1.0 2.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50   -55    59   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    55   3.62500 -1.0 2.0
   50    55    59    60   3.62500 -1.0 2.0
   50    55    59    65   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    59   3.62500 -1.0 2.0
   55    59   -65    42   3.62500 -1.0 2.0
   55    59    65    71   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    65   3.62500 -1.0 2.0
   59    65    71    72   1.05000 -1.0 2.0
   59    65    71    40   2.26350  1.0 1.0
   59    65    71    40   0.76750 -1.0 2.0
   59    65    71    40   0.22500  1.0 3.0
   60    59    65    42   3.62500 -1.0 2.0
   60    59    65    71   3.62500 -1.0 2.0
   65    42    45    46   3.62500 -1.0 2.0
   65    42   -45    50   3.62500 -1.0 2.0
   65    71   -40    33   0.05850 -1.0 2.0
   65    71   -40    33   0.17250  1.0 3.0
   65    71    40    41   0.00000  1.0 1.0
   65    71    40    43   0.05850 -1.0 2.0
   65    71    40    43   0.17250  1.0 3.0
   71    40    43    44  -0.11250  1.0 3.0
   71    40    43    47  -0.95700  1.0 1.0
   71    40    43    47  -0.18200 -1.0 2.0
   71    40    43    47   0.29450  1.0 3.0
   71    40    43    68  -0.95700  1.0 1.0
   71    40    43    68  -0.18200 -1.0 2.0
   71    40    43    68   0.29450  1.0 3.0
   72    71    40    33   0.30150 -1.0 2.0
   72    71    40    41   0.00000  1.0 1.0
   72    71    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    49   0.15000  1.0 3.0
   40    43    47    52   0.56750  1.0 1.0
   40    43    47    52  -0.07550 -1.0 2.0
   40    43    47    52   0.20000  1.0 3.0
   40    43    68    62   0.56750  1.0 1.0
   40    43    68    62  -0.07550 -1.0 2.0
   40    43    68    62   0.20000  1.0 3.0
   40    43    68    69   0.15000  1.0 3.0
   40    43    68    70   0.15000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    47   0.15000  1.0 3.0
   41    40    43    68   0.15000  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    54   0.15000  1.0 3.0
   43    47    52    57   0.56750  1.0 1.0
   43    47    52    57  -0.07550 -1.0 2.0
   43    47    52    57   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    68    62   0.15000  1.0 3.0
   44    43    68    69   0.15000  1.0 3.0
   44    43    68    70   0.15000  1.0 3.0
   47    43    68    62   0.56750  1.0 1.0
   47    43    68    62  -0.07550 -1.0 2.0
   47    43    68    62   0.20000  1.0 3.0
   47    43    68    69   0.15000  1.0 3.0
   47    43    68    70   0.15000  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    61  -0.03700  1.0 1.0
   47    52    57    61   0.37200 -1.0 2.0
   47    52    57    61  -0.47300  1.0 3.0
   47    52   -57    62   0.56750  1.0 1.0
   47    52   -57    62  -0.07550 -1.0 2.0
   47    52   -57    62   0.20000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   52    57    61    66   0.04150 -1.0 2.0
   52    57    61    79   0.04150 -1.0 2.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    68   0.56750  1.0 1.0
   52    57    62    68  -0.07550 -1.0 2.0
   52    57    62    68   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    61   0.43200  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    61   0.43200  1.0 3.0
   54    52    57    62   0.15000  1.0 3.0
   57    61    66    67   3.62500 -1.0 2.0
   57    61    66    73   3.62500 -1.0 2.0
   57    61    79    77   3.62500 -1.0 2.0
   57    61    79    80   3.62500 -1.0 2.0
   57    62   -68    43   0.56750  1.0 1.0
   57    62   -68    43  -0.07550 -1.0 2.0
   57    62   -68    43   0.20000  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    70   0.15000  1.0 3.0
   58    57    61    66   0.00000  1.0 1.0
   58    57    61    79   0.00000  1.0 1.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   61    57    62    63   0.43200  1.0 3.0
   61    57    62    64   0.43200  1.0 3.0
   61    57    62    68  -0.03700  1.0 1.0
   61    57    62    68   0.37200 -1.0 2.0
   61    57    62    68  -0.47300  1.0 3.0
   61    66    73    74   3.62500 -1.0 2.0
   61    66    73    75   3.62500 -1.0 2.0
   66    61    79    77   3.62500 -1.0 2.0
   66    61    79    80   3.62500 -1.0 2.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73   -75    77   3.62500 -1.0 2.0
   67    66    73    74   3.62500 -1.0 2.0
   67    66    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    61   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    61   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    61    66    67   3.62500 -1.0 2.0
   79    61   -66    73   3.62500 -1.0 2.0
   62    57    61    66   0.04150 -1.0 2.0
   62    57    61    79   0.04150 -1.0 2.0
   63    62    68    43   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   64    62    68    43   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   68    43    47    48   0.15000  1.0 3.0
   68    43    47    49   0.15000  1.0 3.0
   68    43   -47    52   0.56750  1.0 1.0
   68    43   -47    52  -0.07550 -1.0 2.0
   68    43   -47    52   0.20000  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    42    38    39  10.50000 -1.0 2.0
   45    65    42    38   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   59    56    55    50   1.10000 -1.0 2.0
   65    60    59    55   1.10000 -1.0 2.0
   59    71    65    42   4.00000 -1.0 2.0
   65    40    71    72  10.50000 -1.0 2.0
   66    79    61    57   4.00000 -1.0 2.0
   73    67    66    61   1.10000 -1.0 2.0
   75    74    73    66   1.10000 -1.0 2.0
   77    76    75    73   4.00000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    61   1.10000 -1.0 2.0
END
