* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    138    216     414
    1     0 S   NP   _N1_     1    28.92129    94.71989   -19.85669
    2     1 S   H    _HN1     2     1.02789    79.95945  -101.57262
    3     1 S   H    _H1_     3     1.02855    90.22262     6.93274
    4     1 S   H    _H2_     4     1.02973    39.83319   124.24489
    5     1 S   CT   _CA1     5     1.50562   148.79521   141.99097
    6     5 S   HC   _HA1     6     1.09678   104.62753    51.76301
    7     5 S   CO3  _C1_     7     1.54463   110.84952   -64.05992
    8     7 S   O2Z  _O11     8     1.26106   116.80539  -121.88223
    9     7 S   O2Z  _O12     9     1.26559   113.74472    57.22383
   10     5 S   CT   _CB1    10     1.53069   106.98881   167.90887
   11    10 S   HC   HB11    11     1.09838   110.03431   -41.45160
   12    10 S   HC   HB12    12     1.09792   110.02772    75.13336
   13    10 S   CT   _CG1    13     1.53105   112.53752  -162.11513
   14    13 S   HC   HG11    14     1.09461   110.88818   -54.38136
   15    13 S   HC   HG12    15     1.09636   109.98413    64.62589
   16    13 S   C    _CD1    16     1.51778   111.87157  -175.33688
   17    16 S   O    _OE1    17     1.22760   123.10342   -10.25500
   18    16 S   N    _N2_    18     1.38599   111.89036   170.10453
   19    18 S   H    _HN2    19     1.01591   119.18587     1.94923
   20    18 S   CT1  _CA2    20     1.46259   123.14731  -176.84346
   21    20 S   HC   _HA2    21     1.09722   109.38770    -9.21171
   22    20 S   C    _C2_    22     1.53373   108.74647  -125.15177
   23    22 S   O    _O2_    23     1.23028   122.12248  -147.28946
   24    20 S   CT   _CB2    32     1.53447   111.24146   112.52858
   25    24 S   HC   HB21    33     1.09410   109.40090    60.29836
   26    24 S   HC   HB22    34     1.09525   110.59800   178.18922
   27    22 S   N    _N3_    24     1.38470   113.47225    40.10657
   28    27 S   H    _HN3    25     1.01522   118.90866    -0.69069
   29    24 S   S    _SG2    35     1.83050   111.56782   -62.40278
   30    27 S   CT   _CA3    26     1.45454   123.50956   175.18224
   31    30 S   HC   HA31    27     1.09519   109.32310    22.79125
   32    30 S   HC   HA32    28     1.09499   107.10337   139.79787
   33    29 S   CT   _C10    36     1.83758   100.32557   145.37187
   34    33 S   HC   _H3_    37     1.09735   106.10402    53.69753
   35    30 S   CO3  _C3_    29     1.52915   113.04104  -100.75120
   36    35 S   O2Z  _O31    30     1.26409   115.36810   -45.54903
   37    35 S   O2Z  _O32    31     1.26351   115.00842   135.37379
   38    33 S   CA   _C9_    38     1.52096   112.58110   -65.96329
   39    33 S   CT   _C11    51     1.53666   108.40856   169.46345
   40    39 S   HC   _H12    52     1.09759   112.22339    62.73847
   41    39 S   HC   _H13    53     1.09741   111.50053   -56.46070
   42    38 S   CA   _C4_    39     1.40627   119.11062   123.37145
   43    42 S   HA   _H9_    40     1.08785   120.32872    -1.22285
   44    39 S   CO4  _C12    54     1.51073   110.42598  -175.12066
   45    44 S   O    _O33    55     1.22381   123.86125    72.04001
   46    42 S   CA   _C5_    41     1.39571   120.97602   178.11083
   47    46 S   HA   _H10    42     1.08604   119.35337  -179.70926
   48    44 S   OS1  _O34    56     1.36199   109.76295  -105.11014
   49    46 S   CA   _C6_    43     1.39162   119.61999    -0.15826
   50    48 S   CO1  _C13    57     1.44176   116.33194   169.81288
   51    50 S   HC   _H4_    58     1.09833   108.81765    48.10956
   52    49 S   CA   _C7_    44     1.39220   120.18062     0.14265
   53    49 S   OH   _O41    49     1.36719   120.42047  -179.76677
   54    53 S   HO   _H21    50     0.97190   108.73658    -0.00000
   55    50 S   CT   _C14    59     1.53210   107.18405   167.59420
   56    55 S   HC   _H5_    60     1.09693   109.96326    51.21964
   57    38 S   CA   _C8_    45     1.40515   122.22071   -58.80899
   58    57 S   HA   _H11    46     1.08731   120.14516     1.41236
   59    52 S   OH   _O40    47     1.36702   119.00805  -179.95154
   60    59 S   HO   _H20    48     0.97610   109.34310  -176.71759
   61    55 S   CT   _C15    61     1.53049   111.23192   173.15656
   62    61 S   HC   _H6_    62     1.09664   110.29351    73.61193
   63    55 S   OH5  _O39    77     1.42925   109.84053   -65.40408
   64    63 S   HO   _H19    78     0.97232   108.25146   -63.16343
   65    61 S   CT   _C16    63     1.53167   111.29060   -49.06736
   66    65 S   HC   _H7_    64     1.09711   109.04508   -71.19522
   67    61 S   OH5  _O38    75     1.42935   109.60979  -170.47878
   68    67 S   HO   _H18    76     0.97257   108.13442    60.53267
   69    65 S   CT   _C17    65     1.53243   110.69199    50.04357
   70    69 S   HC   _H8_    66     1.09822   111.00468    64.29535
   71    65 S   OH5  _O37    73     1.42596   109.69510   171.95875
   72    71 S   HO   _H17    74     0.97254   108.21589   -57.89038
   73    50 S   OS1  _O35    67     1.42806   109.74105   -72.84456
   74    69 S   CT   _C18    68     1.53010   111.39903  -174.84725
   75    74 S   HC   _H14    69     1.09497   111.00507    68.60678
   76    74 S   HC   _H15    70     1.09400   111.50479   -53.69629
   77    74 S   OH5  _O36    71     1.42482   109.13511  -172.70115
   78    77 S   HO   _H16    72     0.97233   107.04281  -179.23972
  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  13   8   4   3   8   4   6   2   7   3   8
   7  13   6   6   3   1  12   7   3   1   1   1  13   7   4   1
  12   7   3   1   9   6   3   1   4   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    57    58    59    39    40    41    44  
   40    41    44    45    48    50    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    53  
   46    47    49    57  
   45    48    50    51    55    73  
   48    50  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    61    69    73    63  
   52    57    58    59    60    53    54  
   51    55    56    61    62    65    69    70    73    74    67    63    64  
   55    56    61    69    73    63  
   57    58    59    60    53    54  
   54    57    59  
    0  
   56    61    62    65    66    69    73    71    67    68    63    64  
   61    62    65    73    67    63    64  
   58    59    60  
   59  
   60  
    0  
   62    65    66    69    70    73    74    71    72    67    68    63    64  
   65    66    69    71    67    68    63  
   64    65    67    73  
    0  
   66    69    70    73    74    75    76    77    71    72    67    68  
   69    70    73    74    71    72    67  
   68    69    71  
    0  
   70    73    74    75    76    77    78    71    72  
   73    74    75    76    77    71  
   72    73    74  
    0  
   74    75    76    77  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   2.9000   0.1400  -0.280000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   370.000  1.399
   50    51   360.000  1.097
   50    55   255.000  1.525
   50    73   370.000  1.399
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   355.000  1.421
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   335.000  1.422
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   355.000  1.421
   77    78   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   63    64   580.000  0.967
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    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    60    35.00000  113.00000
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    60.00000  105.75400
   48    50    55    90.00000  109.70700
   48    50    73   110.00000  113.16000
   50    55    56    45.00000  109.54000
   50    55    61    70.00000  111.10000
   50    55    63    90.00000  109.42000
   50    73    69    90.00000  112.10700
   55    50    51    45.00000  111.65000
   55    61    62    37.50000  110.70000
   55    61    65    58.35000  112.70000
   55    61    67    90.00000  111.45300
   55    63    64    65.00000  108.53500
   61    55    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    69    58.35000  112.70000
   61    65    71    90.00000  111.45300
   61    67    68    65.00000  108.53500
   65    61    62    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    95.00000  107.88500
   65    69    74    58.35000  112.70000
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    90.00000  111.45300
   73    50    51    60.00000  105.75400
   73    50    55    90.00000  109.70700
   73    69    70    55.00000  108.98800
   74    69    70    37.50000  110.70000
   74    69    73    95.00000  107.88500
   74    77    78    65.00000  108.53500
   76    74    75    33.00000  107.80000
   77    74    75    60.00000  109.39000
   77    74    76    60.00000  109.39000
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    61    62    60.00000  109.39000
   67    61    65    90.00000  111.45300
   63    55    56    60.00000  109.39000
   63    55    61    90.00000  111.45300
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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    60   0.84100 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   57    52    59    60   0.84100 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    73  -0.24150  1.0 1.0
   44    48    50    73  -0.46200 -1.0 2.0
   44    48    50    73   0.11700  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    61   0.62750  1.0 1.0
   48    50    55    61  -0.30950 -1.0 2.0
   48    50    55    61   0.27300  1.0 3.0
   48    50    55    63   1.51850  1.0 1.0
   48    50    73    69  -0.70400  1.0 1.0
   48    50    73    69  -0.90350 -1.0 2.0
   50    55    61    62   0.15000  1.0 3.0
   50    55    61    65   0.56750  1.0 1.0
   50    55    61    65  -0.07550 -1.0 2.0
   50    55    61    65   0.20000  1.0 3.0
   50    55    61    67  -0.47750  1.0 1.0
   50    55    63    64   0.29150  1.0 1.0
   50    55    63    64  -0.28350 -1.0 2.0
   50    55    63    64   0.43600  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    61   0.15000  1.0 3.0
   51    50    55    63   0.23400  1.0 3.0
   51    50    73    69   0.37050  1.0 3.0
   55    50    73    69   0.06250  1.0 1.0
   55    50    73    69  -0.01100 -1.0 2.0
   55    50    73    69   0.28050  1.0 3.0
   55    61    65    66   0.15000  1.0 3.0
   55    61   -65    69   0.56750  1.0 1.0
   55    61   -65    69  -0.07550 -1.0 2.0
   55    61   -65    69   0.20000  1.0 3.0
   55    61    65    71  -0.47750  1.0 1.0
   55    61    67    68   0.29150  1.0 1.0
   55    61    67    68  -0.28350 -1.0 2.0
   55    61    67    68   0.43600  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    65   0.15000  1.0 3.0
   56    55    61    67   0.23400  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   61    55    63    64   0.29150  1.0 1.0
   61    55    63    64  -0.28350 -1.0 2.0
   61    55    63    64   0.43600  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    73   0.62750  1.0 1.0
   61    65    69    73  -0.30950 -1.0 2.0
   61    65    69    73   0.27300  1.0 3.0
   61    65    69    74   0.56750  1.0 1.0
   61    65    69    74  -0.07550 -1.0 2.0
   61    65    69    74   0.20000  1.0 3.0
   61    65    71    72   0.29150  1.0 1.0
   61    65    71    72  -0.28350 -1.0 2.0
   61    65    71    72   0.43600  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68   0.29150  1.0 1.0
   65    61    67    68  -0.28350 -1.0 2.0
   65    61    67    68   0.43600  1.0 3.0
   65    69   -73    50   0.06250  1.0 1.0
   65    69   -73    50  -0.01100 -1.0 2.0
   65    69   -73    50   0.28050  1.0 3.0
   65    69    74    75   0.15000  1.0 3.0
   65    69    74    76   0.15000  1.0 3.0
   65    69    74    77  -0.47750  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   66    65    69    74   0.15000  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    74    77    78   0.29150  1.0 1.0
   69    74    77    78  -0.28350 -1.0 2.0
   69    74    77    78   0.43600  1.0 3.0
   70    69    73    50   0.37050  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.23400  1.0 3.0
   73    50    55    56   0.23400  1.0 3.0
   73    50   -55    61   0.62750  1.0 1.0
   73    50   -55    61  -0.30950 -1.0 2.0
   73    50   -55    61   0.27300  1.0 3.0
   73    50    55    63   1.51850  1.0 1.0
   73    69    74    75   0.23400  1.0 3.0
   73    69    74    76   0.23400  1.0 3.0
   73    69    74    77   1.51850  1.0 1.0
   74    69    73    50   0.06250  1.0 1.0
   74    69    73    50  -0.01100 -1.0 2.0
   74    69    73    50   0.28050  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78   0.19450  1.0 3.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73   1.51850  1.0 1.0
   71    65    69    74  -0.47750  1.0 1.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69  -0.47750  1.0 1.0
   67    61    65    71   3.77950  1.0 1.0
   63    55    61    62   0.23400  1.0 3.0
   63    55    61    65  -0.47750  1.0 1.0
   63    55    61    67   3.77950  1.0 1.0
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
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
END
