* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    235     422
    1     0 S   NP   _N1_     1    28.42398    96.45112   -21.70330
    2     1 S   H    _HN1     2     1.02959    76.49831     6.80951
    3     1 S   H    _H1_     3     1.02833    38.34414   148.95757
    4     1 S   H    _H2_     4     1.02778    96.67232  -100.49621
    5     1 S   CT   _CA1     5     1.50133   145.02565   113.14650
    6     5 S   HC   _HA1     6     1.09574   105.21458    81.98773
    7     5 S   CO3  _C1_     7     1.53774   112.38641   -38.20532
    8     7 S   O2Z  _O11     8     1.26363   114.99550   -43.45870
    9     7 S   O2Z  _O12     9     1.26234   114.92320   135.64211
   10     5 S   CT   _CB1    10     1.53085   107.41066  -160.10617
   11    10 S   HC   HB11    11     1.09830   109.29489   -50.59365
   12    10 S   HC   HB12    12     1.09817   110.42545    65.93572
   13    10 S   CT   _CG1    13     1.53030   112.72164  -171.67786
   14    13 S   HC   HG11    14     1.09589   110.51715   -64.94741
   15    13 S   HC   HG12    15     1.09655   109.92036    54.29444
   16    13 S   C    _CD1    16     1.51819   112.24402   174.62892
   17    16 S   O    _OE1    17     1.22752   123.28982     1.17136
   18    16 S   N    _N2_    18     1.38613   111.80279  -178.87221
   19    18 S   H    _HN2    19     1.01595   119.01720     3.79194
   20    18 S   CT1  _CA2    20     1.45846   122.67952   177.35129
   21    20 S   HC   _HA2    21     1.09653   110.02767    20.70990
   22    20 S   C    _C2_    22     1.52658   104.60917   -97.03108
   23    22 S   O    _O2_    23     1.23024   122.34909   -78.70512
   24    20 S   CT   _CB2    32     1.53287   111.91466   144.08987
   25    24 S   HC   HB21    33     1.09406   110.10890    50.95942
   26    24 S   HC   HB22    34     1.09408   109.11358   169.97395
   27    22 S   N    _N3_    24     1.38364   113.10593    97.22575
   28    27 S   H    _HN3    25     1.01688   120.32403    -0.05595
   29    24 S   S    _SG2    35     1.82858   110.74679   -69.51051
   30    27 S   CT   _CA3    26     1.45353   122.41388  -178.17008
   31    30 S   HC   HA31    27     1.09570   107.73348   -56.68685
   32    30 S   HC   HA32    28     1.09569   107.64343    59.59086
   33    29 S   CT   _C21    36     1.88424   102.10051  -173.85615
   34    30 S   CO3  _C3_    29     1.52875   114.44797  -178.71854
   35    34 S   O2Z  _O31    30     1.26316   116.10460    -2.28910
   36    34 S   O2Z  _O32    31     1.26450   114.38299   177.76577
   37    33 S   CO4  _C20    37     1.51472   105.03099   -66.83162
   38    37 S   O    _O38    38     1.22557   124.30741   -78.16506
   39    33 S   CO4  _C22    69     1.52195   108.07274    56.50757
   40    39 S   O    _O36    70     1.23413   121.57377    49.11732
   41    33 S   C    _C23    73     1.54539   106.17273   173.29206
   42    41 S   O    _O37    74     1.23088   123.94391   -27.63396
   43    37 S   CO4  _C19    39     1.51014   118.55199    98.90190
   44    43 S   O    _O39    40     1.22538   117.29151  -154.47285
   45    41 S   N    _N4_    75     1.37578   115.03803   156.29108
   46    45 S   H    _H12    76     1.01473   124.42065    -0.68643
   47    45 S   H    _H13    77     1.01451   119.93331   177.89457
   48    43 S   CT   _C17    41     1.51737   119.21349    24.52765
   49    48 S   HC   _H3_    42     1.09962   105.07631  -109.91379
   50    48 S   CT   _C18    43     1.53258   110.65257   134.18323
   51    50 S   HC   _H10    44     1.09675   111.13717   171.88146
   52    50 S   HC   _H11    45     1.09577   107.43749    54.52258
   53    50 S   CA   _C6_    46     1.51654   110.83022   -66.75062
   54    53 S   CA   _C7_    47     1.40217   119.20288   -35.80670
   55    54 S   CA   _C8_    48     1.42388   122.57338   173.07360
   56    55 S   OM   _O34    49     1.28327   121.15906  -176.79674
   57    54 S   CO4  _C15    66     1.51184   116.73141    -9.17044
   58    57 S   O    _O35    67     1.23019   121.30714  -147.57281
   59    55 S   CA   _C9_    50     1.45817   116.90184     0.92873
   60    48 S   CT   _C16    68     1.51552   114.71788     9.32544
   61    59 S   CA   _C10    51     1.43962   121.51588     0.21489
   62    60 S   OH   _O40    71     1.43454   107.08626  -161.27942
   63    62 S   HO   _H14    72     0.97483   107.55739   177.20502
   64    53 S   CA   _C5_    52     1.41219   121.24310   144.31786
   65    61 S   CA   _C11    57     1.44625   116.98223  -174.84243
   66    65 S   Cl   Cl1_    58     1.74205   124.38166   169.08660
   67    64 S   CT   _C4_    53     1.51561   117.13142    14.10696
   68    67 S   HC   _H4_    54     1.09345   110.88537   -96.16732
   69    67 S   HC   _H5_    55     1.09519   112.04030    24.93174
   70    67 S   HC   _H6_    56     1.09378   110.94856   139.34001
   71    65 S   CA   _C12    59     1.39842   123.06894    -5.42614
   72    71 S   HA   _H7_    60     1.08737   121.29372  -179.49642
   73    71 S   CA   _C13    61     1.37270   119.78514     1.78816
   74    73 S   HA   _H8_    62     1.08610   120.17900   180.00000
   75    59 S   CA   _C14    63     1.43800   121.90731  -179.90309
   76    75 S   OH   _O33    64     1.37985   123.02150    -2.03778
   77    76 S   HO   _H9_    65     0.97476   107.56511     0.19077
  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  10   5   4   3
  15   2   1   1  12   5  14   5   6   3  10   4   2   1   1  12
   7  11   5   4  14  11  11   4   6   2  11   2  12   1   1   8
   7   3   3   2   1   1   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    60    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    57    60    39    40    62    41    42    45    46    47  
   35    36  
   36  
    0  
   38    43    44    48    49    50    60    39    40    41    42    45  
   43    44    48    39    41  
   40    62    63    41    42    45    43    48    49    50    54    57    58    60  
   62    41    48    57    60  
   42    45    46    47    43    60  
   45    46    47  
   44    48    49    50    51    52    53    57    60    62  
   48    49    50    60  
   46    47  
   47  
    0  
   49    50    51    52    53    54    64    57    58    60    62    63  
   50    51    52    53    57    60    62  
   51    52    53    54    55    61    64    67    57    60    62  
   52    53    54    64    60  
   53    54    64    60  
   54    55    56    59    61    64    67    68    69    70    65    57    58    60  
   55    56    59    61    64    67    75    57    58    60    62  
   56    59    61    64    65    73    75    76    57    58    60  
   59    61    75    57  
   58    60    62    63    59    64  
   60    62  
   61    64    67    65    66    71    73    74    75    76    77  
   62    63  
   64    67    68    69    70    65    66    71    72    73    75    76  
   63  
    0  
   67    68    69    70    65    66    71    75  
   66    71    72    73    74    75    67  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75    76    77  
   75    76  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   317.000  1.522
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   250.000  1.523
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    60   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   317.000  1.510
   53    54   469.000  1.400
   53    64   469.000  1.400
   54    55   469.000  1.400
   54    57   310.000  1.470
   55    56   450.000  1.364
   55    59   469.000  1.400
   59    61   469.000  1.400
   59    75   469.000  1.400
   61    64   469.000  1.400
   61    65   469.000  1.400
   64    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   65    66   300.000  1.725
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   57    58   570.000  1.229
   57    60   317.000  1.522
   60    39   317.000  1.522
   60    62   320.000  1.410
   39    40   570.000  1.229
   62    63   553.000  0.945
   41    42   570.000  1.229
   41    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  110.18000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.45000
   33    39    60    70.00000  116.00000
   33    39    40    80.00000  120.40000
   33    41    42    80.00000  120.40000
   33    41    45    70.00000  116.60000
   37    43    44    80.00000  119.30300
   37    43    48    65.00000  115.45000
   43    37    38    80.00000  119.30300
   43    48    49    35.00000  109.50000
   43    48    50    63.00000  111.10000
   43    48    60    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    60    57    63.00000  111.10000
   48    60    39    63.00000  111.10000
   48    60    62    50.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    54    70.00000  120.00000
   50    53    64    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    57    60.00000  119.52600
   53    64    61    63.00000  120.00000
   53    64    67    70.00000  120.00000
   54    55    56    70.00000  120.00000
   54    55    59    63.00000  120.00000
   54    57    58    75.00000  123.78400
   54    57    60    65.00000  115.47100
   55    59    61    63.00000  120.00000
   55    59    75    63.00000  120.00000
   59    55    56    70.00000  120.00000
   59    61    64    63.00000  120.00000
   59    61    65    63.00000  120.00000
   59    75    73    63.00000  120.00000
   59    75    76    70.00000  120.00000
   61    64    67    70.00000  120.00000
   61    65    66    75.00000  120.00000
   61    65    71    63.00000  120.00000
   64    53    54    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   65    61    64    63.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    63.00000  120.00000
   71    65    66    75.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  120.00000
   75    59    61    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   57    54    55    60.00000  119.52600
   57    60    39    75.00000  107.99600
   57    60    62    90.00000  109.61100
   60    48    49    37.50000  110.70000
   60    48    50    58.35000  112.70000
   60    57    58    80.00000  120.40000
   60    39    40    80.00000  120.40000
   60    62    63    55.00000  108.50000
   39    33    37    75.00000  107.99600
   62    60    39    90.00000  109.61100
   41    33    37    70.00000  107.85200
   41    33    39    70.00000  107.85200
   41    45    46    35.00000  119.80000
   41    45    47    35.00000  119.80000
   45    41    42    80.00000  122.90000
   47    45    46    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    60   0.65300  1.0 1.0
   29    33    39    60  -0.03850 -1.0 2.0
   29    33    39    60   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    45   0.00000  1.0 1.0
   33    37    43    44   0.49600 -1.0 2.0
   33    37    43    48   0.77650  1.0 1.0
   33    37    43    48   2.21050 -1.0 2.0
   33    41    45    46   2.45000 -1.0 2.0
   33    41    45    47   2.45000 -1.0 2.0
   37    33    39    60   0.65300  1.0 1.0
   37    33    39    60  -0.03850 -1.0 2.0
   37    33    39    60   0.33900  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    45   0.00000  1.0 1.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.65300  1.0 1.0
   37    43    48    50  -0.03850 -1.0 2.0
   37    43    48    50   0.33900  1.0 3.0
   37    43   -48    60   0.65300  1.0 1.0
   37    43   -48    60  -0.03850 -1.0 2.0
   37    43   -48    60   0.33900  1.0 3.0
   38    37    43    44   0.06100 -1.0 2.0
   38    37    43    48   0.49600 -1.0 2.0
   43    48    50    51  -0.11250  1.0 3.0
   43    48    50    52  -0.11250  1.0 3.0
   43    48    50    53   0.56750  1.0 1.0
   43    48    50    53  -0.07550 -1.0 2.0
   43    48    50    53   0.20000  1.0 3.0
   43    48    60    57   0.11950  1.0 1.0
   43    48    60    57   0.20300 -1.0 2.0
   43    48    60    57  -0.70800  1.0 3.0
   43    48    60    39   0.11950  1.0 1.0
   43    48    60    39   0.20300 -1.0 2.0
   43    48    60    39  -0.70800  1.0 3.0
   43    48    60    62  -0.09450  1.0 1.0
   43    48    60    62  -1.12950 -1.0 2.0
   43    48    60    62   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.30150 -1.0 2.0
   44    43    48    60   0.30150 -1.0 2.0
   48    50    53    54   0.04150 -1.0 2.0
   48    50    53    64   0.04150 -1.0 2.0
   48    60   -39    33   0.60050  1.0 1.0
   48    60   -39    33   0.05600 -1.0 2.0
   48    60   -39    33   0.26150  1.0 3.0
   48    60    39    40   0.30150 -1.0 2.0
   48    60    62    63  -0.11600  1.0 1.0
   48    60    62    63  -0.09450 -1.0 2.0
   48    60    62    63   0.21250  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    60    57  -0.11250  1.0 3.0
   49    48    60    39  -0.11250  1.0 3.0
   49    48    60    62   0.23400  1.0 3.0
   50    48    60    57  -0.95700  1.0 1.0
   50    48    60    57  -0.18200 -1.0 2.0
   50    48    60    57   0.29450  1.0 3.0
   50    48    60    39  -0.95700  1.0 1.0
   50    48    60    39  -0.18200 -1.0 2.0
   50    48    60    39   0.29450  1.0 3.0
   50    48    60    62   0.86500  1.0 1.0
   50    48    60    62  -0.17500 -1.0 2.0
   50    48    60    62   0.20800  1.0 3.0
   50    53    54    55   3.62500 -1.0 2.0
   50    53   -54    57   3.62500 -1.0 2.0
   50    53    64    61   3.62500 -1.0 2.0
   50    53    64    67   3.62500 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    64   0.00000  1.0 1.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    64   0.00000  1.0 1.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    57    58   1.05000 -1.0 2.0
   53    54    57    60   2.26350  1.0 1.0
   53    54    57    60   0.76750 -1.0 2.0
   53    54    57    60   0.22500  1.0 3.0
   53    64    67    68   0.00000  1.0 1.0
   53    64    67    69   0.00000  1.0 1.0
   53    64    67    70   0.00000  1.0 1.0
   54    53    64    61   3.62500 -1.0 2.0
   54    53    64    67   3.62500 -1.0 2.0
   54    55   -59    61   3.62500 -1.0 2.0
   54    55    59    75   3.62500 -1.0 2.0
   54    57   -60    48   0.05850 -1.0 2.0
   54    57   -60    48   0.17250  1.0 3.0
   54    57    60    39   0.65300  1.0 1.0
   54    57    60    39  -0.03850 -1.0 2.0
   54    57    60    39   0.33900  1.0 3.0
   54    57    60    62   0.65300  1.0 1.0
   54    57    60    62  -0.03850 -1.0 2.0
   54    57    60    62   0.33900  1.0 3.0
   55    54    57    58   1.05000 -1.0 2.0
   55    54    57    60   2.26350  1.0 1.0
   55    54    57    60   0.76750 -1.0 2.0
   55    54    57    60   0.22500  1.0 3.0
   55    59    61    64   3.62500 -1.0 2.0
   55    59    61    65   3.62500 -1.0 2.0
   55    59    75    73   3.62500 -1.0 2.0
   55    59    75    76   3.62500 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   56    55    59    75   3.62500 -1.0 2.0
   59    61   -64    53   3.62500 -1.0 2.0
   59    61    64    67   3.62500 -1.0 2.0
   59    61    65    66   3.62500 -1.0 2.0
   59    61    65    71   3.62500 -1.0 2.0
   59    75    76    77   0.84100 -1.0 2.0
   61    59    75    73   3.62500 -1.0 2.0
   61    59    75    76   3.62500 -1.0 2.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    69   0.00000  1.0 1.0
   61    64    67    70   0.00000  1.0 1.0
   61    65    71    72   3.62500 -1.0 2.0
   61    65   -71    73   3.62500 -1.0 2.0
   64    53   -54    55   3.62500 -1.0 2.0
   64    53    54    57   3.62500 -1.0 2.0
   64    61    65    66   3.62500 -1.0 2.0
   64    61    65    71   3.62500 -1.0 2.0
   65    61    64    53   3.62500 -1.0 2.0
   65    61    64    67   3.62500 -1.0 2.0
   65    71    73    74   3.62500 -1.0 2.0
   65    71    73    75   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    73   -75    59   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.84100 -1.0 2.0
   74    73    75    59   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    59    61    64   3.62500 -1.0 2.0
   75    59   -61    65   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    59   3.62500 -1.0 2.0
   57    60    39    33   0.65300  1.0 1.0
   57    60    39    33  -0.03850 -1.0 2.0
   57    60    39    33   0.33900  1.0 3.0
   57    60    39    40   0.30150 -1.0 2.0
   57    60    62    63   0.91850  1.0 1.0
   57    60    62    63   0.57950  1.0 3.0
   58    57    60    48   0.30150 -1.0 2.0
   58    57    60    39   0.30150 -1.0 2.0
   58    57    60    62   0.30150 -1.0 2.0
   60    48    50    51   0.15000  1.0 3.0
   60    48    50    52   0.15000  1.0 3.0
   60    48   -50    53  -0.03700  1.0 1.0
   60    48   -50    53   0.37200 -1.0 2.0
   60    48   -50    53  -0.47300  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    45   0.00000  1.0 1.0
   39    60    62    63   0.91850  1.0 1.0
   39    60    62    63   0.57950  1.0 3.0
   62    60    39    33   0.55300  1.0 1.0
   62    60    39    33   1.25850 -1.0 2.0
   62    60    39    33  -0.23600  1.0 3.0
   62    60    39    40   0.30150 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    60   0.65300  1.0 1.0
   41    33    39    60  -0.03850 -1.0 2.0
   41    33    39    60   0.33900  1.0 3.0
   41    33    39    40   0.30150 -1.0 2.0
   42    41    45    46   2.45000 -1.0 2.0
   42    41    45    47   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   54    64    53    50   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   59    56    55    54   4.00000 -1.0 2.0
   61    75    59    55   4.00000 -1.0 2.0
   64    65    61    59   4.00000 -1.0 2.0
   61    67    64    53   4.00000 -1.0 2.0
   71    66    65    61   4.00000 -1.0 2.0
   73    72    71    65   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    59   4.00000 -1.0 2.0
   54    60    57    58  10.50000 -1.0 2.0
   33    60    39    40  10.50000 -1.0 2.0
   33    45    41    42  10.50000 -1.0 2.0
   47    41    45    46   1.00000 -1.0 2.0
END
