* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    152    240     442
    1     0 S   NP   _N1_     1    28.75581    94.73013   -22.24766
    2     1 S   H    _HN1     2     1.02773    96.76150   -85.53162
    3     1 S   H    _H1_     3     1.02934    81.94699    22.25677
    4     1 S   H    _H2_     4     1.02845    32.98391   161.88896
    5     1 S   CT   _CA1     5     1.50095   141.41087   135.06644
    6     5 S   HC   _HA1     6     1.09565   105.23075    74.34814
    7     5 S   CO3  _C1_     7     1.53794   112.37287   -46.02004
    8     7 S   O2Z  _O11     8     1.26380   114.95715   -43.43932
    9     7 S   O2Z  _O12     9     1.26225   114.96159   135.73178
   10     5 S   CT   _CB1    10     1.53089   107.48905  -167.53017
   11    10 S   HC   HB11    11     1.09821   109.52261   -48.72664
   12    10 S   HC   HB12    12     1.09801   110.39018    68.01904
   13    10 S   CT   _CG1    13     1.52953   112.51902  -169.68828
   14    13 S   HC   HG11    14     1.09586   110.58510   -63.96592
   15    13 S   HC   HG12    15     1.09667   109.81328    55.21695
   16    13 S   C    _CD1    16     1.51795   112.32957   175.76608
   17    16 S   O    _OE1    17     1.22746   123.32908     5.77102
   18    16 S   N    _N2_    18     1.38648   111.56725  -174.70620
   19    18 S   H    _HN2    19     1.01602   119.01683     0.95736
   20    18 S   CT1  _CA2    20     1.46154   123.34969   179.13047
   21    20 S   HC   _HA2    21     1.09523   108.97167    -9.34788
   22    20 S   C    _C2_    22     1.53399   108.49682  -124.30249
   23    22 S   O    _O2_    23     1.23021   122.36454  -148.40825
   24    20 S   CT   _CB2    32     1.53384   111.63668   113.21040
   25    24 S   HC   HB21    33     1.09651   109.51181    58.66892
   26    24 S   HC   HB22    34     1.09535   111.38803   176.30339
   27    22 S   N    _N3_    24     1.38360   113.43800    39.17609
   28    27 S   H    _HN3    25     1.01636   119.47693    -3.68950
   29    24 S   S    _SG2    35     1.82692   113.38079   -60.46942
   30    27 S   CT   _CA3    26     1.45284   123.19767   176.91320
   31    30 S   HC   HA31    27     1.09549   107.57234   -63.15123
   32    30 S   HC   HA32    28     1.09556   107.91470    53.27774
   33    29 S   CT   _C24    36     1.83055    99.92379   -84.46451
   34    33 S   F    F1__    37     1.36541   108.17183   -67.49016
   35    33 S   F    F2__    38     1.36372   109.45696    46.27609
   36    30 S   CO3  _C3_    29     1.52950   114.06565   175.25356
   37    36 S   O2Z  _O31    30     1.26379   116.02638     0.29208
   38    36 S   O2Z  _O32    31     1.26422   114.42902  -179.66545
   39    33 S   CA   _C21    39     1.50969   110.17586   169.53454
   40    39 S   CA   _C22    40     1.39043   120.79989    89.36802
   41    40 S   HA   _H22    41     1.08679   120.84566     0.80211
   42    40 S   CA   _C23    42     1.38998   119.64868  -178.93137
   43    42 S   HA   _H23    43     1.08880   118.18030  -179.98022
   44    42 S   CA   _C18    44     1.40834   121.16404    -0.00000
   45    44 S   CA   _C19    45     1.40739   121.05159    -0.36262
   46    44 S   S    _S1_    59     1.77561   115.49071  -179.01842
   47    39 S   CA   _C20    46     1.40776   120.33050   -89.51314
   48    47 S   HA   _H21    47     1.08715   116.01618     0.35608
   49    45 S   NE   _N6_    48     1.42574   121.52343   179.91153
   50    49 S   CA   _C12    49     1.42608   125.66692   -11.17859
   51    49 S   CT   _C11    60     1.48380   117.19726   166.27988
   52    51 S   HC   _H15    61     1.09765   111.01795   -32.13644
   53    51 S   HC   _H16    62     1.09677   110.39599  -144.47946
   54    50 S   CA   _C13    50     1.41511   122.44017  -168.35246
   55    54 S   HA   _H17    51     1.08547   121.78853     0.17246
   56    51 S   CT   _C10    63     1.53713   111.91178    91.56410
   57    56 S   HC   _H13    64     1.09536   110.57304    59.45212
   58    56 S   HC   _H14    65     1.09591   110.04342   -56.45831
   59    54 S   CA   _C14    52     1.39914   122.66130   179.35715
   60    59 S   HA   _H18    53     1.08629   119.91751  -179.82529
   61    56 S   CT   _C9_    66     1.53156   112.57704  -177.14631
   62    61 S   HC   _H11    67     1.09638   109.26229   174.61097
   63    61 S   HC   _H12    68     1.09701   109.56204    58.52328
   64    59 S   CA   _C15    54     1.38348   119.96434    -0.03956
   65    64 S   HA   _H19    55     1.08555   120.47897   179.97202
   66    61 S   NE   _N5_    69     1.46323   112.07494   -64.60042
   67    64 S   CA   _C16    56     1.38903   119.16238    -0.00000
   68    67 S   HA   _H20    57     1.08866   118.25234   179.74359
   69    66 S   CM   _C7_    70     1.37547   123.27324   -70.80807
   70    69 S   HC   _H9_    71     1.08399   115.69135    -0.17246
   71    50 S   CA   _C17    58     1.40880   121.49417    10.79516
   72    69 S   CM   _C8_    72     1.33628   122.00120   179.44222
   73    72 S   HC   _H10    73     1.08574   119.96531  -179.67135
   74    72 S   NIP  _N4_    74     1.40741   122.13817    -0.14537
   75    74 S   CG   _C5_    75     1.29170   119.48124     1.86634
   76    75 S   HC   _H6_    76     1.10130   118.64732   179.89913
   77    74 S   CT   _C4_    80     1.47628   116.05949  -177.92717
   78    77 S   HC   _H3_    81     1.09400   108.74401    60.06790
   79    77 S   HC   _H4_    82     1.09398   108.73778   -60.63821
   80    77 S   HC   _H5_    83     1.09396   109.51465   179.71196
   81    66 S   CT   _C6_    77     1.46167   117.19951   112.92471
   82    81 S   HC   _H7_    78     1.09633   110.11087    62.36404
   83    81 S   HC   _H8_    79     1.09581   110.42153   -56.25131
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   7   3   9  11   8   4   1
  13  12  11   5   4   7   4   8   5   4   6   3  10   4   3   4
   3  10   2   1   9   4   1   9   3   9   8   4   4   2   1   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49  
   41    42    43    44    45    47    48    46  
   42    43    44    47  
   43    44    45    47    49    71    46  
   44    45    46  
   45    47    48    49    50    67    71    46    51  
   47    48    49    50    54    71    46    51    52    53    56  
   47    49    50    54    64    67    68    71  
   48    49    50    51  
   49  
   50    54    55    59    67    71    51    52    53    56    57    58    61  
   54    55    59    60    64    67    68    71    51    52    53    56  
   52    53    56    57    58    61    62    63    66    54    71  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    67    71  
   59    60    64    71  
   57    58    61    62    63    66    69    81  
   58    61    62    63    66  
   61    62    63    66  
   60    64    65    67    68    71  
   64    65    67  
   62    63    66    69    70    72    75    81    82    83  
   63    66    69    81  
   66    69    81  
   65    67    68    71  
   67    68    71  
   69    70    72    73    74    75    76    81    82    83  
   68    71  
   71  
   70    72    73    74    75    81    82    83    77  
   72    73    74    81  
    0  
   73    74    75    76    81    77    78    79    80  
   74    75    77  
   75    76    81    82    83    77    78    79    80  
   76    81    82    83    77    78    79    80  
   81    82    83    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83  
   83  
    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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.6000   0.3550  -0.305000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.488600   1.9050   1.6860   0.051222218  -2.220205820
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.2500   0.1700  -0.065700   2.0080   1.7800   0.003973653   1.685851020
   75   3.7500   0.1050  -0.072300   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.226700   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.451000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    46   250.000  1.760
   45    47   469.000  1.400
   45    49   481.000  1.340
   47    48   367.000  1.080
   49    50   481.000  1.340
   49    51   382.000  1.448
   50    54   469.000  1.400
   50    71   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    46   250.000  1.760
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   382.000  1.448
   66    69   425.000  1.378
   66    81   382.000  1.448
   69    70   340.000  1.080
   69    72   549.000  1.340
   72    73   340.000  1.080
   72    74   335.000  1.413
   74    75   635.000  1.286
   74    77   280.000  1.462
   75    76   385.000  1.083
   75    81   290.000  1.488
   81    82   340.000  1.090
   81    83   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    45    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    46    85.00000  119.40000
   44    42    43    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    45    49    70.00000  120.10000
   44    46    71    90.00000  100.00000
   45    47    48    35.00000  120.00000
   45    49    50    50.00000  129.00000
   45    49    51    50.00000  120.00000
   47    39    40    63.00000  120.00000
   49    45    47    70.00000  120.10000
   49    50    54    70.00000  120.10000
   49    50    71    70.00000  120.10000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    56    80.00000  111.61500
   50    54    55    35.00000  120.00000
   50    54    59    63.00000  120.00000
   50    71    67    63.00000  120.00000
   50    71    46    85.00000  119.40000
   54    59    60    35.00000  120.00000
   54    59    64    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    67    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   67    64    65    35.00000  120.00000
   67    71    46    85.00000  119.40000
   71    50    54    63.00000  120.00000
   71    67    68    35.00000  120.00000
   46    44    45    85.00000  119.40000
   51    49    50    50.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    66    80.00000  111.61500
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    66    69    50.00000  121.00000
   61    66    81    50.00000  115.00000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    69    70    50.00000  112.30800
   66    69    72    70.00000  124.03900
   66    81    75    80.00000  112.42400
   66    81    82    35.00000  109.50000
   66    81    83    35.00000  109.50000
   69    72    73    35.00000  120.00000
   69    72    74    70.00000  113.56000
   72    69    70    35.00000  120.00000
   72    74    75    70.00000  118.46000
   72    74    77    70.00000  121.00000
   74    72    73    45.00000  112.60000
   74    75    76    45.00000  118.03900
   74    75    81    70.00000  120.65200
   74    77    78    50.00000  106.46400
   74    77    79    50.00000  106.46400
   74    77    80    50.00000  106.46400
   75    81    82    45.00000  109.33400
   75    81    83    45.00000  109.33400
   81    66    69    50.00000  121.00000
   81    75    76    35.00000  121.91500
   83    81    82    33.00000  107.80000
   77    74    75    70.00000  122.59000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    45   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    45   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    46    71   0.25000 -1.0 2.0
   42    44    46    71   0.25000 -1.0 4.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -47    39   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    49    50   0.17750 -1.0 2.0
   44    45    49    51  -1.00000  1.0 1.0
   44    45    49    51   1.25000 -1.0 2.0
   45    44    46    71   0.25000 -1.0 2.0
   45    44    46    71   0.25000 -1.0 4.0
   45    49    50    54   0.17750 -1.0 2.0
   45    49   -50    71   0.17750 -1.0 2.0
   45    49    51    52   0.00000  1.0 1.0
   45    49    51    53   0.00000  1.0 1.0
   45    49    51    56  -0.12500  1.0 1.0
   45    49    51    56  -0.12500 -1.0 2.0
   45    49    51    56   0.25000  1.0 3.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    45    49    50   0.17750 -1.0 2.0
   47    45    49    51  -1.00000  1.0 1.0
   47    45    49    51   1.25000 -1.0 2.0
   49    45    47    39   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    59   3.62500 -1.0 2.0
   49    50    71    67   3.62500 -1.0 2.0
   49    50    71    46   3.62500 -1.0 2.0
   49    51    56    57   0.22950  1.0 3.0
   49    51    56    58   0.22950  1.0 3.0
   49    51    56    61   1.26750  1.0 1.0
   49    51    56    61  -0.00950 -1.0 2.0
   49    51    56    61   0.30600  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    56  -0.12500  1.0 1.0
   50    49    51    56  -0.12500 -1.0 2.0
   50    49    51    56   0.25000  1.0 3.0
   50    54    59    60   3.62500 -1.0 2.0
   50    54    59    64   3.62500 -1.0 2.0
   50    71   -46    44   0.25000 -1.0 2.0
   50    71   -46    44   0.25000 -1.0 4.0
   54    50    71    67   3.62500 -1.0 2.0
   54    50    71    46   3.62500 -1.0 2.0
   54    59    64    65   3.62500 -1.0 2.0
   54    59   -64    67   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    64    67    68   3.62500 -1.0 2.0
   59    64    67    71   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    67   3.62500 -1.0 2.0
   64    67   -71    50   3.62500 -1.0 2.0
   64    67    71    46   3.62500 -1.0 2.0
   65    64    67    68   3.62500 -1.0 2.0
   65    64    67    71   3.62500 -1.0 2.0
   67    71    46    44   0.25000 -1.0 2.0
   67    71    46    44   0.25000 -1.0 4.0
   68    67    71    50   3.62500 -1.0 2.0
   68    67    71    46   3.62500 -1.0 2.0
   71    50    54    55   3.62500 -1.0 2.0
   71    50   -54    59   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44   -45    49   3.62500 -1.0 2.0
   51    49    50    54  -1.00000  1.0 1.0
   51    49    50    54   1.25000 -1.0 2.0
   51    49    50    71  -1.00000  1.0 1.0
   51    49    50    71   1.25000 -1.0 2.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    66   1.26750  1.0 1.0
   51    56    61    66  -0.00950 -1.0 2.0
   51    56    61    66   0.30600  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    66    69   0.25450  1.0 1.0
   56    61    66    69  -0.61700 -1.0 2.0
   56    61    66    69  -0.23550  1.0 3.0
   56    61    66    81   0.00000  1.0 1.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    66   0.22950  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    66   0.22950  1.0 3.0
   61    66    69    70   0.00000  1.0 1.0
   61    66    69    72  -0.54700  1.0 1.0
   61    66    69    72   1.23000 -1.0 2.0
   61    66    81    75   0.00000  1.0 1.0
   61    66    81    82   0.00000  1.0 1.0
   61    66    81    83   0.00000  1.0 1.0
   62    61    66    69   0.00000  1.0 1.0
   62    61    66    81   0.00000  1.0 1.0
   63    61    66    69   0.00000  1.0 1.0
   63    61    66    81   0.00000  1.0 1.0
   66    69    72    73   7.00000 -1.0 2.0
   66    69    72    74   7.00000 -1.0 2.0
   69    66    81    75  -0.12500  1.0 1.0
   69    66    81    75  -0.12500 -1.0 2.0
   69    66    81    75   0.25000  1.0 3.0
   69    66    81    82   0.00000  1.0 1.0
   69    66    81    83   0.00000  1.0 1.0
   69    72   -74    75   5.00000 -1.0 2.0
   69    72    74    77   5.00000 -1.0 2.0
   70    69    72    73   7.00000 -1.0 2.0
   70    69    72    74   7.00000 -1.0 2.0
   72    74    75    76   2.00000 -1.0 2.0
   72    74    75    81   2.00000 -1.0 2.0
   72    74    77    78   0.00000  1.0 1.0
   72    74    77    79   0.00000  1.0 1.0
   72    74    77    80   0.00000  1.0 1.0
   73    72    74    75   5.00000 -1.0 2.0
   73    72    74    77   5.00000 -1.0 2.0
   74    75   -81    66   0.00000  1.0 1.0
   74    75    81    82   0.00000  1.0 1.0
   74    75    81    83   0.00000  1.0 1.0
   75    74    77    78  -0.22200  1.0 3.0
   75    74    77    79  -0.22200  1.0 3.0
   75    74    77    80  -0.22200  1.0 3.0
   76    75    81    66   0.00000  1.0 1.0
   76    75    81    82   0.33100  1.0 3.0
   76    75    81    83   0.33100  1.0 3.0
   81    66    69    70   0.00000  1.0 1.0
   81    66   -69    72  -0.54700  1.0 1.0
   81    66   -69    72   1.23000 -1.0 2.0
   77    74    75    76   2.00000 -1.0 2.0
   77    74    75    81   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   45    48    47    39   1.10000 -1.0 2.0
   51    45    49    50   1.00000 -1.0 2.0
   54    71    50    49   4.00000 -1.0 2.0
   59    55    54    50   1.10000 -1.0 2.0
   64    60    59    54   1.10000 -1.0 2.0
   67    65    64    59   1.10000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   67    46    71    50   4.00000 -1.0 2.0
   81    69    66    61   1.00000 -1.0 2.0
   66    70    69    72   1.10000 -1.0 2.0
   74    73    72    69   1.10000 -1.0 2.0
   72    77    74    75   1.00000 -1.0 2.0
   81    76    75    74  10.50000 -1.0 2.0
END
