* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    148    225     437
    1     0 S   NP   _N1_     1    28.62977    95.57791   -23.76472
    2     1 S   H    _HN1     2     1.02786   106.19219   -93.78947
    3     1 S   H    _H1_     3     1.02949    77.05727    11.87048
    4     1 S   H    _H2_     4     1.02828    32.69752   168.17115
    5     1 S   CT   _CA1     5     1.50113   135.21479   117.90404
    6     5 S   HC   _HA1     6     1.09572   105.19384    85.60810
    7     5 S   CO3  _C1_     7     1.53790   112.47636   -34.62758
    8     7 S   O2Z  _O11     8     1.26372   115.00690   -42.19188
    9     7 S   O2Z  _O12     9     1.26241   114.94960   136.94712
   10     5 S   CT   _CB1    10     1.53079   107.42133  -156.39953
   11    10 S   HC   HB11    11     1.09833   109.37726   -49.64178
   12    10 S   HC   HB12    12     1.09813   110.44308    66.97032
   13    10 S   CT   _CG1    13     1.52988   112.60495  -170.61758
   14    13 S   HC   HG11    14     1.09581   110.63101   -65.62288
   15    13 S   HC   HG12    15     1.09670   109.78579    53.60780
   16    13 S   C    _CD1    16     1.51799   112.23233   174.06875
   17    16 S   O    _OE1    17     1.22729   123.28600     6.87809
   18    16 S   N    _N2_    18     1.38651   111.66197  -173.19306
   19    18 S   H    _HN2    19     1.01575   118.92458     1.84281
   20    18 S   CT1  _CA2    20     1.46202   123.41039   177.59857
   21    20 S   HC   _HA2    21     1.09733   109.38436     3.47795
   22    20 S   C    _C2_    22     1.53558   108.58814  -112.05345
   23    22 S   O    _O2_    23     1.23061   122.28367  -147.39672
   24    20 S   CT   _CB2    32     1.53307   111.54152   125.52994
   25    24 S   HC   HB21    33     1.09511   109.96081    56.44842
   26    24 S   HC   HB22    34     1.09515   110.16983   175.42055
   27    22 S   N    _N3_    24     1.38331   113.71414    40.00804
   28    27 S   H    _HN3    25     1.01580   119.59081    -3.20845
   29    24 S   S    _SG2    35     1.82857   111.51749   -64.90974
   30    27 S   CT   _CA3    26     1.45285   123.21828   177.17146
   31    30 S   HC   HA31    27     1.09549   107.50102   -64.82173
   32    30 S   HC   HA32    28     1.09556   107.99709    51.61927
   33    29 S   CT   _C12    36     1.86906    99.53023  -179.73681
   34    33 S   HC   _H6_    37     1.09629   103.77403    42.53657
   35    30 S   CO3  _C3_    29     1.52962   114.07880   173.62102
   36    35 S   O2Z  _O31    30     1.26376   116.06966    -0.77278
   37    35 S   O2Z  _O32    31     1.26428   114.41203   179.29031
   38    33 S   CT   _C13    38     1.55101   107.28631   -74.45485
   39    38 S   HC   _H13    39     1.09793   110.96289    -0.73887
   40    38 S   HC   _H14    40     1.09348   110.64460  -115.70988
   41    33 S   CT   _C11    60     1.57880   110.42583   156.60953
   42    38 S   CT   _C14    41     1.54719   114.08665   119.09847
   43    42 S   HC   _H15    42     1.09640   111.24090   -26.76049
   44    42 S   HC   _H16    43     1.09745   109.32989  -142.79317
   45    41 S   CT   _C15    61     1.53303   114.33697    69.69293
   46    45 S   HC   _H17    62     1.09504   111.38627   -58.36861
   47    45 S   HC   _H18    63     1.09648   110.53625  -175.47649
   48    45 S   HC   _H19    64     1.09247   112.95916    63.62980
   49    41 S   OH   _O33    65     1.45111   105.81039   -47.51942
   50    49 S   HO   _H20    66     0.97254   108.28453   171.67081
   51    42 S   CM   _C5_    44     1.50981   110.29449    97.71181
   52    51 S   CM   _C6_    45     1.34610   119.22451   -91.67187
   53    52 S   HC   _H10    46     1.08871   118.53073    -9.24941
   54    51 S   CT   _C4_    77     1.50591   115.20733    81.51224
   55    54 S   HC   _H7_    78     1.09396   110.88429   -69.42294
   56    54 S   HC   _H8_    79     1.09226   113.16823   168.67298
   57    54 S   HC   _H9_    80     1.09558   109.96084    50.25920
   58    52 S   CT   _C7_    47     1.50592   125.12095   157.83166
   59    58 S   HC   _H3_    48     1.09419   112.09805    20.39169
   60    58 S   CT   _C8_    49     1.55660   110.48769  -101.29140
   61    60 S   HC   _H4_    50     1.09970   109.62879   -88.02171
   62    58 S   OS   _O36    70     1.44630   108.60172   140.70632
   63    60 S   CM   _C17    51     1.49601   114.74078   151.99783
   64    62 S   CO4  _C19    71     1.36342   117.21460   -85.63104
   65    64 S   O    _O37    72     1.22309   126.46283    -0.06256
   66    63 S   CO4  _C16    52     1.47581   109.30356  -142.89901
   67    66 S   O    _O35    53     1.21770   126.96385  -171.22542
   68    63 S   CM   _C18    67     1.33662   129.69780    36.40547
   69    68 S   HC   _H21    68     1.08443   121.32367     0.82591
   70    68 S   HC   _H22    69     1.08548   121.69111  -179.56165
   71    64 S   CT   _C20    73     1.49836   109.45941  -179.97202
   72    71 S   HC   _H23    74     1.09290   109.83390   -60.76520
   73    71 S   HC   _H24    75     1.09379   109.36288  -179.80021
   74    71 S   HC   _H25    76     1.09291   109.81580    61.14944
   75    66 S   OS   _O34    54     1.36021   107.38260     7.72116
   76    60 S   CT   _C9_    55     1.54275   115.05597    36.34541
   77    76 S   HC   _H5_    56     1.09246   112.22166    31.42536
   78    76 S   CT   _C10    57     1.53911   111.82854   -95.49886
   79    78 S   HC   _H11    58     1.10074   106.94731   -81.44219
   80    78 S   HC   _H12    59     1.09576   110.81970    31.05304
  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
  19   8   2   1   1  12   6   5  14  10   4   3   9   4   3   2
   5   1  10  13   5   4   2   1   1  14   6  15   8   8   9   5
   4   8   3   4   1   1   3   2   1   1   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    78    41    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    51    76    78    79    80    41    45    46    47    48    49    50  
   38    39    40    42    78    41    45    49  
   36    37  
   37  
    0  
   39    40    42    43    44    51    52    78    41    45    49    54  
   40    42    43    44    51    41  
   42    43    44    51    41  
   45    46    47    48    49    50    42    60    75    76    77    78    79    80  
   43    44    51    52    53    58    54    55    56    57  
   44    51    52    54  
   51    52    54  
   46    47    48    49    50    76    78    79    80  
   47    48    49    78  
   48    49    78  
   49    78  
   50    76    78    79    80  
   78  
   52    53    58    59    60    62    54    55    56    57  
   53    58    59    60    61    63    76    62    64    54    55    56    57  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    63    66    75    76    77    78    68    62    64    65    71  
   60    61    63    76    62    64  
   61    63    66    67    75    76    77    78    79    80    68    69    70    62    64  
   63    66    75    76    77    78    68    62  
   64    65    71    72    73    74    63    76  
   66    67    75    76    77    78    68    69    70  
   65    71    72    73    74  
   71    72    73    74  
   67    75    76    77    78    68    69    70  
   75    76    68  
   69    70    75    76  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   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    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    76   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    75   214.000  1.327
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    41   268.000  1.529
   41    45   268.000  1.529
   41    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   553.000  0.945
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    78    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    51    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    51    52    70.00000  124.00000
   42    51    54    65.00000  117.92700
   44    42    43    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    44    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  112.02700
   52    58    62    85.00000  110.90400
   58    52    53    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    63    70.00000  112.02700
   58    60    76    58.35000  112.70000
   58    62    64    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    76    75    50.00000  109.50000
   60    76    77    37.50000  110.70000
   60    76    78    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    75    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    75    76    83.00000  116.90000
   75    66    67    83.00000  123.40000
   75    76    77    35.00000  109.50000
   75    76    78    50.00000  109.50000
   76    60    61    37.50000  110.70000
   76    60    63    70.00000  112.02700
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    41    58.35000  112.70000
   78    76    77    37.50000  110.70000
   78    41    45    58.35000  112.70000
   78    41    49    50.00000  109.50000
   80    78    79    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    78    79    37.50000  110.70000
   41    78    80    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    50.00000  109.50000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    81.00000  111.40000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   71    64    65    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    78   0.44750  1.0 1.0
   29    33    41    78  -0.17800 -1.0 2.0
   29    33    41    78   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    51   0.34400  1.0 1.0
   33    38    42    51   0.09450 -1.0 2.0
   33    38    42    51   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    78   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    78   0.56750  1.0 1.0
   38    33    41    78  -0.07550 -1.0 2.0
   38    33    41    78   0.20000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    42    51    52   0.09850  1.0 1.0
   38    42    51    52   0.15250 -1.0 2.0
   38    42    51    52  -0.50650  1.0 3.0
   38    42    51    54   0.46850  1.0 1.0
   38    42    51    54   0.08550 -1.0 2.0
   38    42    51    54   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    51   0.15000  1.0 3.0
   42    51    52    53   7.00000 -1.0 2.0
   42    51    52    58   7.00000 -1.0 2.0
   42    51    54    55   0.34800  1.0 3.0
   42    51    54    56   0.34800  1.0 3.0
   42    51    54    57   0.34800  1.0 3.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    54   0.34800  1.0 3.0
   44    42    51    52   0.00000  1.0 1.0
   44    42    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.09850  1.0 1.0
   51    52    58    60   0.15250 -1.0 2.0
   51    52    58    60  -0.50650  1.0 3.0
   51    52    58    62   0.39000  1.0 1.0
   51    52    58    62  -0.05800 -1.0 2.0
   51    52    58    62  -0.55150  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    63   0.31000  1.0 1.0
   52    58    60    63   0.14700 -1.0 2.0
   52    58    60    63   0.07550  1.0 3.0
   52    58    60    76   0.34400  1.0 1.0
   52    58    60    76   0.09450 -1.0 2.0
   52    58    60    76   0.11100  1.0 3.0
   52    58    62    64  -0.82050  1.0 1.0
   52    58    62    64   0.00600 -1.0 2.0
   52    58    62    64   0.04400  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    62   0.00000  1.0 1.0
   58    60    63    66   0.09700  1.0 1.0
   58    60    63    66   0.15600 -1.0 2.0
   58    60    63    66  -0.50800  1.0 3.0
   58    60    63    68   0.09850  1.0 1.0
   58    60    63    68   0.15250 -1.0 2.0
   58    60    63    68  -0.50650  1.0 3.0
   58    60    76    75   0.62750  1.0 1.0
   58    60    76    75  -0.30950 -1.0 2.0
   58    60    76    75   0.27300  1.0 3.0
   58    60    76    77   0.15000  1.0 3.0
   58    60    76    78   0.56750  1.0 1.0
   58    60    76    78  -0.07550 -1.0 2.0
   58    60    76    78   0.20000  1.0 3.0
   58    62    64    65   3.00000 -1.0 2.0
   58    62    64    71   1.63150  1.0 1.0
   58    62    64    71   2.92000 -1.0 2.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    60    76   0.15000  1.0 3.0
   59    58    62    64   0.08050  1.0 3.0
   60    58    62    64  -0.25900  1.0 1.0
   60    58    62    64  -0.47000 -1.0 2.0
   60    58    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    75  -0.15000  1.0 1.0
   60    63   -66    75   0.89550 -1.0 2.0
   60    63   -66    75  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    76    78    79   0.15000  1.0 3.0
   60    76    78    80   0.15000  1.0 3.0
   60    76    78    41   0.56750  1.0 1.0
   60    76    78    41  -0.07550 -1.0 2.0
   60    76    78    41   0.20000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    76    75   0.23400  1.0 3.0
   61    60    76    77   0.15000  1.0 3.0
   61    60    76    78   0.15000  1.0 3.0
   63    60   -76    75   0.61850  1.0 1.0
   63    60   -76    75  -0.22750 -1.0 2.0
   63    60   -76    75   0.15300  1.0 3.0
   63    60    76    77   0.15000  1.0 3.0
   63    60    76    78   0.34400  1.0 1.0
   63    60    76    78   0.09450 -1.0 2.0
   63    60    76    78   0.11100  1.0 3.0
   63    66   -75    76   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    75   -76    60  -0.25900  1.0 1.0
   66    75   -76    60  -0.47000 -1.0 2.0
   66    75   -76    60   0.11750  1.0 3.0
   66    75    76    77   0.08050  1.0 3.0
   66    75    76    78  -0.25900  1.0 1.0
   66    75    76    78  -0.47000 -1.0 2.0
   66    75    76    78   0.11750  1.0 3.0
   67    66    75    76   3.00000 -1.0 2.0
   75    76    78    79   0.23400  1.0 3.0
   75    76    78    80   0.23400  1.0 3.0
   75    76    78    41   0.62750  1.0 1.0
   75    76    78    41  -0.30950 -1.0 2.0
   75    76    78    41   0.27300  1.0 3.0
   76    60   -63    66   0.09700  1.0 1.0
   76    60   -63    66   0.15600 -1.0 2.0
   76    60   -63    66  -0.50800  1.0 3.0
   76    60    63    68   0.09850  1.0 1.0
   76    60    63    68   0.15250 -1.0 2.0
   76    60    63    68  -0.50650  1.0 3.0
   76    78    41    33   0.56750  1.0 1.0
   76    78    41    33  -0.07550 -1.0 2.0
   76    78    41    33   0.20000  1.0 3.0
   76    78    41    45   0.56750  1.0 1.0
   76    78    41    45  -0.07550 -1.0 2.0
   76    78    41    45   0.20000  1.0 3.0
   76    78    41    49   0.86500  1.0 1.0
   76    78    41    49  -0.17500 -1.0 2.0
   76    78    41    49   0.20800  1.0 3.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    41   0.15000  1.0 3.0
   78    41    45    46   0.15000  1.0 3.0
   78    41    45    47   0.15000  1.0 3.0
   78    41    45    48   0.15000  1.0 3.0
   78    41    49    50  -0.11600  1.0 1.0
   78    41    49    50  -0.09450 -1.0 2.0
   78    41    49    50   0.21250  1.0 3.0
   79    78    41    33   0.15000  1.0 3.0
   79    78    41    45   0.15000  1.0 3.0
   79    78    41    49   0.23400  1.0 3.0
   80    78    41    33   0.15000  1.0 3.0
   80    78    41    45   0.15000  1.0 3.0
   80    78    41    49   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50  -0.11600  1.0 1.0
   45    41    49    50  -0.09450 -1.0 2.0
   45    41    49    50   0.21250  1.0 3.0
   49    41    45    46   0.23400  1.0 3.0
   49    41    45    47   0.23400  1.0 3.0
   49    41    45    48   0.23400  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    75  -0.56150  1.0 1.0
   68    63    66    75   2.19150 -1.0 2.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    63   0.61850  1.0 1.0
   62    58    60    63  -0.22750 -1.0 2.0
   62    58    60    63   0.15300  1.0 3.0
   62    58    60    76   0.62750  1.0 1.0
   62    58    60    76  -0.30950 -1.0 2.0
   62    58    60    76   0.27300  1.0 3.0
   62    64    71    72   0.00000  1.0 1.0
   62    64    71    73   0.00000  1.0 1.0
   62    64    71    74   0.00000  1.0 1.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.00000  1.0 1.0
   65    64    71    74   0.00000  1.0 1.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   42    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    75    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
END
