* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    161    244     475
    1     0 S   NP   _N1_     1    28.75174    95.88963   -24.68770
    2     1 S   H    _HN1     2     1.02826    33.29845   179.40062
    3     1 S   H    _H1_     3     1.02795   116.80883   -98.77935
    4     1 S   H    _H2_     4     1.02946    73.88169     4.03231
    5     1 S   CT   _CA1     5     1.50126   126.23301   107.82097
    6     5 S   HC   _HA1     6     1.09574   105.15242    93.06334
    7     5 S   CO3  _C1_     7     1.53764   112.52693   -27.12323
    8     7 S   O2Z  _O11     8     1.26374   115.00337   -41.23499
    9     7 S   O2Z  _O12     9     1.26241   114.94466   137.81430
   10     5 S   CT   _CB1    10     1.53061   107.40696  -148.96356
   11    10 S   HC   HB11    11     1.09842   109.29736   -49.40357
   12    10 S   HC   HB12    12     1.09810   110.47649    67.18346
   13    10 S   CT   _CG1    13     1.53024   112.66238  -170.35115
   14    13 S   HC   HG11    14     1.09567   110.73487   -67.98418
   15    13 S   HC   HG12    15     1.09670   109.68868    51.26766
   16    13 S   C    _CD1    16     1.51808   111.99267   171.73770
   17    16 S   O    _OE1    17     1.22754   123.17681    12.70410
   18    16 S   N    _N2_    18     1.38634   111.84685  -167.22045
   19    18 S   H    _HN2    19     1.01563   118.94996     1.15318
   20    18 S   CT1  _CA2    20     1.46249   123.40799   176.20079
   21    20 S   HC   _HA2    21     1.09732   109.39776     8.44415
   22    20 S   C    _C2_    22     1.53621   108.27519  -107.12915
   23    22 S   O    _O2_    23     1.23041   122.36276  -143.95772
   24    20 S   CT   _CB2    32     1.53303   111.72073   130.63650
   25    24 S   HC   HB21    33     1.09478   109.94012    57.30570
   26    24 S   HC   HB22    34     1.09544   109.91953   176.17479
   27    22 S   N    _N3_    24     1.38357   113.70697    43.11097
   28    27 S   H    _HN3    25     1.01538   119.65167    -2.17862
   29    24 S   S    _SG2    35     1.82744   111.58475   -63.97535
   30    27 S   CT   _CA3    26     1.45294   123.28268   177.63454
   31    30 S   HC   HA31    27     1.09543   107.43090   -67.49050
   32    30 S   HC   HA32    28     1.09555   108.11348    49.00618
   33    29 S   CT   _C11    36     1.84365    99.62199  -174.39227
   34    33 S   HC   _H4_    37     1.09492   106.13740    40.53151
   35    30 S   CO3  _C3_    29     1.52989   114.00494   171.09947
   36    35 S   O2Z  _O31    30     1.26392   116.08157     0.25023
   37    35 S   O2Z  _O32    31     1.26427   114.44618  -179.67254
   38    33 S   CM   _C12    38     1.50912   108.46142   156.11000
   39    33 S   CT   _C10    66     1.53943   110.51793   -76.51229
   40    39 S   HC   _H17    67     1.09719   110.35671    54.73784
   41    39 S   HC   _H18    68     1.09830   110.85668   -59.91617
   42    38 S   CMA  _C13    39     1.35218   129.86841    77.23052
   43    42 S   OM   _O35    40     1.25450   137.38306    -2.27271
   44    39 S   CT   _C9_    69     1.53791   114.75140   177.10072
   45    44 S   HC   _H3_    70     1.09575   109.37950    67.16551
   46    42 S   CM   _C14    41     1.45356   108.36806   177.11120
   47    46 S   HC   _H19    42     1.08117   125.12430  -179.91844
   48    44 S   CT   _C8_    71     1.53691   115.56825   -55.83012
   49    48 S   HC   _H15    72     1.09523   109.90721    67.64100
   50    48 S   HC   _H16    73     1.09780   108.29965  -176.34355
   51    44 S   OH   _O36    87     1.43071   107.30072  -177.57828
   52    51 S   HO   _H31    88     0.97229   107.40981  -174.24245
   53    46 S   CM   _C15    43     1.33964   110.51079    -0.61834
   54    53 S   HC   _H20    44     1.07957   125.10082  -179.02864
   55    48 S   CT   _C7_    74     1.53322   114.28792   -55.79105
   56    55 S   HC   _H13    75     1.09627   109.93454   -55.74435
   57    55 S   HC   _H14    76     1.09556   110.08063    62.21257
   58    38 S   CT   _C16    45     1.52426   120.26283  -106.46532
   59    58 S   HC   _H5_    46     1.09720   108.91939   -62.24610
   60    55 S   CT   _C6_    77     1.53080   111.14106  -177.05915
   61    60 S   HC   _H11    78     1.09677   109.52571    60.51857
   62    60 S   HC   _H12    79     1.09679   109.63551   -56.76081
   63    58 S   CT   _C17    47     1.53667   113.56388    61.61424
   64    63 S   HC   _H21    48     1.09833   110.85045    67.95560
   65    63 S   HC   _H22    49     1.09605   110.87159   -48.50870
   66    60 S   CT   _C5_    80     1.52855   111.28658  -178.08255
   67    66 S   HC   _H9_    81     1.09628   109.82506    60.04016
   68    66 S   HC   _H10    82     1.09619   109.89099   -57.66426
   69    63 S   CM   _C18    50     1.50473   112.44817  -170.46265
   70    69 S   HC   _H23    51     1.08797   116.09139   -93.95116
   71    66 S   CT   _C4_    83     1.52021   111.53867  -178.80057
   72    71 S   HC   _H6_    84     1.09467   110.96539    60.91095
   73    71 S   HC   _H7_    85     1.09447   110.25483  -179.37568
   74    71 S   HC   _H8_    86     1.09424   111.10273   -59.58125
   75    69 S   CM   _C19    52     1.34257   125.90698    87.46032
   76    75 S   HC   _H24    53     1.08835   117.71608   178.55734
   77    75 S   CT   _C20    54     1.50265   126.44231    -3.38986
   78    77 S   HC   _H25    55     1.09705   108.07245  -128.88146
   79    77 S   HC   _H26    56     1.09516   111.53584   -12.73600
   80    77 S   CT   _C21    57     1.52880   111.65684   110.33473
   81    80 S   HC   _H27    58     1.09747   109.81697    58.48331
   82    80 S   HC   _H28    59     1.09756   109.79844   -58.66664
   83    80 S   CT   _C22    60     1.52576   111.02814  -179.97202
   84    83 S   HC   _H29    61     1.09719   109.41592    60.26632
   85    83 S   HC   _H30    62     1.09699   109.29743   -56.99702
   86    83 S   CO3  _C23    63     1.53113   115.48613  -178.30638
   87    86 S   O2Z  _O34    64     1.26523   114.00827   177.37043
   88    86 S   O2Z  _O33    65     1.26127   116.63890    -2.52057
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  16  12   5   4   8   4  10   6   6   3  11
   6   5   2   1   7   3   9   5   4   7   4   9   5   4   7   4
   3   6   5   4   7   3   3   2   1   1   8   4   9   5   4   8
   5   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    58    59    63    39    40    41    44    45    48    51  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    53    54    58    59    63    64    65    69    39    40    41    44  
   40    41    44    45    48    49    50    55    51    52    42    58  
   41    44    45    48    51  
   44    45    48    51  
   43    46    47    53    54    58    59    63  
   46    47    53    58  
   45    48    49    50    55    56    57    60    51    52  
   48    49    50    55    51    52  
   47    53    54    58    59    63  
   53    54    58  
   49    50    55    56    57    60    61    62    66    51    52  
   50    55    56    57    60    51  
   55    56    57    60    51  
   52    55  
    0  
   54    58    59    63    64    65    69  
   58    59    63  
   56    57    60    61    62    66    67    68    71  
   57    60    61    62    66  
   60    61    62    66  
   59    63    64    65    69    70    75  
   63    64    65    69  
   61    62    66    67    68    71    72    73    74  
   62    66    67    68    71  
   66    67    68    71  
   64    65    69    70    75    76    77  
   65    69    70    75  
   69    70    75  
   67    68    71    72    73    74  
   68    71    72    73    74  
   71    72    73    74  
   70    75    76    77    78    79    80  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82    83  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   465.000  1.376
   38    58   317.000  1.510
   42    43   745.000  1.250
   42    46   465.000  1.376
   46    47   340.000  1.080
   46    53   549.000  1.340
   53    54   340.000  1.080
   53    58   317.000  1.510
   58    59   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.510
   69    70   340.000  1.080
   69    75   549.000  1.340
   75    76   340.000  1.080
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   317.000  1.522
   86    87   656.000  1.250
   86    88   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   51    52   553.000  0.945
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    58    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    70.00000  123.01800
   38    58    53    70.00000  110.12100
   38    58    59    35.00000  109.50000
   38    58    63    70.00000  112.02700
   42    46    47    40.00000  120.50800
   42    46    53    70.00000  117.34000
   46    42    43    65.00000  137.10300
   46    53    54    35.00000  120.00000
   46    53    58    70.00000  124.00000
   53    46    47    35.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    63    70.00000  112.02700
   58    38    42    70.00000  124.00000
   58    53    54    35.00000  117.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    69    70.00000  112.02700
   63    58    59    37.50000  110.70000
   63    69    70    35.00000  117.00000
   63    69    75    70.00000  124.00000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    75    76    35.00000  120.00000
   69    75    77    70.00000  124.00000
   75    69    70    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    70.00000  112.02700
   77    75    76    35.00000  117.00000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    70.00000  109.69300
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    70.00000  117.00000
   83    86    88    70.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   88    86    87    80.00000  126.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    48    58.35000  112.70000
   39    44    51    50.00000  109.50000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    55    58.35000  112.70000
   44    51    52    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    60    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    66    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    48    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    58   0.30250  1.0 1.0
   29    33    38    58  -0.14950 -1.0 2.0
   29    33    38    58   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    38    58    53   0.09700  1.0 1.0
   33    38    58    53   0.15600 -1.0 2.0
   33    38    58    53  -0.50800  1.0 3.0
   33    38    58    59   0.34800  1.0 3.0
   33    38    58    63   0.46850  1.0 1.0
   33    38    58    63   0.08550 -1.0 2.0
   33    38    58    63   0.09800  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    51   0.86500  1.0 1.0
   33    39    44    51  -0.17500 -1.0 2.0
   33    39    44    51   0.20800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    44   0.34400  1.0 1.0
   38    33    39    44   0.09450 -1.0 2.0
   38    33    39    44   0.11100  1.0 3.0
   38    42    46    47   7.00000 -1.0 2.0
   38    42   -46    53   7.00000 -1.0 2.0
   38    58    63    64   0.15000  1.0 3.0
   38    58    63    65   0.15000  1.0 3.0
   38    58    63    69   0.31000  1.0 1.0
   38    58    63    69   0.14700 -1.0 2.0
   38    58    63    69   0.07550  1.0 3.0
   42    38   -58    53  -0.28300  1.0 1.0
   42    38   -58    53   0.26700 -1.0 2.0
   42    38   -58    53  -0.63300  1.0 3.0
   42    38    58    59   0.00000  1.0 1.0
   42    38    58    63   0.09850  1.0 1.0
   42    38    58    63   0.15250 -1.0 2.0
   42    38    58    63  -0.50650  1.0 3.0
   42    46    53    54   7.00000 -1.0 2.0
   42    46   -53    58   7.00000 -1.0 2.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    53   7.00000 -1.0 2.0
   46    53   -58    38  -0.28300  1.0 1.0
   46    53   -58    38   0.26700 -1.0 2.0
   46    53   -58    38  -0.63300  1.0 3.0
   46    53    58    59   0.00000  1.0 1.0
   46    53    58    63   0.09850  1.0 1.0
   46    53    58    63   0.15250 -1.0 2.0
   46    53    58    63  -0.50650  1.0 3.0
   47    46    53    54   7.00000 -1.0 2.0
   47    46    53    58   7.00000 -1.0 2.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    69   0.31000  1.0 1.0
   53    58    63    69   0.14700 -1.0 2.0
   53    58    63    69   0.07550  1.0 3.0
   54    53    58    38   0.00000  1.0 1.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    63   0.00000  1.0 1.0
   58    38    42    43   7.00000 -1.0 2.0
   58    38   -42    46   7.00000 -1.0 2.0
   58    63    69    70   0.00000  1.0 1.0
   58    63    69    75   0.09850  1.0 1.0
   58    63    69    75   0.15250 -1.0 2.0
   58    63    69    75  -0.50650  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   63    69    75    76   7.00000 -1.0 2.0
   63    69    75    77   7.00000 -1.0 2.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    75   0.00000  1.0 1.0
   65    63    69    70   0.33100  1.0 3.0
   65    63    69    75   0.00000  1.0 1.0
   69    75    77    78   0.00000  1.0 1.0
   69    75    77    79   0.00000  1.0 1.0
   69    75    77    80   0.09850  1.0 1.0
   69    75    77    80   0.15250 -1.0 2.0
   69    75    77    80  -0.50650  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    77   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.34400  1.0 1.0
   75    77    80    83   0.09450 -1.0 2.0
   75    77    80    83   0.11100  1.0 3.0
   76    75    77    78   0.33100  1.0 3.0
   76    75    77    79   0.33100  1.0 3.0
   76    75    77    80   0.00000  1.0 1.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86  -1.63150  1.0 1.0
   77    80    83    86  -0.43550 -1.0 2.0
   77    80    83    86   0.24500  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.41150 -1.0 2.0
   80    83    86    88   0.41150 -1.0 2.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86  -0.11250  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86  -0.11250  1.0 3.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   85    83    86    87   0.00000  1.0 1.0
   85    83    86    88   0.00000  1.0 1.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    58   0.46850  1.0 1.0
   39    33    38    58   0.08550 -1.0 2.0
   39    33    38    58   0.09800  1.0 3.0
   39    44    48    49   0.15000  1.0 3.0
   39    44    48    50   0.15000  1.0 3.0
   39    44    48    55   0.56750  1.0 1.0
   39    44    48    55  -0.07550 -1.0 2.0
   39    44    48    55   0.20000  1.0 3.0
   39    44    51    52  -0.11600  1.0 1.0
   39    44    51    52  -0.09450 -1.0 2.0
   39    44    51    52   0.21250  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    51   0.23400  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    51   0.23400  1.0 3.0
   44    48    55    56   0.15000  1.0 3.0
   44    48    55    57   0.15000  1.0 3.0
   44    48    55    60   0.56750  1.0 1.0
   44    48    55    60  -0.07550 -1.0 2.0
   44    48    55    60   0.20000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    55   0.15000  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   48    44    51    52  -0.11600  1.0 1.0
   48    44    51    52  -0.09450 -1.0 2.0
   48    44    51    52   0.21250  1.0 3.0
   48    55    60    61   0.15000  1.0 3.0
   48    55    60    62   0.15000  1.0 3.0
   48    55    60    66   0.56750  1.0 1.0
   48    55    60    66  -0.07550 -1.0 2.0
   48    55    60    66   0.20000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    60   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    60   0.15000  1.0 3.0
   55    60    66    67   0.15000  1.0 3.0
   55    60    66    68   0.15000  1.0 3.0
   55    60    66    71   0.56750  1.0 1.0
   55    60    66    71  -0.07550 -1.0 2.0
   55    60    66    71   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    66   0.15000  1.0 3.0
   60    66    71    72   0.15000  1.0 3.0
   60    66    71    73   0.15000  1.0 3.0
   60    66    71    74   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    71   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   51    44    48    49   0.23400  1.0 3.0
   51    44    48    50   0.23400  1.0 3.0
   51    44    48    55   0.86500  1.0 1.0
   51    44    48    55  -0.17500 -1.0 2.0
   51    44    48    55   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    58    38    42   1.10000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53   1.10000 -1.0 2.0
   58    54    53    46   1.10000 -1.0 2.0
   63    70    69    75  15.00000 -1.0 2.0
   77    76    75    69  15.00000 -1.0 2.0
   87    83    86    88  10.50000 -1.0 2.0
END
