* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    154    224     445
    1     0 S   NP   _N1_     1    29.16637    99.03787   -14.65444
    2     1 S   H    _HN1     2     1.02957    55.87899     0.63643
    3     1 S   H    _H1_     3     1.02842    81.87971   117.76611
    4     1 S   H    _H2_     4     1.02795    69.99229  -129.84811
    5     1 S   CT   _CA1     5     1.50042   164.64328   -28.95740
    6     5 S   HC   _HA1     6     1.09595   105.25494  -156.45018
    7     5 S   CO3  _C1_     7     1.53886   112.48492    83.59180
    8     7 S   O2Z  _O11     8     1.26375   115.06333   -48.32414
    9     7 S   O2Z  _O12     9     1.26359   114.93480   131.16638
   10     5 S   CT   _CB1    10     1.53160   107.39571   -38.90622
   11    10 S   HC   HB11    11     1.09794   109.44561   -55.33802
   12    10 S   HC   HB12    12     1.09633   110.30865    61.25681
   13    10 S   CT   _CG1    13     1.52715   112.28748  -176.67858
   14    13 S   HC   HG11    14     1.09368   109.68481   -66.11373
   15    13 S   HC   HG12    15     1.09659   109.90733    52.83436
   16    13 S   C    _CD1    16     1.51675   113.31507   174.30811
   17    16 S   O    _OE1    17     1.22694   123.48220     6.51689
   18    16 S   N    _N2_    18     1.38605   111.25286  -173.66822
   19    18 S   H    _HN2    19     1.01567   118.92420     3.48493
   20    18 S   CT1  _CA2    20     1.45747   123.26901   178.80025
   21    20 S   HC   _HA2    21     1.09706   108.75308    33.22989
   22    20 S   C    _C2_    22     1.52984   106.93087   -84.09193
   23    22 S   O    _O2_    23     1.22991   123.07729   -28.87979
   24    20 S   CT   _CB2    32     1.53269   111.88987   157.00436
   25    24 S   HC   HB21    33     1.09355   109.47118    52.29256
   26    24 S   HC   HB22    34     1.09533   110.49141   169.94695
   27    22 S   N    _N3_    24     1.38515   112.56068   153.79914
   28    27 S   H    _HN3    25     1.01654   120.35130    -1.61858
   29    24 S   S    _SG2    35     1.82894   111.54147   -71.16226
   30    27 S   CT   _CA3    26     1.45340   122.41224   178.72712
   31    30 S   HC   HA31    27     1.09568   107.67669   -58.60598
   32    30 S   HC   HA32    28     1.09567   107.71513    57.68957
   33    29 S   CT   _C11    36     1.88114   101.69624   131.86004
   34    33 S   OM   _O41    37     1.32333   109.31068   174.36455
   35    30 S   CO3  _C3_    29     1.52876   114.41196   179.56165
   36    35 S   O2Z  _O31    30     1.26325   116.11076    -0.30001
   37    35 S   O2Z  _O32    31     1.26451   114.39129   179.70725
   38    33 S   CA   _C12    38     1.56784   108.82671   -68.59592
   39    33 S   CT   _C10    70     1.56771   108.12294    61.09065
   40    39 S   HC   _H10    71     1.09681   111.67320   -63.66850
   41    39 S   HC   _H11    72     1.10068   110.71726   179.20994
   42    38 S   CA   _C13    39     1.44140   122.45017   -60.61003
   43    39 S   CO4  _C9_    73     1.53419   117.36153    57.08145
   44    43 S   O    _O35    74     1.23272   121.63923   -84.81752
   45    42 S   CA   _C14    40     1.41696   119.95825   175.70869
   46    45 S   HA   _H12    41     1.08737   119.82668  -177.76113
   47    42 S   CT   _C18    50     1.52376   125.49591     0.31590
   48    47 S   HC   _H16    51     1.08833   115.10205   -13.73164
   49    47 S   HC   _H17    52     1.09620   107.52532   104.30236
   50    43 S   CT   _C8_    75     1.51310   117.75247    97.97293
   51    50 S   HC   _H8_    76     1.09560   107.95413  -158.10924
   52    50 S   HC   _H9_    77     1.09296   109.63355   -41.00938
   53    45 S   CA   _C15    42     1.38345   121.72178     0.90482
   54    47 S   CO4  _C19    53     1.52096   113.50587  -134.60822
   55    54 S   O    _O38    54     1.23152   121.97016    58.07221
   56    50 S   CO4  _C7_    78     1.51263   114.13031    81.25754
   57    56 S   O    _O34    79     1.23014   122.01232     0.42796
   58    53 S   CA   _C16    43     1.37888   119.82992     1.11785
   59    58 S   HA   _H13    44     1.08681   119.35712   179.53480
   60    53 S   OH   _O37    48     1.36496   121.08344  -178.03567
   61    60 S   HO   _H15    49     0.97561   108.59446     6.64694
   62    54 S   CT   _C20    55     1.51161   116.99736  -120.93466
   63    62 S   HC   _H18    56     1.09493   109.09068   171.21600
   64    62 S   HC   _H19    57     1.09401   107.66682    54.41018
   65    56 S   CT   _C6_    80     1.51394   115.85740  -177.03153
   66    65 S   HC   _H6_    81     1.09502   109.19571   -35.31624
   67    65 S   HC   _H7_    82     1.09507   106.95552    82.27167
   68    38 S   CA   _C17    45     1.42418   121.87493   117.21949
   69    62 S   CO4  _C21    58     1.50976   114.36422   -67.60297
   70    69 S   O    _O39    59     1.23073   122.17517   -23.69398
   71    65 S   CO4  _C5_    83     1.51241   115.58519  -155.96366
   72    71 S   O    _O33    84     1.23018   122.59790    28.63177
   73    68 S   OH   _O36    46     1.37116   121.31994     2.79372
   74    73 S   HO   _H14    47     0.97155   109.83236   179.08357
   75    69 S   CT   _C22    60     1.51188   116.79720   155.83155
   76    75 S   HC   _H20    61     1.09608   107.57912   149.69432
   77    75 S   HC   _H21    62     1.09542   108.60879    33.10077
   78    71 S   CT   _C4_    85     1.50644   116.39766  -154.41839
   79    78 S   HC   _H3_    86     1.09282   109.62332    60.33115
   80    78 S   HC   _H4_    87     1.09356   109.72817   179.62727
   81    78 S   HC   _H5_    88     1.09272   109.54282   -60.76162
   82    75 S   CO4  _C23    63     1.50772   113.16817   -89.25043
   83    82 S   O    _O40    64     1.22440   123.94172     2.58051
   84    82 S   S    _S1_    65     1.76494   113.59215  -177.61599
   85    84 S   CT   _C24    66     1.80667   100.07368   162.61172
   86    85 S   HC   _H22    67     1.09320   109.24438  -177.27775
   87    85 S   HC   _H23    68     1.09278   110.74182    63.35553
   88    85 S   HC   _H24    69     1.09339   110.45129   -57.96362
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  17  10   4   3  13   7   4  11   4  10   4
   3   8   4   3   6   7   4   7   4   6   3   2   1   8   4   3
   8   4   3   2   7   4   5   4   1   1   6   4   3   3   2   1
   1   6   2   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    68    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    45    58    68    73    47    39    40    41    43    44    50  
   38    42    68    39    40    41    43  
   36    37  
   37  
    0  
   42    45    46    53    58    59    68    73    74    47    48    49    54    39    40    41    43  
   40    41    43    44    50    51    52    56    42    68  
   41    43    44    50  
   43    44    50  
   45    46    53    58    68    73    60    47    48    49    54    55    62  
   44    50    51    52    56    57    65  
   50    51    52    56  
   46    53    58    59    68    60    61    47    48    49    54  
   53    58    60    47  
   48    49    54    55    62    63    64    69    53    68  
   49    54    55    62  
   54    55    62  
   51    52    56    57    65    66    67    71  
   52    56    57    65  
   56    57    65  
   58    59    68    73    60    61  
   55    62    63    64    69    70    75  
   62    63    64    69  
   57    65    66    67    71    72    78  
   65    66    67    71  
   59    68    73    74    60    61  
   68    73    60  
   61    68  
    0  
   63    64    69    70    75    76    77    82  
   64    69    70    75  
   69    70    75  
   66    67    71    72    78    79    80    81  
   67    71    72    78  
   71    72    78  
   73    74  
   70    75    76    77    82    83    84  
   75    76    77    82  
   72    78    79    80    81  
   78    79    80    81  
   74  
    0  
   76    77    82    83    84    85  
   77    82    83    84  
   82    83    84  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88  
   84    85  
   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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   85   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    68   469.000  1.400
   42    45   469.000  1.400
   42    47   317.000  1.510
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    58   469.000  1.400
   53    60   450.000  1.364
   58    59   367.000  1.080
   58    68   469.000  1.400
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   317.000  1.522
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   317.000  1.522
   82    83   570.000  1.229
   82    84   210.000  1.799
   84    85   222.000  1.810
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.522
   56    57   570.000  1.229
   56    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.522
   71    72   570.000  1.229
   71    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    68    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    85.00000  111.85700
   38    42    45    63.00000  120.00000
   38    42    47    70.00000  120.00000
   38    68    58    63.00000  120.00000
   38    68    73    70.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    53    63.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    54    70.00000  110.93000
   45    53    58    63.00000  120.00000
   45    53    60    70.00000  120.00000
   53    45    46    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    68    63.00000  120.00000
   53    60    61    35.00000  113.00000
   58    68    73    70.00000  120.00000
   68    38    42    63.00000  120.00000
   68    58    59    35.00000  120.00000
   68    73    74    35.00000  113.00000
   60    53    58    70.00000  120.00000
   47    42    45    70.00000  120.00000
   47    54    55    80.00000  120.40000
   47    54    62    70.00000  116.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    69    75.00000  107.99600
   62    54    55    80.00000  120.40000
   62    69    70    80.00000  120.40000
   62    69    75    70.00000  116.00000
   64    62    63    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    64    35.00000  109.50000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    82    75.00000  107.99600
   75    69    70    80.00000  120.40000
   75    82    83    80.00000  120.40000
   75    82    84    70.00000  114.16300
   77    75    76    33.00000  107.80000
   82    75    76    35.00000  109.50000
   82    75    77    35.00000  109.50000
   82    84    85    90.00000   96.72000
   84    82    83    80.00000  121.30200
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    50    70.00000  116.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    50    51    35.00000  109.50000
   43    50    52    35.00000  109.50000
   43    50    56    75.00000  107.99600
   50    43    44    80.00000  120.40000
   50    56    57    80.00000  120.40000
   50    56    65    70.00000  116.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    71    75.00000  107.99600
   65    56    57    80.00000  120.40000
   65    71    72    80.00000  120.40000
   65    71    78    70.00000  116.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   78    71    72    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    68  -0.16000  1.0 1.0
   29    33    38    68  -0.03200 -1.0 2.0
   29    33    38    68   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    42    45   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    68    58   3.62500 -1.0 2.0
   33    38    68    73   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    50   0.60050  1.0 1.0
   33    39    43    50   0.05600 -1.0 2.0
   33    39    43    50   0.26150  1.0 3.0
   34    33    38    42   0.64500  1.0 1.0
   34    33    38    42   0.14800 -1.0 2.0
   34    33    38    42   0.20650  1.0 3.0
   34    33    38    68   0.64500  1.0 1.0
   34    33    38    68   0.14800 -1.0 2.0
   34    33    38    68   0.20650  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.23400  1.0 3.0
   34    33    39    43  -0.09450  1.0 1.0
   34    33    39    43  -1.12950 -1.0 2.0
   34    33    39    43   0.54000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    53   3.62500 -1.0 2.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    54   0.04300 -1.0 2.0
   38    68    73    74   0.84100 -1.0 2.0
   42    38    68    58   3.62500 -1.0 2.0
   42    38    68    73   3.62500 -1.0 2.0
   42    45   -53    58   3.62500 -1.0 2.0
   42    45    53    60   3.62500 -1.0 2.0
   42    47    54    55   0.30150 -1.0 2.0
   42    47    54    62   0.65300  1.0 1.0
   42    47    54    62  -0.03850 -1.0 2.0
   42    47    54    62   0.33900  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    54   0.04300 -1.0 2.0
   45    53    58    59   3.62500 -1.0 2.0
   45    53    58    68   3.62500 -1.0 2.0
   45    53    60    61   0.84100 -1.0 2.0
   46    45    53    58   3.62500 -1.0 2.0
   46    45    53    60   3.62500 -1.0 2.0
   53    58   -68    38   3.62500 -1.0 2.0
   53    58    68    73   3.62500 -1.0 2.0
   58    53    60    61   0.84100 -1.0 2.0
   58    68    73    74   0.84100 -1.0 2.0
   59    58    68    38   3.62500 -1.0 2.0
   59    58    68    73   3.62500 -1.0 2.0
   68    38   -42    45   3.62500 -1.0 2.0
   68    38    42    47   3.62500 -1.0 2.0
   60    53    58    59   3.62500 -1.0 2.0
   60    53    58    68   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    53   3.62500 -1.0 2.0
   47    54    62    63   0.00000  1.0 1.0
   47    54    62    64   0.00000  1.0 1.0
   47    54    62    69   0.65300  1.0 1.0
   47    54    62    69  -0.03850 -1.0 2.0
   47    54    62    69   0.33900  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    62   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
   49    47    54    62   0.00000  1.0 1.0
   54    62    69    70   0.30150 -1.0 2.0
   54    62    69    75   0.65300  1.0 1.0
   54    62    69    75  -0.03850 -1.0 2.0
   54    62    69    75   0.33900  1.0 3.0
   55    54    62    63   0.00000  1.0 1.0
   55    54    62    64   0.00000  1.0 1.0
   55    54    62    69   0.30150 -1.0 2.0
   62    69    75    76   0.00000  1.0 1.0
   62    69    75    77   0.00000  1.0 1.0
   62    69    75    82   0.65300  1.0 1.0
   62    69    75    82  -0.03850 -1.0 2.0
   62    69    75    82   0.33900  1.0 3.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    75   0.00000  1.0 1.0
   64    62    69    70   0.00000  1.0 1.0
   64    62    69    75   0.00000  1.0 1.0
   69    75    82    83   0.30150 -1.0 2.0
   69    75    82    84   0.00000  1.0 1.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.00000  1.0 1.0
   70    69    75    82   0.30150 -1.0 2.0
   75    82    84    85  -0.11550  1.0 1.0
   75    82    84    85   1.88700 -1.0 2.0
   76    75    82    83   0.00000  1.0 1.0
   76    75    82    84   0.00000  1.0 1.0
   77    75    82    83   0.00000  1.0 1.0
   77    75    82    84   0.00000  1.0 1.0
   82    84    85    86   0.24000  1.0 3.0
   82    84    85    87   0.24000  1.0 3.0
   82    84    85    88   0.24000  1.0 3.0
   83    82    84    85  -0.11550  1.0 1.0
   83    82    84    85   1.88700 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    68   0.04150 -1.0 2.0
   39    43    50    51   0.00000  1.0 1.0
   39    43    50    52   0.00000  1.0 1.0
   39    43    50    56   0.65300  1.0 1.0
   39    43    50    56  -0.03850 -1.0 2.0
   39    43    50    56   0.33900  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    50   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    50   0.00000  1.0 1.0
   43    50    56    57   0.30150 -1.0 2.0
   43    50    56    65   0.65300  1.0 1.0
   43    50    56    65  -0.03850 -1.0 2.0
   43    50    56    65   0.33900  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    52   0.00000  1.0 1.0
   44    43    50    56   0.30150 -1.0 2.0
   50    56    65    66   0.00000  1.0 1.0
   50    56    65    67   0.00000  1.0 1.0
   50    56    65    71   0.65300  1.0 1.0
   50    56    65    71  -0.03850 -1.0 2.0
   50    56    65    71   0.33900  1.0 3.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    65   0.00000  1.0 1.0
   52    50    56    57   0.00000  1.0 1.0
   52    50    56    65   0.00000  1.0 1.0
   56    65    71    72   0.30150 -1.0 2.0
   56    65    71    78   0.65300  1.0 1.0
   56    65    71    78  -0.03850 -1.0 2.0
   56    65    71    78   0.33900  1.0 3.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    67   0.00000  1.0 1.0
   57    56    65    71   0.30150 -1.0 2.0
   65    71    78    79   0.00000  1.0 1.0
   65    71    78    80   0.00000  1.0 1.0
   65    71    78    81   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    78   0.00000  1.0 1.0
   67    65    71    72   0.00000  1.0 1.0
   67    65    71    78   0.00000  1.0 1.0
   72    71    78    79   0.00000  1.0 1.0
   72    71    78    80   0.00000  1.0 1.0
   72    71    78    81   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    68    38    33   4.00000 -1.0 2.0
   45    47    42    38   4.00000 -1.0 2.0
   53    46    45    42   1.10000 -1.0 2.0
   58    60    53    45   4.00000 -1.0 2.0
   68    59    58    53   1.10000 -1.0 2.0
   58    73    68    38   4.00000 -1.0 2.0
   47    62    54    55  10.50000 -1.0 2.0
   62    75    69    70  10.50000 -1.0 2.0
   75    84    82    83  10.50000 -1.0 2.0
   39    50    43    44  10.50000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
   65    78    71    72  10.50000 -1.0 2.0
END
