* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    244     455
    1     0 S   NP   _N1_     1    29.90368    97.55420   -20.61803
    2     1 S   H    _HN1     2     1.02944    63.79209   -11.15772
    3     1 S   H    _H1_     3     1.02823    52.46540   131.01413
    4     1 S   H    _H2_     4     1.02777    94.32571  -119.62100
    5     1 S   CT   _CA1     5     1.50102   152.80814    72.52194
    6     5 S   HC   _HA1     6     1.09546   105.29272   105.65197
    7     5 S   CO3  _C1_     7     1.53901   112.46919   -15.06086
    8     7 S   O2Z  _O11     8     1.26420   114.98661   -36.83945
    9     7 S   O2Z  _O12     9     1.26136   115.05212   142.40106
   10     5 S   CT   _CB1    10     1.53058   107.53124  -135.61983
   11    10 S   HC   HB11    11     1.09824   110.14847   -42.27276
   12    10 S   HC   HB12    12     1.09810   110.10940    74.53790
   13    10 S   CT   _CG1    13     1.52957   112.34831  -162.90918
   14    13 S   HC   HG11    14     1.09452   110.88580   -56.30266
   15    13 S   HC   HG12    15     1.09639   109.64594    62.83365
   16    13 S   C    _CD1    16     1.51670   112.16014  -176.24574
   17    16 S   O    _OE1    17     1.22759   123.24442     8.96182
   18    16 S   N    _N2_    18     1.38498   111.76486  -171.95036
   19    18 S   H    _HN2    19     1.01943   119.24874     4.32042
   20    18 S   CT1  _CA2    20     1.45718   123.52069  -178.35028
   21    20 S   HC   _HA2    21     1.09737   109.08669     6.46159
   22    20 S   C    _C2_    22     1.53689   109.33541  -109.00030
   23    22 S   O    _O2_    23     1.23122   122.11573  -152.22473
   24    20 S   CT   _CB2    32     1.53370   111.89773   128.00555
   25    24 S   HC   HB21    33     1.09404   111.30076    60.67758
   26    24 S   HC   HB22    34     1.09603   109.24376   177.52109
   27    22 S   N    _N3_    24     1.38330   114.01969    35.74577
   28    27 S   H    _HN3    25     1.01552   119.52121    -5.41396
   29    24 S   S    _SG2    35     1.83290   113.39553   -64.98238
   30    27 S   CT   _CA3    26     1.45267   123.15849   176.76808
   31    30 S   HC   HA31    27     1.09558   107.71616   -58.51377
   32    30 S   HC   HA32    28     1.09557   107.72617    57.85344
   33    29 S   CT   _C10    36     1.84934   101.28798    92.68942
   34    33 S   HC   _H3_    37     1.09179   106.03517   -55.35209
   35    30 S   CO3  _C3_    29     1.52948   114.20896   179.61285
   36    35 S   O2Z  _O31    30     1.26368   116.14423    -2.31765
   37    35 S   O2Z  _O32    31     1.26458   114.39402   177.66972
   38    33 S   CA   _C9_    38     1.52191   109.83948  -171.85151
   39    33 S   CM   _C11    50     1.51239   110.39125    63.77435
   40    39 S   HC   _H13    51     1.09156   115.71356    35.83501
   41    38 S   CA   _C4_    39     1.40548   119.58142   109.15731
   42    41 S   HA   _H9_    40     1.08721   120.49663    -0.39067
   43    39 S   CMA  _C12    52     1.35444   127.73531  -143.12984
   44    43 S   OM   _O42    53     1.26467   129.31202   179.00949
   45    41 S   CA   _C5_    41     1.39551   120.80867   178.81353
   46    45 S   HA   _H10    42     1.08632   119.74979  -179.48795
   47    43 S   CM   _C13    54     1.50504   120.03659    -3.01857
   48    45 S   CA   _C6_    43     1.39063   119.60948     0.24549
   49    47 S   CM   _C14    55     1.36336   116.24141   -85.66638
   50    48 S   CA   _C7_    44     1.39202   120.73574     0.12033
   51    50 S   HA   _H11    45     1.08587   121.01926   179.97202
   52    48 S   OH   _O43    48     1.36633   118.23357  -179.89532
   53    52 S   HO   _H21    49     0.97222   108.49813   179.83929
   54    49 S   CO4  _C15    56     1.48239   120.60645   177.39571
   55    54 S   O    _O33    57     1.22223   123.90026  -167.34139
   56    49 S   OS1  _O36    64     1.38666   122.62990     3.65484
   57    38 S   CA   _C8_    46     1.40603   121.91347   -71.48193
   58    57 S   HA   _H12    47     1.08739   120.46735     0.81757
   59    54 S   CO4  _C16    58     1.49355   117.59243    12.85122
   60    59 S   O    _O35    59     1.22110   119.90142   163.21469
   61    56 S   CO1  _C19    65     1.44011   112.74928  -103.37219
   62    61 S   HC   _H4_    66     1.09850   109.57493    43.63618
   63    59 S   CM   _C17    60     1.46500   117.10226   -17.62857
   64    63 S   HC   _H14    61     1.08593   116.39367  -169.32816
   65    61 S   CT   _C20    67     1.53535   106.23087   162.49432
   66    65 S   HC   _H5_    68     1.09720   110.14540    51.79403
   67    47 S   CMA  _C18    62     1.51243   123.60287    91.90221
   68    67 S   OM   _O34    63     1.26266   112.96295    -4.87588
   69    65 S   CT   _C21    69     1.52973   111.45018   174.18857
   70    69 S   HC   _H6_    70     1.09682   110.17392    74.59072
   71    65 S   OH5  _O41    85     1.42887   110.19944   -65.53984
   72    71 S   HO   _H20    86     0.97405   107.51149    43.06740
   73    69 S   CT   _C22    71     1.53231   111.69059   -48.24437
   74    73 S   HC   _H7_    72     1.09703   108.87376   -71.69249
   75    69 S   OH5  _O40    83     1.43117   109.55907  -169.60996
   76    75 S   HO   _H19    84     0.97216   108.03264    60.78215
   77    73 S   CT   _C23    73     1.53599   110.49934    49.16044
   78    77 S   HC   _H8_    74     1.09859   109.81774    64.54637
   79    73 S   OH5  _O39    81     1.42504   109.17758   171.94102
   80    79 S   HO   _H18    82     0.97238   108.06660   -67.89878
   81    61 S   OS1  _O37    75     1.42821   111.48019   -78.22528
   82    77 S   CT   _C24    76     1.52994   112.73392  -175.06382
   83    82 S   HC   _H15    77     1.09587   110.08867   169.89020
   84    82 S   HC   _H16    78     1.09572   110.91016    51.31404
   85    82 S   OH5  _O38    79     1.41889   110.85625   -70.20162
   86    85 S   HO   _H17    80     0.97240   107.05392   179.27665
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   8   3   7   3  10   6
  12   5   3   2   1   8   4  10   1   1   5   3  13   6   3   2
  12   7   1   1  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    51    57    58    39    40    43  
   40    43    44    47    49    67    41    57  
   43    44    47  
   42    45    46    48    50    57    58    52  
   45    46    48    57  
   44    47    49    54    63    67    68    56  
   47    49    67  
   46    48    50    51    57    52    53  
   48    50    52  
   49    54    55    59    63    64    67    68    56    61  
   50    51    57    58    52    53  
   54    55    59    60    63    67    68    56    61    62    65    81  
   51    57    58    52    53  
   57    58    52  
   53    57  
    0  
   55    59    60    63    64    67    56    61  
   59    60    63    56  
   61    62    65    66    69    77    81    71    59    67  
   58  
    0  
   60    63    64    67    68  
   63    64    67  
   62    65    66    69    70    73    77    78    81    82    75    71    72  
   65    66    69    77    81    71  
   64    67    68  
   67    68  
   66    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   68  
    0  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   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   3.5500   0.0760  -1.202400   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    52   450.000  1.364
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   465.000  1.376
   47    49   549.000  1.340
   47    67   465.000  1.376
   49    54   320.000  1.462
   49    56   440.000  1.360
   54    55   570.000  1.229
   54    59   250.000  1.523
   59    60   570.000  1.229
   59    63   320.000  1.462
   63    64   340.000  1.080
   63    67   465.000  1.376
   67    68   745.000  1.250
   56    61   370.000  1.399
   61    62   360.000  1.097
   61    65   255.000  1.525
   61    81   370.000  1.399
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    50    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    57    63.00000  120.00000
   48    52    53    35.00000  113.00000
   50    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    50    51    35.00000  120.00000
   52    48    50    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    70.00000  123.01800
   43    39    40    40.00000  120.50800
   43    47    49    70.00000  117.34000
   43    47    67    70.00000  117.34000
   47    43    44    65.00000  137.10300
   47    49    54    65.00000  118.96000
   47    49    56    80.00000  120.01400
   47    67    63    70.00000  123.01800
   47    67    68    65.00000  137.10300
   49    54    55    80.00000  123.72100
   49    54    59    65.00000  116.00000
   49    56    61    90.00000  111.18400
   54    59    60    80.00000  119.30300
   54    59    63    65.00000  116.00000
   59    54    55    80.00000  119.30300
   59    63    64    40.00000  117.72500
   59    63    67    60.00000  125.92000
   63    59    60    80.00000  123.72100
   63    67    68    65.00000  137.10300
   67    47    49    70.00000  117.34000
   67    63    64    40.00000  120.50800
   56    49    54    85.00000  116.28000
   56    61    62    60.00000  105.75400
   56    61    65    90.00000  109.70700
   56    61    81   110.00000  113.16000
   61    65    66    45.00000  109.54000
   61    65    69    70.00000  111.10000
   61    65    71    90.00000  109.42000
   61    81    77    90.00000  112.10700
   65    61    62    45.00000  111.65000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    61    62    60.00000  105.75400
   81    61    65    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
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  -0.23050  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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    50   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    50   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    57   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    50   -57    38   3.62500 -1.0 2.0
   48    50    57    58   3.62500 -1.0 2.0
   50    48    52    53   0.84100 -1.0 2.0
   51    50    57    38   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49   7.00000 -1.0 2.0
   39    43    47    67   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    54   7.00000 -1.0 2.0
   43    47    49    56   7.00000 -1.0 2.0
   43    47    67    63   7.00000 -1.0 2.0
   43    47    67    68   7.00000 -1.0 2.0
   44    43    47    49   7.00000 -1.0 2.0
   44    43    47    67   7.00000 -1.0 2.0
   47    49    54    55   1.00000 -1.0 2.0
   47    49    54    59   0.50400  1.0 1.0
   47    49    54    59   1.60000 -1.0 2.0
   47    49    54    59  -0.01800  1.0 3.0
   47    49    56    61  -2.26850  1.0 1.0
   47    49    56    61   3.39050 -1.0 2.0
   49    47    67    63   7.00000 -1.0 2.0
   49    47    67    68   7.00000 -1.0 2.0
   49    54    59    60   0.03000  1.0 1.0
   49    54    59    60   0.58800 -1.0 2.0
   49    54    59    60   0.15550  1.0 3.0
   49    54   -59    63   0.43900  1.0 1.0
   49    54   -59    63  -0.18150 -1.0 2.0
   49    54   -59    63  -0.03650  1.0 3.0
   49    56    61    62   0.08050  1.0 3.0
   49    56    61    65  -0.46850  1.0 1.0
   49    56    61    65   0.09300 -1.0 2.0
   49    56    61    65  -0.12850  1.0 3.0
   49    56    61    81  -0.48150  1.0 1.0
   49    56    61    81   0.09250 -1.0 2.0
   49    56    61    81  -0.12850  1.0 3.0
   54    49    56    61   0.15100 -1.0 2.0
   54    59    63    64   0.92800 -1.0 2.0
   54    59    63    67   0.50400  1.0 1.0
   54    59    63    67   1.60000 -1.0 2.0
   54    59    63    67  -0.01800  1.0 3.0
   55    54    59    60   0.06100 -1.0 2.0
   55    54    59    63   0.03000  1.0 1.0
   55    54    59    63   0.58800 -1.0 2.0
   55    54    59    63   0.15550  1.0 3.0
   59    63   -67    47   7.00000 -1.0 2.0
   59    63    67    68   7.00000 -1.0 2.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    67   1.00000 -1.0 2.0
   64    63    67    47   7.00000 -1.0 2.0
   64    63    67    68   7.00000 -1.0 2.0
   67    47   -49    54   7.00000 -1.0 2.0
   67    47    49    56   7.00000 -1.0 2.0
   56    49    54    55  -0.11900  1.0 1.0
   56    49    54    55   0.76850 -1.0 2.0
   56    49    54    55   0.14100  1.0 3.0
   56    49    54    59   1.50000 -1.0 2.0
   56    61    65    66   0.23400  1.0 3.0
   56    61    65    69   0.62750  1.0 1.0
   56    61    65    69  -0.30950 -1.0 2.0
   56    61    65    69   0.27300  1.0 3.0
   56    61    65    71   1.51850  1.0 1.0
   56    61    81    77  -0.70400  1.0 1.0
   56    61    81    77  -0.90350 -1.0 2.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    73   0.56750  1.0 1.0
   61    65    69    73  -0.07550 -1.0 2.0
   61    65    69    73   0.20000  1.0 3.0
   61    65    69    75  -0.47750  1.0 1.0
   61    65    71    72   0.29150  1.0 1.0
   61    65    71    72  -0.28350 -1.0 2.0
   61    65    71    72   0.43600  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    81    77   0.37050  1.0 3.0
   65    61    81    77   0.06250  1.0 1.0
   65    61    81    77  -0.01100 -1.0 2.0
   65    61    81    77   0.28050  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69   -73    77   0.56750  1.0 1.0
   65    69   -73    77  -0.07550 -1.0 2.0
   65    69   -73    77   0.20000  1.0 3.0
   65    69    73    79  -0.47750  1.0 1.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    61   0.06250  1.0 1.0
   73    77   -81    61  -0.01100 -1.0 2.0
   73    77   -81    61   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    61   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    61    65    66   0.23400  1.0 3.0
   81    61   -65    69   0.62750  1.0 1.0
   81    61   -65    69  -0.30950 -1.0 2.0
   81    61   -65    69   0.27300  1.0 3.0
   81    61    65    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    61   0.06250  1.0 1.0
   82    77    81    61  -0.01100 -1.0 2.0
   82    77    81    61   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  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
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    52    48    45   4.00000 -1.0 2.0
   57    51    50    48   1.10000 -1.0 2.0
   50    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   43    67    47    49   1.10000 -1.0 2.0
   54    56    49    47   1.10000 -1.0 2.0
   49    59    54    55  10.50000 -1.0 2.0
   54    63    59    60  10.50000 -1.0 2.0
   59    64    63    67   1.10000 -1.0 2.0
   47    68    67    63   1.10000 -1.0 2.0
END
