* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    154    248     463
    1     0 S   NP   _N1_     1    28.93453    93.96239   -21.46881
    2     1 S   H    _HN1     2     1.02792    90.18648   -65.35404
    3     1 S   H    _H1_     3     1.02965    97.05325    42.96412
    4     1 S   H    _H2_     4     1.02846    25.07416   159.01729
    5     1 S   CT   _CA1     5     1.50074   135.41568   172.04858
    6     5 S   HC   _HA1     6     1.09600   105.27303    53.80728
    7     5 S   CO3  _C1_     7     1.53782   112.03970   -66.04542
    8     7 S   O2Z  _O11     8     1.26349   115.13607   -58.25511
    9     7 S   O2Z  _O12     9     1.26212   114.90875   121.03873
   10     5 S   CT   _CB1    10     1.53117   107.34842   171.13975
   11    10 S   HC   HB11    11     1.09812   109.17578   -54.68949
   12    10 S   HC   HB12    12     1.09820   110.59155    61.74737
   13    10 S   CT   _CG1    13     1.52965   112.53769  -175.98975
   14    13 S   HC   HG11    14     1.09616   110.10631   -61.93662
   15    13 S   HC   HG12    15     1.09622   110.28419    57.12283
   16    13 S   C    _CD1    16     1.51800   112.11615   177.13932
   17    16 S   O    _OE1    17     1.22732   123.11814   -18.21676
   18    16 S   N    _N2_    18     1.38531   111.71952   162.99488
   19    18 S   H    _HN2    19     1.01583   118.99101     0.73887
   20    18 S   CT1  _CA2    20     1.46253   123.58908  -177.61665
   21    20 S   HC   _HA2    21     1.09727   109.42841   -17.36026
   22    20 S   C    _C2_    22     1.53401   108.07867  -133.10201
   23    22 S   O    _O2_    23     1.22998   122.38458  -144.89742
   24    20 S   CT   _CB2    32     1.53412   110.99338   104.95241
   25    24 S   HC   HB21    33     1.09563   109.32792    51.67803
   26    24 S   HC   HB22    34     1.09492   110.90501   170.44387
   27    22 S   N    _N3_    24     1.38555   113.25094    42.48304
   28    27 S   H    _HN3    25     1.01534   118.89332    -0.54500
   29    24 S   S    _SG2    35     1.82943   111.62528   -70.21556
   30    27 S   CT   _CA3    26     1.45446   123.39406   175.04848
   31    30 S   HC   HA31    27     1.09527   109.15824    25.75624
   32    30 S   HC   HA32    28     1.09493   107.13543   142.75734
   33    29 S   CT   _C10    36     1.84282   100.03798   146.51578
   34    33 S   HC   _H3_    37     1.09343   104.29170   -55.07287
   35    30 S   CO3  _C3_    29     1.52937   113.19763   -97.66061
   36    35 S   O2Z  _O31    30     1.26397   115.44658   -43.15203
   37    35 S   O2Z  _O32    31     1.26361   114.95172   137.79584
   38    33 S   CA   _C9_    38     1.51878   112.42158    62.63714
   39    33 S   CM   _C11    50     1.51718   108.10978  -172.27648
   40    39 S   HC   _H13    51     1.09311   114.34238   -53.15995
   41    38 S   CA   _C4_    39     1.40584   119.41832  -115.63397
   42    41 S   HA   _H9_    40     1.08759   120.33324    -0.52339
   43    39 S   CMA  _C12    52     1.35910   129.72112   126.16995
   44    43 S   OM   _O41    53     1.26676   126.92810  -179.18028
   45    41 S   CA   _C5_    41     1.39535   120.85154   179.19741
   46    45 S   HA   _H10    42     1.08607   119.87536  -179.74977
   47    43 S   CA   _C13    54     1.50275   114.01952     1.87837
   48    45 S   CA   _C6_    43     1.39053   119.57036     0.45241
   49    47 S   CA   _C14    55     1.41044   120.52082   -90.56782
   50    48 S   CA   _C7_    44     1.39200   120.73070    -0.13562
   51    50 S   HA   _H11    45     1.08594   121.00733   179.86152
   52    48 S   OH   _O42    48     1.36611   118.17957   179.63523
   53    52 S   HO   _H24    49     0.97247   108.49993  -179.58035
   54    49 S   CA   _C15    56     1.39366   121.04851   178.61718
   55    54 S   HA   _H14    57     1.08623   120.86957  -179.73681
   56    49 S   OH   _O40    87     1.37126   119.66113    -0.75199
   57    56 S   HO   _H23    88     0.97577   109.03392  -171.71672
   58    38 S   CA   _C8_    46     1.40507   122.08881    64.04200
   59    58 S   HA   _H12    47     1.08739   120.47590     0.44235
   60    54 S   CA   _C16    58     1.38949   119.13058    -0.08623
   61    60 S   CA   _C17    59     1.39590   121.25153     0.33161
   62    61 S   HA   _H15    60     1.08463   118.47810  -179.97202
   63    60 S   OH   _O39    85     1.36791   117.94957  -179.75772
   64    63 S   HO   _H22    86     0.97234   108.62433  -177.75249
   65    47 S   CA   _C18    61     1.41755   120.47736    88.77281
   66    65 S   OS   _O33    62     1.37341   115.97246     1.94541
   67    66 S   CO   _C19    63     1.43397   119.27581   178.60928
   68    67 S   HC   _H4_    64     1.09886   108.67176    58.35183
   69    67 S   CT   _C20    65     1.53721   106.83499   176.63856
   70    69 S   HC   _H5_    66     1.09693   109.80844    53.75986
   71    69 S   CT   _C21    67     1.53159   111.29983   175.52622
   72    71 S   HC   _H6_    68     1.09671   110.17178    73.61094
   73    69 S   OH   _O38    83     1.42785   110.42059   -63.02138
   74    73 S   HO   _H21    84     0.97191   108.29850   -59.58550
   75    71 S   CT   _C22    69     1.53181   111.45182   -49.08728
   76    75 S   HC   _H7_    70     1.09702   109.07873   -71.74514
   77    71 S   OH   _O37    81     1.42959   109.69745  -170.53494
   78    77 S   HO   _H20    82     0.97248   108.08899    59.21967
   79    75 S   CT   _C23    71     1.53127   110.53844    49.46630
   80    79 S   HC   _H8_    72     1.09840   110.96465    64.04577
   81    75 S   OH   _O36    79     1.42596   109.74455   171.34960
   82    81 S   HO   _H19    80     0.97251   108.20870   -57.42105
   83    67 S   OS   _O34    73     1.43061   111.74899   -64.36241
   84    79 S   CT   _C24    74     1.52922   111.73900  -175.04532
   85    84 S   HC   _H16    75     1.09501   111.03145    69.73935
   86    84 S   HC   _H17    76     1.09392   111.59865   -52.75425
   87    84 S   OH   _O35    77     1.42561   108.93920  -171.63165
   88    87 S   HO   _H18    78     0.97248   106.95947  -177.32438
  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  11   6
   9   5   3   2   1   9   4   3   1   1   1   6   6   3   2   1
   5   8  13   6  12   7  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    58    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    58    59    39    40    43    44    47  
   38    41    58    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    51    58    59    39    40    43  
   40    43    44    47    49    65    41    58  
   43    44    47  
   42    45    46    48    50    58    59    52  
   45    46    48    58  
   44    47    49    54    61    65    66    56  
   47    49    65  
   46    48    50    51    58    52    53  
   48    50    52  
   49    54    55    60    61    62    65    66    67    56    57  
   50    51    58    59    52    53  
   54    55    60    61    65    66    63    56    57  
   51    58    59    52    53  
   58    59    52  
   53    58  
    0  
   55    60    61    62    65    63    64    56    57  
   60    61    63    56  
   57    60    65  
    0  
   59  
    0  
   61    62    65    66    63    64  
   62    65    66    67    63    64  
   65    66    63  
   64    65  
    0  
   66    67    68    69    83  
   67    68    69    70    71    79    83    73  
   68    69    70    71    72    75    79    80    83    84    77    73    74  
   69    70    71    79    83    73  
   70    71    72    75    76    79    83    81    77    78    73    74  
   71    72    75    83    77    73    74  
   72    75    76    79    80    83    84    81    82    77    78    73    74  
   75    76    79    81    77    78    73  
   74    75    77    83  
    0  
   76    79    80    83    84    85    86    87    81    82    77    78  
   79    80    83    84    81    82    77  
   78    79    81  
    0  
   80    83    84    85    86    87    88    81    82  
   83    84    85    86    87    81  
   82    83    84  
    0  
   84    85    86    87  
   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   0.222500   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   0.375100   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    58   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    58   469.000  1.400
   58    59   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   320.000  1.460
   47    49   469.000  1.400
   47    65   469.000  1.400
   49    54   469.000  1.400
   49    56   450.000  1.364
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   450.000  1.364
   66    67   320.000  1.380
   67    68   340.000  1.090
   67    69   250.000  1.527
   67    83   320.000  1.380
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   320.000  1.410
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   320.000  1.410
   79    80   340.000  1.090
   79    83   320.000  1.410
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.410
   87    88   553.000  0.945
   81    82   553.000  0.945
   77    78   553.000  0.945
   73    74   553.000  0.945
   63    64   553.000  0.945
   56    57   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    58    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    58    50    63.00000  120.00000
   38    58    59    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    58    63.00000  120.00000
   48    52    53    35.00000  113.00000
   50    58    59    35.00000  120.00000
   58    38    41    63.00000  120.00000
   58    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    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    65    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    54    63.00000  120.00000
   47    49    56    70.00000  120.00000
   47    65    61    63.00000  120.00000
   47    65    66    70.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    60    63.00000  120.00000
   49    56    57    35.00000  113.00000
   54    60    61    63.00000  120.00000
   54    60    63    70.00000  120.00000
   60    54    55    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    66    70.00000  120.00000
   65    47    49    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    66    67   100.00000  112.36700
   66    67    68    35.00000  109.50000
   66    67    69    90.00000  108.56700
   66    67    83    92.60000  111.55000
   67    69    70    45.00000  108.72000
   67    69    71    75.00000  109.43000
   67    69    73    90.00000  111.58700
   67    83    79    60.00000  109.50000
   69    67    68    45.00000  112.01100
   69    71    72    37.50000  110.70000
   69    71    75    58.35000  112.70000
   69    71    77    50.00000  109.50000
   69    73    74    55.00000  108.50000
   71    69    70    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    58.35000  112.70000
   71    75    81    50.00000  109.50000
   71    77    78    55.00000  108.50000
   75    71    72    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    83    50.00000  109.50000
   75    79    84    58.35000  112.70000
   75    81    82    55.00000  108.50000
   79    75    76    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    50.00000  109.50000
   83    67    68    35.00000  109.50000
   83    67    69    90.00000  108.56700
   83    79    80    35.00000  109.50000
   84    79    80    37.50000  110.70000
   84    79    83    50.00000  109.50000
   84    87    88    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   81    75    76    35.00000  109.50000
   81    75    79    50.00000  109.50000
   77    71    72    35.00000  109.50000
   77    71    75    50.00000  109.50000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   63    60    61    70.00000  120.00000
   56    49    54    70.00000  120.00000
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    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   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    58    50   3.62500 -1.0 2.0
   33    38    58    59   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    58   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    58    50   3.62500 -1.0 2.0
   41    38    58    59   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    58   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   -58    38   3.62500 -1.0 2.0
   48    50    58    59   3.62500 -1.0 2.0
   50    48    52    53   0.84100 -1.0 2.0
   51    50    58    38   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    58   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    65   0.15800  1.0 1.0
   39    43    47    65   1.85350 -1.0 2.0
   39    43    47    65  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    49    56   3.62500 -1.0 2.0
   43    47    65    61   3.62500 -1.0 2.0
   43    47    65    66   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    65  -0.01750  1.0 1.0
   44    43    47    65  -0.32000 -1.0 2.0
   44    43    47    65   0.00600  1.0 3.0
   47    49    54    55   3.62500 -1.0 2.0
   47    49    54    60   3.62500 -1.0 2.0
   47    49    56    57   0.84100 -1.0 2.0
   47    65    66    67   1.63200 -1.0 2.0
   49    47    65    61   3.62500 -1.0 2.0
   49    47    65    66   3.62500 -1.0 2.0
   49    54   -60    61   3.62500 -1.0 2.0
   49    54    60    63   3.62500 -1.0 2.0
   54    49    56    57   0.84100 -1.0 2.0
   54    60    61    62   3.62500 -1.0 2.0
   54    60    61    65   3.62500 -1.0 2.0
   54    60    63    64   0.84100 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    63   3.62500 -1.0 2.0
   60    61   -65    47   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65    66    67   1.63200 -1.0 2.0
   62    61    65    47   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   65    47   -49    54   3.62500 -1.0 2.0
   65    47    49    56   3.62500 -1.0 2.0
   65    66    67    68   0.08050  1.0 3.0
   65    66    67    69  -0.32850  1.0 1.0
   65    66    67    69  -0.35800 -1.0 2.0
   65    66    67    69   0.33950  1.0 3.0
   65    66    67    83  -0.25600  1.0 1.0
   65    66    67    83  -0.40050 -1.0 2.0
   65    66    67    83   0.34700  1.0 3.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.62750  1.0 1.0
   66    67    69    71  -0.30950 -1.0 2.0
   66    67    69    71   0.27300  1.0 3.0
   66    67    69    73   3.69350  1.0 1.0
   66    67    69    73  -1.82950 -1.0 2.0
   66    67    83    79  -0.81800  1.0 1.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    75   3.97050  1.0 1.0
   67    69    71    77   0.86500  1.0 1.0
   67    69    71    77  -0.17500 -1.0 2.0
   67    69    71    77   0.20800  1.0 3.0
   67    69    73    74  -0.11600  1.0 1.0
   67    69    73    74  -0.09450 -1.0 2.0
   67    69    73    74   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    83    79   0.37050  1.0 3.0
   69    67    83    79   0.06250  1.0 1.0
   69    67    83    79  -0.01100 -1.0 2.0
   69    67    83    79   0.28050  1.0 3.0
   69    71    75    76   0.15000  1.0 3.0
   69    71   -75    79   0.56750  1.0 1.0
   69    71   -75    79  -0.07550 -1.0 2.0
   69    71   -75    79   0.20000  1.0 3.0
   69    71    75    81   0.86500  1.0 1.0
   69    71    75    81  -0.17500 -1.0 2.0
   69    71    75    81   0.20800  1.0 3.0
   69    71    77    78  -0.11600  1.0 1.0
   69    71    77    78  -0.09450 -1.0 2.0
   69    71    77    78   0.21250  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    75   0.15000  1.0 3.0
   70    69    71    77   0.23400  1.0 3.0
   70    69    73    74   0.19450  1.0 3.0
   71    69    73    74  -0.11600  1.0 1.0
   71    69    73    74  -0.09450 -1.0 2.0
   71    69    73    74   0.21250  1.0 3.0
   71    75    79    80   0.15000  1.0 3.0
   71    75    79    83   0.62750  1.0 1.0
   71    75    79    83  -0.30950 -1.0 2.0
   71    75    79    83   0.27300  1.0 3.0
   71    75    79    84   0.56750  1.0 1.0
   71    75    79    84  -0.07550 -1.0 2.0
   71    75    79    84   0.20000  1.0 3.0
   71    75    81    82  -0.11600  1.0 1.0
   71    75    81    82  -0.09450 -1.0 2.0
   71    75    81    82   0.21250  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.15000  1.0 3.0
   72    71    75    81   0.23400  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78  -0.11600  1.0 1.0
   75    71    77    78  -0.09450 -1.0 2.0
   75    71    77    78   0.21250  1.0 3.0
   75    79   -83    67   0.06250  1.0 1.0
   75    79   -83    67  -0.01100 -1.0 2.0
   75    79   -83    67   0.28050  1.0 3.0
   75    79    84    85   0.15000  1.0 3.0
   75    79    84    86   0.15000  1.0 3.0
   75    79    84    87   0.86500  1.0 1.0
   75    79    84    87  -0.17500 -1.0 2.0
   75    79    84    87   0.20800  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    83   0.23400  1.0 3.0
   76    75    79    84   0.15000  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   79    75    81    82  -0.11600  1.0 1.0
   79    75    81    82  -0.09450 -1.0 2.0
   79    75    81    82   0.21250  1.0 3.0
   79    84    87    88  -0.11600  1.0 1.0
   79    84    87    88  -0.09450 -1.0 2.0
   79    84    87    88   0.21250  1.0 3.0
   80    79    83    67   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.23400  1.0 3.0
   83    67    69    70   0.23400  1.0 3.0
   83    67   -69    71   0.62750  1.0 1.0
   83    67   -69    71  -0.30950 -1.0 2.0
   83    67   -69    71   0.27300  1.0 3.0
   83    67    69    73   3.69350  1.0 1.0
   83    67    69    73  -1.82950 -1.0 2.0
   83    79    84    85   0.23400  1.0 3.0
   83    79    84    86   0.23400  1.0 3.0
   83    79    84    87   3.69350  1.0 1.0
   83    79    84    87  -1.82950 -1.0 2.0
   84    79    83    67   0.06250  1.0 1.0
   84    79    83    67  -0.01100 -1.0 2.0
   84    79    83    67   0.28050  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   3.69350  1.0 1.0
   81    75    79    83  -1.82950 -1.0 2.0
   81    75    79    84   0.86500  1.0 1.0
   81    75    79    84  -0.17500 -1.0 2.0
   81    75    79    84   0.20800  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   0.86500  1.0 1.0
   77    71    75    79  -0.17500 -1.0 2.0
   77    71    75    79   0.20800  1.0 3.0
   77    71    75    81   3.75450  1.0 1.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    75   0.86500  1.0 1.0
   73    69    71    75  -0.17500 -1.0 2.0
   73    69    71    75   0.20800  1.0 3.0
   73    69    71    77   3.75450  1.0 1.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   56    49    54    55   3.62500 -1.0 2.0
   56    49    54    60   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    58    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
   58    51    50    48   1.10000 -1.0 2.0
   50    59    58    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
   49    65    47    43   4.00000 -1.0 2.0
   54    56    49    47   4.00000 -1.0 2.0
   60    55    54    49   1.10000 -1.0 2.0
   61    63    60    54   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   61    66    65    47   4.00000 -1.0 2.0
END
