* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    166    251     479
    1     0 S   NP   _N1_     1    29.08645    92.18480   -21.85870
    2     1 S   H    _HN1     2     1.03086   104.65835    39.94485
    3     1 S   H    _H1_     3     1.02810    15.59113   141.44916
    4     1 S   H    _H2_     4     1.02780    94.83178   -70.06764
    5     1 S   CT   _CA1     5     1.50216   125.03928   168.51547
    6     5 S   HC   _HA1     6     1.09551   105.42499    53.13199
    7     5 S   CO3  _C1_     7     1.53817   112.21924   -67.41117
    8     7 S   O2Z  _O11     8     1.26372   115.07883   -46.06729
    9     7 S   O2Z  _O12     9     1.26245   114.88066   133.11878
   10     5 S   CT   _CB1    10     1.52848   107.05665   171.11655
   11    10 S   HC   HB11    11     1.09830   109.46136   -50.46045
   12    10 S   HC   HB12    12     1.09588   109.91008    65.98493
   13    10 S   CT   _CG1    13     1.52910   113.66818  -172.38400
   14    13 S   HC   HG11    14     1.09537   110.45213   -56.99670
   15    13 S   HC   HG12    15     1.09555   110.54943    62.70629
   16    13 S   C    _CD1    16     1.51720   110.66564  -177.50088
   17    16 S   O    _OE1    17     1.22864   122.76859   -22.49762
   18    16 S   N    _N2_    18     1.38358   112.57726   158.34935
   19    18 S   H    _HN2    19     1.01593   119.37874     1.60376
   20    18 S   CT1  _CA2    20     1.46095   122.68151  -175.66519
   21    20 S   HC   _HA2    21     1.09615   109.05997   -18.87356
   22    20 S   C    _C2_    22     1.53185   108.59553  -133.99309
   23    22 S   O    _O2_    23     1.22985   122.30249  -145.65257
   24    20 S   CT   _CB2    32     1.53504   111.51503   103.17203
   25    24 S   HC   HB21    33     1.09656   109.46855    59.52258
   26    24 S   HC   HB22    34     1.09485   111.24461   176.89512
   27    22 S   N    _N3_    24     1.38555   113.13985    42.16236
   28    27 S   H    _HN3    25     1.01550   118.96083    -1.22685
   29    24 S   S    _SG2    35     1.83009   113.87255   -59.65983
   30    27 S   CT   _CA3    26     1.45395   123.21326   173.84012
   31    30 S   HC   HA31    27     1.09536   108.96875    29.59141
   32    30 S   HC   HA32    28     1.09482   107.19781   146.68922
   33    29 S   CT   _C10    36     1.82602   100.28011   -74.98406
   34    33 S   HC   _H4_    37     1.09546   108.82149    49.04249
   35    30 S   CO3  _C3_    29     1.52955   113.30405   -93.57193
   36    35 S   O2Z  _O31    30     1.26417   115.55138   -38.25858
   37    35 S   O2Z  _O32    31     1.26349   114.89285   142.64695
   38    33 S   CT   _C11    38     1.52309   115.01732   -74.15483
   39    38 S   HC   _H5_    39     1.09416   113.52891    78.14799
   40    38 S   CT   _C12    40     1.52618   102.37002  -158.95736
   41    40 S   HC   _H6_    41     1.09586   112.39609   146.48294
   42    38 S   OH   _O45    89     1.42824   110.77134   -43.84356
   43    42 S   HO   _H20    90     0.97273   107.56360  -178.19593
   44    40 S   OS   _O33    42     1.44603   106.17512    30.19390
   45    40 S   CT   _C13    59     1.52644   112.71498   -88.70109
   46    45 S   HC   _H13    60     1.09354   111.45155    63.59234
   47    45 S   HC   _H14    61     1.09449   110.40967   -57.82765
   48    33 S   CO   _C9_    43     1.52965   112.54480   170.31454
   49    48 S   HC   _H3_    44     1.09679   112.64595    39.71601
   50    45 S   OS   _O34    62     1.42382   108.38225  -176.57766
   51    48 S   N*   _N6_    45     1.45087   114.54860   -84.55848
   52    50 S   P2   _P1_    63     1.63476   118.90658  -173.45009
   53    52 S   O2Z  _O36    64     1.51199   107.73299   179.59652
   54    52 S   O2Z  _O35    65     1.51288   108.65187   -47.70932
   55    51 S   CRAB _C8_    46     1.37051   126.71010   -76.64251
   56    55 S   HA   _H12    47     1.08128   122.76040    -0.13988
   57    52 S   OS   _O37    66     1.62686    98.93441    66.06405
   58    55 S   NNA  _N7_    48     1.31613   112.13717   179.93744
   59    57 S   P2   _P2_    67     1.62673   130.52677   169.17089
   60    59 S   O2Z  _O39    68     1.51252   109.37733    52.76852
   61    59 S   O2Z  _O38    69     1.51260   108.71150   -81.11858
   62    58 S   C56B _C6_    49     1.37383   104.99261     0.36262
   63    59 S   OS   _O40    70     1.63609    98.82239   166.57890
   64    51 S   C56A _C7_    50     1.36986   126.19877   103.70179
   65    63 S   CT   _C14    71     1.42581   118.67822   -69.26214
   66    65 S   HC   _H15    72     1.09419   108.25906   -58.11529
   67    65 S   HC   _H16    73     1.09440   108.66908    60.68349
   68    64 S   NB   _N5_    51     1.34229   128.06613    -0.15323
   69    65 S   CT   _C15    74     1.52752   108.66523  -179.01245
   70    69 S   HC   _H7_    75     1.09541   110.31616   -47.10932
   71    68 S   CQ   _C4_    52     1.34762   110.78455  -179.80416
   72    71 S   HA   _H11    53     1.08507   115.77815   179.54286
   73    69 S   CT   _C16    76     1.52460   112.99884  -173.90799
   74    73 S   HC   _H8_    77     1.09370   114.81083    37.78015
   75    71 S   NB   _N4_    54     1.35485   128.66759    -0.08847
   76    73 S   CT   _C17    78     1.51357   101.78439   -85.37025
   77    76 S   HC   _H9_    79     1.09661   111.06189    79.25045
   78    73 S   OH   _O44    87     1.42880   108.88041   158.90787
   79    78 S   HO   _H19    88     0.97400   106.91708   -65.67226
   80    62 S   CA   _C5_    55     1.40364   131.53748   179.71884
   81    76 S   CO   _C18    80     1.52037   101.88268   -38.34523
   82    81 S   HC   _H10    81     1.09623   111.83386   -87.72572
   83    76 S   OH   _O43    85     1.41559   113.41484  -158.88609
   84    83 S   HO   _H18    86     0.97691   106.91660   -62.19619
   85    80 S   NND  _N8_    56     1.38158   122.16610    -0.03956
   86    85 S   H    _H21    57     1.01158   120.04964    -2.01139
   87    85 S   H    _H22    58     1.00984   119.54798  -176.17433
   88    69 S   OS   _O41    82     1.44885   108.39610    69.51685
   89    81 S   OH   _O42    83     1.41974   109.70167   151.67304
   90    89 S   HO   _H17    84     0.97165   106.63505   162.23183
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   8   7   3   2   6   3   5   6   7   3   2   8   7   6
  10   5   4   4  12   6   4   2  11   7   4  10   7   4   1   3
   6   4   3   1   2   1   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    64    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    64    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    58    62    64    68  
   51    55    64  
   52    53    54    57    59  
   55    56    58    62    64    68    71    80  
   53    54    57    59    60    61    63  
   54    57    59  
   57    59  
   56    58    62    64    68    80  
   58    62    64  
   59    60    61    63    65  
   62    64    68    75    80    85  
   60    61    63    65    66    67    69  
   61    63    65  
   63    65  
   64    68    71    75    80    85    86    87  
   65    66    67    69    70    73    88  
   68    71    72    75    80    85  
   66    67    69    70    73    74    76    81    88    78  
   67    69    70    73    88  
   69    70    73    88  
   71    72    75    80  
   70    73    74    76    77    81    82    88    89    83    78    79  
   73    74    76    81    88    78  
   72    75    80    85  
   75    80  
   74    76    77    81    82    88    89    83    84    78    79  
   76    77    81    88    83    78    79  
   80    85    86    87  
   77    81    82    88    89    90    83    84    78    79  
   81    82    88    89    83    84    78  
   79    81    83    88  
    0  
   85    86    87  
   82    88    89    90    83    84  
   88    89    90    83  
   84    88    89  
    0  
   86    87  
   87  
    0  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   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   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   90   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   268.000  1.529
   33    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   440.000  1.371
   51    64   436.000  1.374
   55    56   367.000  1.080
   55    58   529.000  1.304
   58    62   414.000  1.391
   62    64   447.000  1.419
   62    80   469.000  1.404
   64    68   461.000  1.354
   68    71   502.000  1.324
   71    72   367.000  1.080
   71    75   502.000  1.324
   75    80   483.000  1.339
   80    85   481.000  1.340
   85    86   434.000  1.010
   85    87   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    63   230.000  1.697
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    88   320.000  1.410
   73    74   340.000  1.090
   73    76   268.000  1.529
   73    78   320.000  1.410
   76    77   340.000  1.090
   76    81   250.000  1.527
   76    83   320.000  1.410
   81    82   340.000  1.090
   81    88   320.000  1.380
   81    89   380.000  1.407
   89    90   553.000  0.945
   83    84   553.000  0.945
   78    79   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  128.80000
   48    51    64    70.00000  125.80000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  123.05000
   51    55    58    70.00000  113.90000
   51    64    62    70.00000  106.20000
   51    64    68    70.00000  126.20000
   55    58    62    70.00000  103.80000
   58    55    56    35.00000  123.05000
   58    62    64    70.00000  110.40000
   58    62    80    70.00000  132.40000
   62    64    68    70.00000  127.70000
   62    80    75    70.00000  117.30000
   62    80    85    70.00000  123.50000
   64    51    55    70.00000  105.40000
   64    68    71    70.00000  111.00000
   68    71    72    35.00000  115.45000
   68    71    75    70.00000  129.10000
   71    75    80    70.00000  118.60000
   75    71    72    35.00000  115.45000
   75    80    85    70.00000  119.30000
   80    62    64    85.00000  116.20000
   80    85    86    35.00000  120.00000
   80    85    87    35.00000  120.00000
   87    85    86    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    59    50.00000  132.62000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   57    59    60   100.00000  108.23000
   57    59    61   100.00000  108.23000
   57    59    63    45.00000  102.60000
   59    63    65   100.00000  120.50000
   61    59    60   140.00000  119.90000
   63    59    60   100.00000  108.23000
   63    59    61   100.00000  108.23000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    69    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    88    50.00000  109.50000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    76    58.35000  112.70000
   69    73    78    50.00000  109.50000
   69    88    81    60.00000  109.50000
   73    69    70    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    81    75.00000  109.43000
   73    76    83    50.00000  109.50000
   73    78    79    55.00000  108.50000
   76    73    74    37.50000  110.70000
   76    81    82    45.00000  112.01100
   76    81    88    90.00000  108.56700
   76    81    89    90.00000  110.19100
   76    83    84    55.00000  108.50000
   81    76    77    45.00000  108.72000
   81    89    90    70.00000  107.92000
   88    69    70    35.00000  109.50000
   88    69    73    50.00000  109.50000
   88    81    82    35.00000  109.50000
   89    81    82    60.00000  108.02500
   89    81    88   110.00000  112.08000
   83    76    77    35.00000  109.50000
   83    76    81    90.00000  111.58700
   78    73    74    35.00000  109.50000
   78    73    76    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    55   1.10250  1.0 1.0
   33    48    51    55   0.01650 -1.0 2.0
   33    48    51    55   0.39100  1.0 3.0
   33    48    51    64   1.10250  1.0 1.0
   33    48    51    64   0.01650 -1.0 2.0
   33    48    51    64   0.39100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.64600  1.0 1.0
   38    33    48    51   0.58400 -1.0 2.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55   0.10350  1.0 1.0
   44    48    51    55  -0.15350 -1.0 2.0
   44    48    51    64   0.10350  1.0 1.0
   44    48    51    64  -0.15350 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   48    51    64    62   0.81400  1.0 1.0
   48    51    64    62   1.55550 -1.0 2.0
   48    51    64    68   3.62500 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    64   0.00000  1.0 1.0
   51    55   -58    62   3.62500 -1.0 2.0
   51    64    68    71   3.62500 -1.0 2.0
   55    51   -64    62   0.70250  1.0 1.0
   55    51   -64    62   1.56150 -1.0 2.0
   55    51    64    68   3.62500 -1.0 2.0
   55    58   -62    64   3.62500 -1.0 2.0
   55    58    62    80   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62   -64    51   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    80    75   3.62500 -1.0 2.0
   58    62    80    85   3.62500 -1.0 2.0
   62    64    68    71   3.62500 -1.0 2.0
   62    80    85    86   0.70000 -1.0 2.0
   62    80    85    87   0.70000 -1.0 2.0
   64    51    55    56   3.62500 -1.0 2.0
   64    51   -55    58   3.62500 -1.0 2.0
   64    62    80    75   3.62500 -1.0 2.0
   64    62    80    85   3.62500 -1.0 2.0
   64    68    71    72   3.62500 -1.0 2.0
   64    68   -71    75   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   71    75   -80    62   3.62500 -1.0 2.0
   71    75    80    85   3.62500 -1.0 2.0
   72    71    75    80   3.62500 -1.0 2.0
   75    80    85    86   0.70000 -1.0 2.0
   75    80    85    87   0.70000 -1.0 2.0
   80    62    64    51   3.00000 -1.0 2.0
   80    62   -64    68   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   52    57    59    60   0.50000  1.0 3.0
   52    57    59    61   0.50000  1.0 3.0
   52    57    59    63   0.15000  1.0 3.0
   53    52    57    59   0.50000  1.0 3.0
   54    52    57    59   0.50000  1.0 3.0
   57    59    63    65   0.05050  1.0 1.0
   57    59    63    65  -1.30700 -1.0 2.0
   57    59    63    65   0.91550  1.0 3.0
   59    63    65    66   0.03000  1.0 3.0
   59    63    65    67   0.03000  1.0 3.0
   59    63    65    69  -2.65550  1.0 1.0
   59    63    65    69  -0.22350 -1.0 2.0
   59    63    65    69   0.24150  1.0 3.0
   60    59    63    65   0.00000  1.0 1.0
   61    59    63    65   0.00000  1.0 1.0
   63    65    69    70   0.23400  1.0 3.0
   63    65    69    73   0.62750  1.0 1.0
   63    65    69    73  -0.30950 -1.0 2.0
   63    65    69    73   0.27300  1.0 3.0
   63    65    69    88   1.11900  1.0 1.0
   63    65    69    88  -1.16350 -1.0 2.0
   63    65    69    88  -0.34150  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    76   0.56750  1.0 1.0
   65    69    73    76  -0.07550 -1.0 2.0
   65    69    73    76   0.20000  1.0 3.0
   65    69    73    78   0.86500  1.0 1.0
   65    69    73    78  -0.17500 -1.0 2.0
   65    69    73    78   0.20800  1.0 3.0
   65    69    88    81   0.06250  1.0 1.0
   65    69    88    81  -0.01100 -1.0 2.0
   65    69    88    81   0.28050  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    88   0.23400  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    73   0.15000  1.0 3.0
   67    65    69    88   0.23400  1.0 3.0
   69    73    76    77   0.15000  1.0 3.0
   69    73   -76    81   3.97050  1.0 1.0
   69    73    76    83   0.86500  1.0 1.0
   69    73    76    83  -0.17500 -1.0 2.0
   69    73    76    83   0.20800  1.0 3.0
   69    73    78    79  -0.11600  1.0 1.0
   69    73    78    79  -0.09450 -1.0 2.0
   69    73    78    79   0.21250  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    73    78   0.23400  1.0 3.0
   70    69    88    81   0.37050  1.0 3.0
   73    69   -88    81   0.06250  1.0 1.0
   73    69   -88    81  -0.01100 -1.0 2.0
   73    69   -88    81   0.28050  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76   -81    88   0.62750  1.0 1.0
   73    76   -81    88  -0.30950 -1.0 2.0
   73    76   -81    88   0.27300  1.0 3.0
   73    76    81    89   0.86500  1.0 1.0
   73    76    81    89  -0.17500 -1.0 2.0
   73    76    81    89   0.20800  1.0 3.0
   73    76    83    84  -0.11600  1.0 1.0
   73    76    83    84  -0.09450 -1.0 2.0
   73    76    83    84   0.21250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   74    73    76    83   0.23400  1.0 3.0
   74    73    78    79   0.19450  1.0 3.0
   76    73    78    79  -0.11600  1.0 1.0
   76    73    78    79  -0.09450 -1.0 2.0
   76    73    78    79   0.21250  1.0 3.0
   76    81   -88    69   0.06250  1.0 1.0
   76    81   -88    69  -0.01100 -1.0 2.0
   76    81   -88    69   0.28050  1.0 3.0
   76    81    89    90  -0.11600  1.0 1.0
   76    81    89    90  -0.09450 -1.0 2.0
   76    81    89    90   0.21250  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    88   0.23400  1.0 3.0
   77    76    81    89   0.23400  1.0 3.0
   77    76    83    84   0.19450  1.0 3.0
   81    76    83    84  -0.11600  1.0 1.0
   81    76    83    84  -0.09450 -1.0 2.0
   81    76    83    84   0.21250  1.0 3.0
   82    81    88    69   0.37050  1.0 3.0
   82    81    89    90   0.19450  1.0 3.0
   88    69    73    74   0.23400  1.0 3.0
   88    69   -73    76   0.62750  1.0 1.0
   88    69   -73    76  -0.30950 -1.0 2.0
   88    69   -73    76   0.27300  1.0 3.0
   88    69    73    78   3.69350  1.0 1.0
   88    69    73    78  -1.82950 -1.0 2.0
   88    81    89    90  -0.50000  1.0 1.0
   88    81    89    90  -0.73950 -1.0 2.0
   88    81    89    90   0.17150  1.0 3.0
   89    81    88    69  -0.70900  1.0 1.0
   89    81    88    69  -1.18000 -1.0 2.0
   89    81    88    69   0.91650  1.0 3.0
   83    76    81    82   0.23400  1.0 3.0
   83    76    81    88   3.69350  1.0 1.0
   83    76    81    88  -1.82950 -1.0 2.0
   83    76    81    89   3.75450  1.0 1.0
   78    73    76    77   0.23400  1.0 3.0
   78    73    76    81   0.86500  1.0 1.0
   78    73    76    81  -0.17500 -1.0 2.0
   78    73    76    81   0.20800  1.0 3.0
   78    73    76    83   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   55    64    51    48   4.00000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   64    80    62    58   4.00000 -1.0 2.0
   62    68    64    51   4.00000 -1.0 2.0
   75    72    71    68   1.10000 -1.0 2.0
   75    85    80    62   4.00000 -1.0 2.0
   87    80    85    86   1.00000 -1.0 2.0
END
