* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    158    236     462
    1     0 S   NP   _N1_     1    28.94342    94.46451   -20.06789
    2     1 S   H    _HN1     2     1.02865    95.80611    19.66043
    3     1 S   H    _H1_     3     1.02952    38.01121   130.54622
    4     1 S   H    _H2_     4     1.02794    77.71622   -87.74608
    5     1 S   CT   _CA1     5     1.50509   145.12724   161.17815
    6     5 S   HC   _HA1     6     1.09690   104.66190    43.47908
    7     5 S   CO3  _C1_     7     1.54492   110.70564   -72.60086
    8     7 S   O2Z  _O11     8     1.26075   116.71153  -112.64740
    9     7 S   O2Z  _O12     9     1.26560   113.70926    65.79201
   10     5 S   CT   _CB1    10     1.53082   107.01729   159.45664
   11    10 S   HC   HB11    11     1.09831   109.97871   -43.11767
   12    10 S   HC   HB12    12     1.09789   110.22215    73.53262
   13    10 S   CT   _CG1    13     1.53083   112.31731  -163.77822
   14    13 S   HC   HG11    14     1.09441   110.64621   -52.38628
   15    13 S   HC   HG12    15     1.09629   110.09546    66.25460
   16    13 S   C    _CD1    16     1.51845   111.62947  -174.14944
   17    16 S   O    _OE1    17     1.22802   122.80998   -22.65502
   18    16 S   N    _N2_    18     1.38496   112.13555   158.62456
   19    18 S   H    _HN2    19     1.01590   119.14396    -0.15066
   20    18 S   CT1  _CA2    20     1.46254   123.44877  -176.94290
   21    20 S   HC   _HA2    21     1.09715   109.43072   -11.65141
   22    20 S   C    _C2_    22     1.53411   108.66634  -127.65413
   23    22 S   O    _O2_    23     1.23036   122.20878  -147.67618
   24    20 S   CT   _CB2    32     1.53401   111.08183   110.34443
   25    24 S   HC   HB21    33     1.09428   109.14077    56.52737
   26    24 S   HC   HB22    34     1.09496   110.71177   174.91778
   27    22 S   N    _N3_    24     1.38503   113.43831    39.86663
   28    27 S   H    _HN3    25     1.01523   118.83604    -0.92873
   29    24 S   S    _SG2    35     1.82883   111.76391   -65.44015
   30    27 S   CT   _CA3    26     1.45435   123.47397   175.17002
   31    30 S   HC   HA31    27     1.09523   109.26247    23.84537
   32    30 S   HC   HA32    28     1.09497   107.11342   140.83637
   33    29 S   CT   _C23    36     1.83786    99.76107   159.15923
   34    33 S   HC   _H3_    37     1.09155   103.95826    51.19725
   35    30 S   CO3  _C3_    29     1.52915   113.11573   -99.66170
   36    35 S   O2Z  _O31    30     1.26404   115.41000   -44.75492
   37    35 S   O2Z  _O32    31     1.26356   114.99733   136.21716
   38    33 S   CM   _C11    38     1.53580   112.28848   -69.76645
   39    33 S   CT   _C22    83     1.53641   109.88265   164.71792
   40    39 S   HC   _H49    84     1.09542   112.64975    48.01772
   41    39 S   HC   _H50    85     1.09594   110.34645   169.17734
   42    38 S   CMA  _C12    39     1.37050   122.56006   119.00289
   43    42 S   OM   _O21    40     1.26916   124.76571   179.36357
   44    38 S   CT   _C21    78     1.52615   116.19878   -63.57126
   45    44 S   HC   _H47    79     1.09459   112.77064  -158.05120
   46    44 S   HC   _H48    80     1.09379   111.13296   -38.90819
   47    39 S   OH   _O25    86     1.42633   109.98904   -73.04496
   48    47 S   HO   _H53    87     0.97231   106.94147  -179.94405
   49    42 S   OS   _O26    41     1.41858   111.71337    -2.51380
   50    44 S   OH   _O24    81     1.42072   109.92003    81.46998
   51    50 S   HO   _H52    82     0.97540   107.52644  -179.96044
   52    49 S   CT   _C18    42     1.44059   118.62185   156.55911
   53    52 S   HC   _H40    43     1.09366   109.64162    27.99369
   54    52 S   CT   _C14    44     1.56458   109.08423   -86.62217
   55    54 S   HC   _H34    45     1.09861   106.99592   151.69184
   56    54 S   HC   _H35    46     1.09790   109.79827    37.82310
   57    52 S   CT   _C17    61     1.56145   109.74619   145.67490
   58    57 S   HC   _H39    62     1.09544   109.24489   136.69669
   59    54 S   CM   _C6_    47     1.52127   117.91811   -86.65146
   60    57 S   CM   _C8_    63     1.50218   118.65583  -105.02882
   61    59 S   CM   _C4_    48     1.34864   120.62053    69.68160
   62    61 S   HC   _H28    49     1.08835   117.89894     5.04791
   63    60 S   CO4  _C9_    64     1.48653   107.76008   155.52460
   64    63 S   O    _O22    65     1.21760   127.05966   165.60798
   65    60 S   CM   _C10    67     1.33584   131.48698   -24.38125
   66    65 S   HC   _H30    68     1.08383   121.80792    -0.65819
   67    65 S   HC   _H31    69     1.08555   121.47450   179.75134
   68    59 S   CT   _C19    74     1.50661   114.57114  -108.28369
   69    68 S   HC   _H41    75     1.09571   109.63859   -58.58818
   70    68 S   HC   _H42    76     1.09116   113.80377  -177.80501
   71    68 S   HC   _H43    77     1.09363   110.97908    60.66663
   72    61 S   CT   _C13    50     1.51279   127.22594  -164.83715
   73    72 S   HC   _H32    51     1.09639   108.91309  -136.02647
   74    72 S   HC   _H33    52     1.09310   112.06357   -19.24119
   75    86 S   OS   _O23    66     1.43116   112.81630   -54.80354
   76    72 S   CT   _C15    53     1.55189   111.75689   103.19490
   77    76 S   HC   _H36    54     1.09654   109.98584  -165.90806
   78    76 S   HC   _H37    55     1.09849   108.71565    78.83606
   79    76 S   CM   _C7_    56     1.52274   111.85321   -42.97777
   80    79 S   CM   _C5_    57     1.34828   117.41413    89.06173
   81    80 S   HC   _H29    58     1.08967   116.80022     8.47952
   82    79 S   CT   _C20    70     1.49973   115.84347   -82.67894
   83    82 S   HC   _H44    71     1.09498   109.68673   -68.40015
   84    82 S   HC   _H45    72     1.09150   113.31947   171.56103
   85    82 S   HC   _H46    73     1.09386   110.83272    50.83463
   86    80 S   CT   _C16    59     1.49851   129.90058  -158.05352
   87    86 S   HC   _H38    60     1.09994   107.26833  -170.86283
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   6   3   2  10   3   5   3   2   1   1
  10   1   1  16   8  14   5   4  14   7  10   9  12   5   8   3
   4   1   1   4   2   1   1   8   5   4   5  10   4   3   8   7
   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    49    44    45    46    50    39    40    41    47    48  
   38    42    44    39    40    41    47  
   36    37  
   37  
    0  
   42    43    49    52    44    45    46    50    51    39    40    41    47  
   40    41    47    48    42    44  
   41    47    48  
   47    48  
   43    49    52    53    54    57    44    45    46    50  
   49    52    44  
   45    46    50    51    49  
   46    50    51  
   50    51  
   48  
    0  
   52    53    54    55    56    59    86    57    58    60  
   51  
    0  
   53    54    55    56    59    61    80    86    87    57    58    60    63    75    65    68  
   54    55    56    59    86    57    58    60  
   55    56    59    61    62    72    86    57    58    60    68    69    70    71  
   56    59    61    57    68  
   59    61    57    68  
   58    60    63    64    75    65    66    67    59    79    80    81    86    87  
   60    63    75    65    80    86    87  
   61    62    72    73    74    76    68    69    70    71  
   63    64    75    65    66    67    80    86    87  
   62    72    73    74    76    77    78    79    68    69    70    71  
   72    73    74    76    68  
   64    75    65    66    67    80    86    87  
   75    65    86  
   66    67    75    86  
   67  
    0  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    76    77    78    79    80    82  
   74    76    77    78    79  
   76    77    78    79  
   79    80    81    86    87  
   77    78    79    80    81    86    82    83    84    85  
   78    79    80    82  
   79    80    82  
   80    81    86    87    82    83    84    85  
   81    86    87    82    83    84    85  
   86    87    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   317.000  1.510
   59    61   549.000  1.340
   59    68   317.000  1.510
   61    62   340.000  1.080
   61    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.510
   79    80   549.000  1.340
   79    82   317.000  1.510
   80    81   340.000  1.080
   80    86   317.000  1.510
   86    87   340.000  1.090
   86    57   268.000  1.529
   86    75   320.000  1.410
   57    58   340.000  1.090
   57    60   317.000  1.510
   60    63   320.000  1.462
   60    65   549.000  1.340
   63    64   570.000  1.229
   63    75   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    51   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    47   320.000  1.410
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    49    80.00000  120.01400
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    50    90.00000  110.39200
   42    49    52    90.00000  111.18400
   49    42    43    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    50.00000  109.50000
   49    52    57    50.00000  109.50000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    59    70.00000  112.02700
   52    57    86    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    60    70.00000  112.02700
   54    52    53    37.50000  110.70000
   54    59    61    70.00000  124.00000
   54    59    68    65.00000  117.92700
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    72    70.00000  124.00000
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   61    72    76    70.00000  112.02700
   72    61    62    35.00000  117.00000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    70.00000  112.02700
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   76    79    80    70.00000  124.00000
   76    79    82    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    80    81    35.00000  120.00000
   79    80    86    70.00000  124.00000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  109.50000
   80    86    57    70.00000  112.02700
   80    86    75    85.00000  110.90400
   86    80    81    35.00000  117.00000
   86    57    58    37.50000  110.70000
   86    57    60    70.00000  112.02700
   86    75    63    83.00000  116.90000
   57    52    53    37.50000  110.70000
   57    52    54    58.35000  112.70000
   57    86    87    37.50000  110.70000
   57    60    63    65.00000  116.34900
   57    60    65    70.00000  124.00000
   60    57    58    35.00000  109.50000
   60    63    64    80.00000  123.72100
   60    63    75    90.00000  111.29400
   60    65    66    35.00000  120.00000
   60    65    67    35.00000  120.00000
   75    86    87    35.00000  109.50000
   75    86    57    50.00000  109.50000
   75    63    64    83.00000  123.40000
   65    60    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   82    79    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   68    59    61    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   44    38    42    70.00000  124.00000
   44    50    51    55.00000  108.50000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    47    48    55.00000  108.50000
   41    39    40    33.00000  107.80000
   47    39    40    35.00000  109.50000
   47    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    47   0.56750  1.0 1.0
   29    33    39    47  -0.07550 -1.0 2.0
   29    33    39    47   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    50   0.18000  1.0 1.0
   33    38    44    50   0.16450 -1.0 2.0
   33    38    44    50   0.04450  1.0 3.0
   33    39    47    48  -0.11600  1.0 1.0
   33    39    47    48  -0.09450 -1.0 2.0
   33    39    47    48   0.21250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    47   0.23400  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    47   1.05650  1.0 1.0
   38    33    39    47   0.15600 -1.0 2.0
   38    33    39    47   0.53150  1.0 3.0
   38    42    49    52  -2.26850  1.0 1.0
   38    42    49    52   3.39050 -1.0 2.0
   38    44    50    51  -0.07800  1.0 1.0
   38    44    50    51  -0.21500 -1.0 2.0
   38    44    50    51  -0.03150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    50   0.67800  1.0 1.0
   42    38    44    50   0.47050 -1.0 2.0
   42    38    44    50  -0.62500  1.0 3.0
   42    49    52    53   0.08050  1.0 3.0
   42    49    52    54  -0.46850  1.0 1.0
   42    49    52    54   0.09300 -1.0 2.0
   42    49    52    54  -0.12850  1.0 3.0
   42    49    52    57  -0.46850  1.0 1.0
   42    49    52    57   0.09300 -1.0 2.0
   42    49    52    57  -0.12850  1.0 3.0
   43    42    49    52   2.00000 -1.0 2.0
   49    52    54    55   0.23400  1.0 3.0
   49    52    54    56   0.23400  1.0 3.0
   49    52    54    59   0.61850  1.0 1.0
   49    52    54    59  -0.22750 -1.0 2.0
   49    52    54    59   0.15300  1.0 3.0
   49    52    57    86   0.62750  1.0 1.0
   49    52    57    86  -0.30950 -1.0 2.0
   49    52    57    86   0.27300  1.0 3.0
   49    52    57    58   0.23400  1.0 3.0
   49    52    57    60   0.61850  1.0 1.0
   49    52    57    60  -0.22750 -1.0 2.0
   49    52    57    60   0.15300  1.0 3.0
   52    54    59    61   0.09850  1.0 1.0
   52    54    59    61   0.15250 -1.0 2.0
   52    54    59    61  -0.50650  1.0 3.0
   52    54    59    68   0.46850  1.0 1.0
   52    54    59    68   0.08550 -1.0 2.0
   52    54    59    68   0.09800  1.0 3.0
   52    57    60    63   0.09700  1.0 1.0
   52    57    60    63   0.15600 -1.0 2.0
   52    57    60    63  -0.50800  1.0 3.0
   52    57    60    65   0.09850  1.0 1.0
   52    57    60    65   0.15250 -1.0 2.0
   52    57    60    65  -0.50650  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    57    86   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   54    52    57    86   0.56750  1.0 1.0
   54    52    57    86  -0.07550 -1.0 2.0
   54    52    57    86   0.20000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    60   0.34400  1.0 1.0
   54    52    57    60   0.09450 -1.0 2.0
   54    52    57    60   0.11100  1.0 3.0
   54    59    61    62   7.00000 -1.0 2.0
   54    59    61    72   7.00000 -1.0 2.0
   54    59    68    69   0.34800  1.0 3.0
   54    59    68    70   0.34800  1.0 3.0
   54    59    68    71   0.34800  1.0 3.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    68   0.34800  1.0 3.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    68   0.34800  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   59    61    72    76   0.09850  1.0 1.0
   59    61    72    76   0.15250 -1.0 2.0
   59    61    72    76  -0.50650  1.0 3.0
   61    59    68    69   0.00000  1.0 1.0
   61    59    68    70   0.00000  1.0 1.0
   61    59    68    71   0.00000  1.0 1.0
   61    72    76    77   0.15000  1.0 3.0
   61    72    76    78   0.15000  1.0 3.0
   61    72    76    79   0.31000  1.0 1.0
   61    72    76    79   0.14700 -1.0 2.0
   61    72    76    79   0.07550  1.0 3.0
   62    61    72    73   0.33100  1.0 3.0
   62    61    72    74   0.33100  1.0 3.0
   62    61    72    76   0.00000  1.0 1.0
   72    76    79    80   0.09850  1.0 1.0
   72    76    79    80   0.15250 -1.0 2.0
   72    76    79    80  -0.50650  1.0 3.0
   72    76    79    82   0.46850  1.0 1.0
   72    76    79    82   0.08550 -1.0 2.0
   72    76    79    82   0.09800  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
   76    79    80    81   7.00000 -1.0 2.0
   76    79    80    86   7.00000 -1.0 2.0
   76    79    82    83   0.34800  1.0 3.0
   76    79    82    84   0.34800  1.0 3.0
   76    79    82    85   0.34800  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    82   0.34800  1.0 3.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    82   0.34800  1.0 3.0
   79    80    86    87   0.00000  1.0 1.0
   79    80    86    57   0.09850  1.0 1.0
   79    80    86    57   0.15250 -1.0 2.0
   79    80    86    57  -0.50650  1.0 3.0
   79    80    86    75   0.39000  1.0 1.0
   79    80    86    75  -0.05800 -1.0 2.0
   79    80    86    75  -0.55150  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   80    86    57    52   0.34400  1.0 1.0
   80    86    57    52   0.09450 -1.0 2.0
   80    86    57    52   0.11100  1.0 3.0
   80    86    57    58   0.15000  1.0 3.0
   80    86    57    60   0.31000  1.0 1.0
   80    86    57    60   0.14700 -1.0 2.0
   80    86    57    60   0.07550  1.0 3.0
   80    86    75    63  -0.82050  1.0 1.0
   80    86    75    63   0.00600 -1.0 2.0
   80    86    75    63   0.04400  1.0 3.0
   81    80    86    87   0.33100  1.0 3.0
   81    80    86    57   0.00000  1.0 1.0
   81    80    86    75   0.00000  1.0 1.0
   86    57   -60    63   0.09700  1.0 1.0
   86    57   -60    63   0.15600 -1.0 2.0
   86    57   -60    63  -0.50800  1.0 3.0
   86    57    60    65   0.09850  1.0 1.0
   86    57    60    65   0.15250 -1.0 2.0
   86    57    60    65  -0.50650  1.0 3.0
   87    86    57    52   0.15000  1.0 3.0
   87    86    57    58   0.15000  1.0 3.0
   87    86    57    60   0.15000  1.0 3.0
   87    86    75    63   0.08050  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    59   0.34400  1.0 1.0
   57    52    54    59   0.09450 -1.0 2.0
   57    52    54    59   0.11100  1.0 3.0
   57    86   -75    63  -0.25900  1.0 1.0
   57    86   -75    63  -0.47000 -1.0 2.0
   57    86   -75    63   0.11750  1.0 3.0
   57    60    63    64  -0.64400  1.0 1.0
   57    60    63    64   0.26850 -1.0 2.0
   57    60   -63    75  -0.15000  1.0 1.0
   57    60   -63    75   0.89550 -1.0 2.0
   57    60   -63    75  -0.06900  1.0 3.0
   57    60    65    66   7.00000 -1.0 2.0
   57    60    65    67   7.00000 -1.0 2.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    60    65   0.00000  1.0 1.0
   60    63   -75    86   2.00000 -1.0 2.0
   63    60    65    66   7.00000 -1.0 2.0
   63    60    65    67   7.00000 -1.0 2.0
   64    63    75    86   3.00000 -1.0 2.0
   75    86    57    52   0.62750  1.0 1.0
   75    86    57    52  -0.30950 -1.0 2.0
   75    86    57    52   0.27300  1.0 3.0
   75    86    57    58   0.23400  1.0 3.0
   75    86   -57    60   0.61850  1.0 1.0
   75    86   -57    60  -0.22750 -1.0 2.0
   75    86   -57    60   0.15300  1.0 3.0
   65    60    63    64   1.00000 -1.0 2.0
   65    60    63    75  -0.56150  1.0 1.0
   65    60    63    75   2.19150 -1.0 2.0
   82    79    80    81   7.00000 -1.0 2.0
   82    79    80    86   7.00000 -1.0 2.0
   68    59    61    62   7.00000 -1.0 2.0
   68    59    61    72   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    49   7.00000 -1.0 2.0
   45    44    50    51   0.19450  1.0 3.0
   46    44    50    51   0.19450  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   40    39    47    48   0.19450  1.0 3.0
   41    39    47    48   0.19450  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    44    38    42  15.00000 -1.0 2.0
   43    49    42    38  15.00000 -1.0 2.0
   54    68    59    61   1.10000 -1.0 2.0
   72    62    61    59   1.10000 -1.0 2.0
   76    82    79    80   1.10000 -1.0 2.0
   86    81    80    79   1.10000 -1.0 2.0
   57    63    60    65   1.10000 -1.0 2.0
   60    75    63    64  10.50000 -1.0 2.0
   66    67    65    60   1.10000 -1.0 2.0
END
