* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    208     398
    1     0 S   NP   _N1_     1    28.29358    97.67887   -20.70718
    2     1 S   H    _HN1     2     1.02837    45.57411   142.89176
    3     1 S   H    _H1_     3     1.02780    92.00719  -103.78461
    4     1 S   H    _H2_     4     1.02958    72.30540     4.81967
    5     1 S   CT   _CA1     5     1.50123   152.09651   105.14231
    6     5 S   HC   _HA1     6     1.09582   105.19799    87.02515
    7     5 S   CO3  _C1_     7     1.53730   112.38001   -33.06904
    8     7 S   O2Z  _O11     8     1.26353   115.00611   -44.98435
    9     7 S   O2Z  _O12     9     1.26243   114.91683   134.11014
   10     5 S   CT   _CB1    10     1.53092   107.41622  -155.19591
   11    10 S   HC   HB11    11     1.09824   109.16729   -51.81527
   12    10 S   HC   HB12    12     1.09813   110.51440    64.70264
   13    10 S   CT   _CG1    13     1.52998   112.66933  -172.95945
   14    13 S   HC   HG11    14     1.09618   110.43029   -66.42004
   15    13 S   HC   HG12    15     1.09665   109.92626    52.73369
   16    13 S   C    _CD1    16     1.51862   112.39010   172.96057
   17    16 S   O    _OE1    17     1.22742   123.31356    -0.46897
   18    16 S   N    _N2_    18     1.38477   111.61322   179.75611
   19    18 S   H    _HN2    19     1.01566   119.01910     3.59706
   20    18 S   CT1  _CA2    20     1.45922   123.18163   177.03060
   21    20 S   HC   _HA2    21     1.09733   109.05788    21.71435
   22    20 S   C    _C2_    22     1.52892   106.86790   -95.18705
   23    22 S   O    _O2_    23     1.22991   123.04223   -28.10154
   24    20 S   CT   _CB2    32     1.53304   111.87256   145.05210
   25    24 S   HC   HB21    33     1.09532   109.21810    50.48211
   26    24 S   HC   HB22    34     1.09186   109.87648   169.24538
   27    22 S   N    _N3_    24     1.38525   112.58270   154.30906
   28    27 S   H    _HN3    25     1.01660   120.31813    -0.88116
   29    24 S   S    _SG2    35     1.83406   109.86518   -70.21628
   30    27 S   CT   _CA3    26     1.45337   122.44150   178.73005
   31    30 S   HC   HA31    27     1.09569   107.48146   -62.38994
   32    30 S   HC   HA32    28     1.09569   107.91252    53.90371
   33    29 S   CT   _C16    36     1.87629   104.10277   178.33987
   34    33 S   OM   _O34    37     1.32393   109.44038   -33.31484
   35    30 S   CO3  _C3_    29     1.52883   114.43017   175.83378
   36    35 S   O2Z  _O31    30     1.26321   116.13325    -3.77455
   37    35 S   O2Z  _O32    31     1.26459   114.38532   176.35793
   38    33 S   CM   _C15    38     1.54096   112.22129    84.05951
   39    38 S   CMA  _C14    39     1.36173   124.16116   149.93944
   40    39 S   OM   _O36    40     1.26307   132.53553   179.80021
   41    38 S   CO4  _C17    72     1.49662   121.31612   -30.41144
   42    41 S   O    _O35    73     1.23013   120.97566   -87.41774
   43    39 S   CM   _C13    41     1.46447   117.60023     0.68813
   44    43 S   HC   _H8_    42     1.08895   119.32207   163.63613
   45    41 S   CT   _C18    74     1.50750   117.40232    92.84336
   46    45 S   HC   _H9_    75     1.09316   109.13872   117.59605
   47    45 S   HC   _H10    76     1.09363   111.24697    -2.15930
   48    45 S   HC   _H11    77     1.09322   109.27723  -122.10748
   49    43 S   CM   _C12    43     1.34317   122.60958   -18.95174
   50    49 S   HC   _H7_    44     1.08720   118.74037  -175.78778
   51    33 S   CT   _C11    45     1.63183   108.77616  -154.24885
   52    51 S   CA   _C9_    46     1.58274   113.26633    73.33842
   53    51 S   CT   _C19    68     1.57208   111.40805   -54.41010
   54    53 S   HC   _H12    69     1.09765   112.46936   -64.10905
   55    53 S   HC   _H13    70     1.09828   111.05606   176.48091
   56    53 S   HC   _H14    71     1.09137   114.30855    54.82635
   57    52 S   CA   _C8_    47     1.41487   123.28971   -98.87067
   58    57 S   CA   _C7_    48     1.41218   121.79690  -177.35780
   59    57 S   OH   _O37    66     1.37104   119.44637     4.49902
   60    59 S   HO   _H15    67     0.97206   110.46432  -167.48229
   61    58 S   CA   _C6_    49     1.39795   120.40182     1.23496
   62    58 S   CO4  _C20    60     1.48623   119.60916  -179.54673
   63    62 S   O    _O38    61     1.22852   119.09379   -48.32576
   64    61 S   CA   _C5_    50     1.39910   120.35335    -2.74081
   65    61 S   OH   _O39    58     1.37069   118.23671   176.52520
   66    65 S   HO   _H19    59     0.96983   110.49814   178.17126
   67    62 S   CT   _C21    62     1.50560   118.88178   129.93680
   68    67 S   HC   _H16    63     1.09255   109.74453   103.68745
   69    67 S   HC   _H17    64     1.09338   111.38543   -18.30897
   70    67 S   HC   _H18    65     1.09343   108.64924  -136.58835
   71    52 S   CA   _C10    51     1.42663   121.26146    81.54286
   72    64 S   CT   _C4_    54     1.50756   120.67844  -178.49221
   73    72 S   HC   _H3_    55     1.09504   109.97073    62.18333
   74    72 S   HC   _H4_    56     1.09353   113.25467  -177.81627
   75    72 S   HC   _H5_    57     1.09524   110.06833   -58.52066
   76    71 S   OH   _O33    52     1.37710   121.01166    -6.03673
   77    76 S   HO   _H6_    53     0.97633   107.31557   -32.27519
  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
  18   7   2   1   1  14   9   4   7   4   6   3   3   2   1   1
   9   3  11  15   5   2   1   1  11  14   4   1  12   7   4   9
   3   1   3   2   1   1   6   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    51    52    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    50    51    52    57    71    53    54    55    56    41    42    45  
   38    39    49    51    52    53    41  
   36    37  
   37  
    0  
   39    40    43    44    49    51    52    53    41    42    45    46    47    48  
   40    43    44    49    50    51    41    42    45  
   43    44    49    41  
   42    45    46    47    48    43    51  
   45    46    47    48  
   44    49    50    51    52    53  
   49    50    51  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    57    71    53    54    55    56  
   51    52    53  
   52    57    58    64    71    76    59    53    54    55    56  
   57    58    61    64    71    76    77    72    62    59    60    53    54    55    56  
   54    55    56    57    71  
   55    56  
   56  
    0  
   58    61    64    71    76    65    62    63    67    59    60  
   61    64    71    72    65    66    62    63    67    68    69    70    59    60  
   60    61    62    71  
    0  
   64    71    76    72    73    74    75    65    66    62    63    67  
   63    67    68    69    70    64    65  
   67    68    69    70  
   71    76    77    72    73    74    75    65    66  
   66    71    72  
    0  
   68    69    70  
   69    70  
   70  
    0  
   76    77    72    73    74    75  
   73    74    75    76  
   74    75  
   75  
    0  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    51   268.000  1.529
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   317.000  1.510
   51    53   268.000  1.529
   52    57   469.000  1.400
   52    71   469.000  1.400
   57    58   469.000  1.400
   57    59   450.000  1.364
   58    61   469.000  1.400
   58    62   310.000  1.470
   61    64   469.000  1.400
   61    65   450.000  1.364
   64    71   469.000  1.400
   64    72   317.000  1.510
   71    76   450.000  1.364
   76    77   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
   62    63   570.000  1.229
   62    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    51    49    70.00000  112.02700
   33    51    52    70.00000  112.17500
   33    51    53    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    80.00000  123.72100
   38    41    45    65.00000  118.62400
   39    43    44    40.00000  120.50800
   39    43    49    70.00000  117.34000
   43    39    40    65.00000  137.10300
   43    49    50    35.00000  120.00000
   43    49    51    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    51    52    70.00000  112.99600
   49    51    53    70.00000  112.02700
   51    33    34    50.00000  109.50000
   51    33    38    70.00000  112.02700
   51    49    50    35.00000  117.00000
   51    52    57    70.00000  120.00000
   51    52    71    70.00000  120.00000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    37.50000  110.70000
   52    57    58    63.00000  120.00000
   52    57    59    70.00000  120.00000
   52    71    64    63.00000  120.00000
   52    71    76    70.00000  120.00000
   57    58    61    63.00000  120.00000
   57    58    62    60.00000  119.52600
   57    59    60    35.00000  113.00000
   58    61    64    63.00000  120.00000
   58    61    65    70.00000  120.00000
   58    62    63    75.00000  123.78400
   58    62    67    65.00000  115.47100
   61    64    71    63.00000  120.00000
   61    64    72    70.00000  120.00000
   61    65    66    35.00000  113.00000
   64    71    76    70.00000  120.00000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   71    52    57    63.00000  120.00000
   71    76    77    35.00000  113.00000
   72    64    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    61    64    70.00000  120.00000
   62    58    61    60.00000  119.52600
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   67    62    63    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    57    58    70.00000  120.00000
   53    51    52    70.00000  112.17500
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   45    41    42    80.00000  120.40000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    51    49   0.56750  1.0 1.0
   29    33    51    49  -0.07550 -1.0 2.0
   29    33    51    49   0.20000  1.0 3.0
   29    33    51    52   0.56750  1.0 1.0
   29    33    51    52  -0.07550 -1.0 2.0
   29    33    51    52   0.20000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    45   0.25700  1.0 1.0
   33    38    41    45   0.66200 -1.0 2.0
   33    38    41    45   0.04450  1.0 3.0
   33    51    52    57   0.04150 -1.0 2.0
   33    51    52    71   0.04150 -1.0 2.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.15000  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    51    49   0.61850  1.0 1.0
   34    33    51    49  -0.22750 -1.0 2.0
   34    33    51    49   0.15300  1.0 3.0
   34    33    51    52  -0.64350  1.0 1.0
   34    33    51    52  -0.04200 -1.0 2.0
   34    33    51    52   0.19800  1.0 3.0
   34    33    51    53   0.62750  1.0 1.0
   34    33    51    53  -0.30950 -1.0 2.0
   34    33    51    53   0.27300  1.0 3.0
   38    33    51    49   0.31000  1.0 1.0
   38    33    51    49   0.14700 -1.0 2.0
   38    33    51    49   0.07550  1.0 3.0
   38    33    51    52   0.21200  1.0 1.0
   38    33    51    52   0.16900 -1.0 2.0
   38    33    51    52  -1.15100  1.0 3.0
   38    33    51    53   0.34400  1.0 1.0
   38    33    51    53   0.09450 -1.0 2.0
   38    33    51    53   0.11100  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    49   7.00000 -1.0 2.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.00000  1.0 1.0
   38    41    45    48   0.00000  1.0 1.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    45  -0.33500  1.0 1.0
   39    38    41    45   1.06600 -1.0 2.0
   39    38    41    45  -0.14000  1.0 3.0
   39    43    49    50   7.00000 -1.0 2.0
   39    43    49    51   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    49   7.00000 -1.0 2.0
   43    49   -51    33   0.09850  1.0 1.0
   43    49   -51    33   0.15250 -1.0 2.0
   43    49   -51    33  -0.50650  1.0 3.0
   43    49    51    52   1.44450  1.0 1.0
   43    49    51    52   0.06600 -1.0 2.0
   43    49    51    52   0.29250  1.0 3.0
   43    49    51    53   0.09850  1.0 1.0
   43    49    51    53   0.15250 -1.0 2.0
   43    49    51    53  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    51   7.00000 -1.0 2.0
   49    51    52    57   0.18050 -1.0 2.0
   49    51    52    71   0.18050 -1.0 2.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    55   0.15000  1.0 3.0
   49    51    53    56   0.15000  1.0 3.0
   50    49    51    33   0.00000  1.0 1.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    52    57    58   3.62500 -1.0 2.0
   51    52    57    59   3.62500 -1.0 2.0
   51    52    71    64   3.62500 -1.0 2.0
   51    52    71    76   3.62500 -1.0 2.0
   52    51    53    54   0.43200  1.0 3.0
   52    51    53    55   0.43200  1.0 3.0
   52    51    53    56   0.43200  1.0 3.0
   52    57    58    61   3.62500 -1.0 2.0
   52    57    58    62   3.62500 -1.0 2.0
   52    57    59    60   0.84100 -1.0 2.0
   52    71    76    77   0.84100 -1.0 2.0
   57    52    71    64   3.62500 -1.0 2.0
   57    52    71    76   3.62500 -1.0 2.0
   57    58   -61    64   3.62500 -1.0 2.0
   57    58    61    65   3.62500 -1.0 2.0
   57    58    62    63   1.05000 -1.0 2.0
   57    58    62    67   2.26350  1.0 1.0
   57    58    62    67   0.76750 -1.0 2.0
   57    58    62    67   0.22500  1.0 3.0
   58    57    59    60   0.84100 -1.0 2.0
   58    61    64    71   3.62500 -1.0 2.0
   58    61    64    72   3.62500 -1.0 2.0
   58    61    65    66   0.84100 -1.0 2.0
   58    62    67    68   0.00000  1.0 1.0
   58    62    67    69   0.00000  1.0 1.0
   58    62    67    70   0.00000  1.0 1.0
   61    58    62    63   1.05000 -1.0 2.0
   61    58    62    67   2.26350  1.0 1.0
   61    58    62    67   0.76750 -1.0 2.0
   61    58    62    67   0.22500  1.0 3.0
   61    64   -71    52   3.62500 -1.0 2.0
   61    64    71    76   3.62500 -1.0 2.0
   61    64    72    73   0.00000  1.0 1.0
   61    64    72    74   0.00000  1.0 1.0
   61    64    72    75   0.00000  1.0 1.0
   64    61    65    66   0.84100 -1.0 2.0
   64    71    76    77   0.84100 -1.0 2.0
   71    52   -57    58   3.62500 -1.0 2.0
   71    52    57    59   3.62500 -1.0 2.0
   71    64    72    73   0.00000  1.0 1.0
   71    64    72    74   0.00000  1.0 1.0
   71    64    72    75   0.00000  1.0 1.0
   72    64    71    52   3.62500 -1.0 2.0
   72    64    71    76   3.62500 -1.0 2.0
   65    61    64    71   3.62500 -1.0 2.0
   65    61    64    72   3.62500 -1.0 2.0
   62    58    61    64   3.62500 -1.0 2.0
   62    58    61    65   3.62500 -1.0 2.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    70   0.00000  1.0 1.0
   59    57    58    61   3.62500 -1.0 2.0
   59    57    58    62   3.62500 -1.0 2.0
   53    51    52    57   0.04150 -1.0 2.0
   53    51    52    71   0.04150 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    44    43    49   1.10000 -1.0 2.0
   51    50    49    43   1.10000 -1.0 2.0
   57    71    52    51   4.00000 -1.0 2.0
   58    59    57    52   4.00000 -1.0 2.0
   61    62    58    57   4.00000 -1.0 2.0
   64    65    61    58   4.00000 -1.0 2.0
   71    72    64    61   4.00000 -1.0 2.0
   64    76    71    52   4.00000 -1.0 2.0
   58    67    62    63  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
