* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    149    223     439
    1     0 S   NP   _N1_     1    28.84585    96.67305   -19.60079
    2     1 S   H    _HN1     2     1.02793    86.60600   -93.10262
    3     1 S   H    _H1_     3     1.02946    74.61621    16.93883
    4     1 S   H    _H2_     4     1.02834    47.50612   148.82571
    5     1 S   CT   _CA1     5     1.50161   156.47062   122.97141
    6     5 S   HC   _HA1     6     1.09585   105.14471    79.66040
    7     5 S   CO3  _C1_     7     1.53815   112.07253   -40.32116
    8     7 S   O2Z  _O11     8     1.26358   115.05935   -50.56530
    9     7 S   O2Z  _O12     9     1.26219   114.86594   128.00826
   10     5 S   CT   _CB1    10     1.53059   107.32033  -162.70066
   11    10 S   HC   HB11    11     1.09836   109.33133   -50.31586
   12    10 S   HC   HB12    12     1.09806   110.52011    66.26820
   13    10 S   CT   _CG1    13     1.52992   112.59505  -171.27575
   14    13 S   HC   HG11    14     1.09505   110.40169   -65.51614
   15    13 S   HC   HG12    15     1.09659   109.86542    53.61743
   16    13 S   C    _CD1    16     1.51885   112.09046   174.04764
   17    16 S   O    _OE1    17     1.22771   123.15647     6.64305
   18    16 S   N    _N2_    18     1.38623   111.88956  -173.12143
   19    18 S   H    _HN2    19     1.01627   119.08554     0.62150
   20    18 S   CT1  _CA2    20     1.46328   123.46613   177.99182
   21    20 S   HC   _HA2    21     1.09733   109.25321     6.29314
   22    20 S   C    _C2_    22     1.53624   109.11386  -109.30619
   23    22 S   O    _O2_    23     1.23095   122.20307  -151.07360
   24    20 S   CT   _CB2    32     1.53364   111.38549   128.22224
   25    24 S   HC   HB21    33     1.09302   109.39945    58.50313
   26    24 S   HC   HB22    34     1.09522   110.61770   176.37415
   27    22 S   N    _N3_    24     1.38316   113.92819    36.56502
   28    27 S   H    _HN3    25     1.01554   119.54105    -3.70993
   29    24 S   S    _SG2    35     1.83053   111.07839   -64.84242
   30    27 S   CT   _CA3    26     1.45268   123.23533   177.09121
   31    30 S   HC   HA31    27     1.09548   107.56487   -63.64895
   32    30 S   HC   HA32    28     1.09558   107.92381    52.77887
   33    29 S   CT   _C20    36     1.85199   101.42323   139.14654
   34    33 S   OM   _O34    37     1.31916   109.63503   176.11889
   35    30 S   CO3  _C3_    29     1.52957   114.09562   174.78684
   36    35 S   O2Z  _O31    30     1.26375   116.09317     1.16869
   37    35 S   O2Z  _O32    31     1.26431   114.40742  -178.80581
   38    33 S   CM   _C15    38     1.53258   111.54439   -62.60311
   39    38 S   CMA  _C16    39     1.36439   122.81027   120.86473
   40    39 S   OM   _O36    40     1.26539   130.27870  -177.58954
   41    38 S   CT   _C14    48     1.53663   117.85550   -56.65972
   42    41 S   HC   _H24    49     1.09498   110.89315    23.60267
   43    41 S   HC   _H25    50     1.09831   109.29662   138.25095
   44    39 S   CM   _C17    41     1.47540   118.66666     2.79386
   45    41 S   CT   _C13    51     1.53390   113.91799   -99.26467
   46    45 S   HC   _H22    52     1.09576   110.23607    61.61747
   47    45 S   HC   _H23    53     1.09631   110.35073   -56.33765
   48    44 S   CM   _C18    42     1.33512   124.54504    -2.43687
   49    48 S   HC   _H26    43     1.08356   121.74837  -179.75934
   50    44 S   OH   _O35    46     1.39334   117.72995   177.59409
   51    50 S   HO   _H27    47     0.97565   105.28308    -0.04846
   52    45 S   CT   _C12    54     1.53113   110.54260  -177.42177
   53    52 S   HC   _H20    55     1.09694   109.58049   -57.86517
   54    52 S   HC   _H21    56     1.09659   109.37079    59.30656
   55    33 S   CO4  _C19    44     1.54146   106.78298    63.37471
   56    55 S   O    _O33    45     1.23457   123.94101    53.23200
   57    52 S   CT   _C11    57     1.52861   111.64369  -179.39997
   58    57 S   HC   _H18    58     1.09672   109.60593    58.76932
   59    57 S   HC   _H19    59     1.09673   109.60273   -58.61178
   60    57 S   CT   _C10    60     1.52971   111.12352  -179.92598
   61    60 S   HC   _H16    61     1.09681   109.56675    58.58374
   62    60 S   HC   _H17    62     1.09681   109.55353   -58.67241
   63    60 S   CT   _C9_    63     1.52923   111.39188   179.95577
   64    63 S   HC   _H14    64     1.09679   109.57640    58.65474
   65    63 S   HC   _H15    65     1.09679   109.57557   -58.65604
   66    63 S   CT   _C8_    66     1.52960   111.27752  -180.00000
   67    66 S   HC   _H12    67     1.09683   109.56519   -58.64154
   68    66 S   HC   _H13    68     1.09683   109.56510    58.63300
   69    66 S   CT   _C7_    69     1.52954   111.33528   180.00000
   70    69 S   HC   _H10    70     1.09681   109.56714    58.64373
   71    69 S   HC   _H11    71     1.09681   109.56695   -58.64438
   72    69 S   CT   _C6_    72     1.52957   111.32845   180.00000
   73    72 S   HC   _H8_    73     1.09685   109.57574    58.63256
   74    72 S   HC   _H9_    74     1.09685   109.57555   -58.63667
   75    72 S   CT   _C5_    75     1.52846   111.32966   179.98022
   76    75 S   HC   _H6_    76     1.09622   109.86627    58.86303
   77    75 S   HC   _H7_    77     1.09622   109.86591   -58.86573
   78    75 S   CT   _C4_    78     1.52037   111.49430   179.98022
   79    78 S   HC   _H3_    79     1.09469   111.00124    60.25873
   80    78 S   HC   _H4_    80     1.09469   111.00124   -60.26114
   81    78 S   HC   _H5_    81     1.09449   110.26126   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  14  11   4  11   5   4   6   9   5   4   5
   3   2   1   9   5   4   1   1   9   5   4   9   5   4   9   5
   4   9   5   4   9   5   4   9   5   4   6   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    49    55    56    41    42    43    45  
   38    39    48    55    56    41  
   36    37  
   37  
    0  
   39    40    44    48    55    56    50    41    42    43    45    46    47    52  
   40    44    48    49    55    50    51    41    42    43    45  
   44    48    50    41  
   42    43    45    46    47    52    53    54    57    44    55  
   43    45    46    47    52  
   45    46    47    52  
   48    49    55    56    50    51  
   46    47    52    53    54    57    58    59    60  
   47    52    53    54    57  
   52    53    54    57  
   49    55    56    50    51  
   55    56    50  
   51    55  
    0  
   53    54    57    58    59    60    61    62    63  
   54    57    58    59    60  
   57    58    59    60  
   56  
    0  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    71    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   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   570.000  1.307
   33    38   317.000  1.510
   33    55   317.000  1.522
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    48   549.000  1.340
   44    50   510.000  1.338
   48    49   340.000  1.080
   48    55   320.000  1.462
   55    56   570.000  1.229
   50    51   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    55    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    55    48    65.00000  118.62400
   33    55    56    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    45    70.00000  112.02700
   39    44    48    70.00000  117.34000
   39    44    50    80.00000  121.38400
   44    39    40    65.00000  137.10300
   44    48    49    35.00000  120.00000
   44    48    55    65.00000  118.96000
   44    50    51    70.00000  107.45700
   48    55    56    80.00000  123.72100
   55    33    34    90.00000  108.74100
   55    33    38    70.00000  109.06800
   55    48    49    40.00000  117.72500
   50    44    48    80.00000  121.38400
   41    38    39    70.00000  124.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    55    48   0.65300  1.0 1.0
   29    33    55    48  -0.03850 -1.0 2.0
   29    33    55    48   0.33900  1.0 3.0
   29    33    55    56   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    45   0.46850  1.0 1.0
   33    38    41    45   0.08550 -1.0 2.0
   33    38    41    45   0.09800  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    55    48   0.65300  1.0 1.0
   34    33    55    48  -0.03850 -1.0 2.0
   34    33    55    48   0.33900  1.0 3.0
   34    33    55    56   0.30150 -1.0 2.0
   38    33    55    48   0.65300  1.0 1.0
   38    33    55    48  -0.03850 -1.0 2.0
   38    33    55    48   0.33900  1.0 3.0
   38    33    55    56   0.30150 -1.0 2.0
   38    39   -44    48   7.00000 -1.0 2.0
   38    39    44    50   7.00000 -1.0 2.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    52   0.34400  1.0 1.0
   38    41    45    52   0.09450 -1.0 2.0
   38    41    45    52   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    45   0.09850  1.0 1.0
   39    38    41    45   0.15250 -1.0 2.0
   39    38    41    45  -0.50650  1.0 3.0
   39    44    48    49   7.00000 -1.0 2.0
   39    44    48    55   7.00000 -1.0 2.0
   39    44    50    51  -0.66100  1.0 1.0
   39    44    50    51   1.20850 -1.0 2.0
   39    44    50    51  -0.36000  1.0 3.0
   40    39    44    48   7.00000 -1.0 2.0
   40    39    44    50   7.00000 -1.0 2.0
   44    48   -55    33  -0.33500  1.0 1.0
   44    48   -55    33   1.06600 -1.0 2.0
   44    48   -55    33  -0.14000  1.0 3.0
   44    48    55    56   1.00000 -1.0 2.0
   48    44    50    51  -0.66100  1.0 1.0
   48    44    50    51   1.20850 -1.0 2.0
   48    44    50    51  -0.36000  1.0 3.0
   49    48    55    33   0.04550  1.0 1.0
   49    48    55    33   0.83000 -1.0 2.0
   49    48    55    33  -0.04000  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   55    33   -38    39  -0.51250  1.0 1.0
   55    33   -38    39  -0.88800 -1.0 2.0
   55    33   -38    39   0.08850  1.0 3.0
   55    33    38    41   0.17250  1.0 1.0
   55    33    38    41  -0.04100 -1.0 2.0
   55    33    38    41  -0.33850  1.0 3.0
   50    44    48    49   7.00000 -1.0 2.0
   50    44    48    55   7.00000 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    45    52    53   0.15000  1.0 3.0
   41    45    52    54   0.15000  1.0 3.0
   41    45    52    57   0.56750  1.0 1.0
   41    45    52    57  -0.07550 -1.0 2.0
   41    45    52    57   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    52   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    52   0.15000  1.0 3.0
   45    52    57    58   0.15000  1.0 3.0
   45    52    57    59   0.15000  1.0 3.0
   45    52    57    60   0.56750  1.0 1.0
   45    52    57    60  -0.07550 -1.0 2.0
   45    52    57    60   0.20000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    57   0.15000  1.0 3.0
   47    45    52    53   0.15000  1.0 3.0
   47    45    52    54   0.15000  1.0 3.0
   47    45    52    57   0.15000  1.0 3.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57    60    63   0.56750  1.0 1.0
   52    57    60    63  -0.07550 -1.0 2.0
   52    57    60    63   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    60   0.15000  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.56750  1.0 1.0
   57    60    63    66  -0.07550 -1.0 2.0
   57    60    63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.56750  1.0 1.0
   63    66    69    72  -0.07550 -1.0 2.0
   63    66    69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.56750  1.0 1.0
   69    72    75    78  -0.07550 -1.0 2.0
   69    72    75    78   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  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
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    50    44    48   1.10000 -1.0 2.0
   55    49    48    44   1.10000 -1.0 2.0
   33    48    55    56  10.50000 -1.0 2.0
END
