* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    143    219     425
    1     0 S   NP   _N1_     1    28.56674    96.37341   -23.02201
    2     1 S   H    _HN1     2     1.02829    39.01980   164.05979
    3     1 S   H    _H1_     3     1.02786   101.52008   -91.68391
    4     1 S   H    _H2_     4     1.02950    73.00609    14.20884
    5     1 S   CT   _CA1     5     1.50106   141.99835   115.82067
    6     5 S   HC   _HA1     6     1.09572   105.20360    89.37385
    7     5 S   CO3  _C1_     7     1.53798   112.47601   -30.87963
    8     7 S   O2Z  _O11     8     1.26371   115.01060   -42.35912
    9     7 S   O2Z  _O12     9     1.26242   114.95227   136.81811
   10     5 S   CT   _CB1    10     1.53086   107.43030  -152.62646
   11    10 S   HC   HB11    11     1.09832   109.39884   -49.66463
   12    10 S   HC   HB12    12     1.09814   110.43222    66.95307
   13    10 S   CT   _CG1    13     1.52985   112.59239  -170.64607
   14    13 S   HC   HG11    14     1.09585   110.61147   -65.07686
   15    13 S   HC   HG12    15     1.09668   109.80778    54.15247
   16    13 S   C    _CD1    16     1.51793   112.26881   174.62385
   17    16 S   O    _OE1    17     1.22723   123.30136     5.73627
   18    16 S   N    _N2_    18     1.38652   111.63522  -174.36448
   19    18 S   H    _HN2    19     1.01574   118.91249     2.11118
   20    18 S   CT1  _CA2    20     1.46221   123.42771   177.98695
   21    20 S   HC   _HA2    21     1.09732   109.41465     2.53157
   22    20 S   C    _C2_    22     1.53512   108.38558  -113.00768
   23    22 S   O    _O2_    23     1.23038   122.34061  -146.14768
   24    20 S   CT   _CB2    32     1.53350   111.55199   124.58128
   25    24 S   HC   HB21    33     1.09584   109.99407    56.58828
   26    24 S   HC   HB22    34     1.09423   110.00508   175.58004
   27    22 S   N    _N3_    24     1.38352   113.64459    41.14570
   28    27 S   H    _HN3    25     1.01587   119.60789    -3.09604
   29    24 S   S    _SG2    35     1.82824   111.44197   -64.28562
   30    27 S   CT   _CA3    26     1.45289   123.17808   177.21850
   31    30 S   HC   HA31    27     1.09550   107.49326   -64.94833
   32    30 S   HC   HA32    28     1.09558   108.00353    51.48916
   33    29 S   CT   _C8_    36     1.84315    99.72616   170.48593
   34    33 S   HC   _H5_    37     1.09663   106.95130   -44.88283
   35    30 S   CO3  _C3_    29     1.52956   114.09038   173.49772
   36    35 S   O2Z  _O31    30     1.26374   116.07077    -0.79328
   37    35 S   O2Z  _O32    31     1.26429   114.41021   179.26965
   38    33 S   CT   _C7_    38     1.54069   111.04577    74.96070
   39    38 S   HC   _H4_    39     1.09629   111.82300   -47.75901
   40    38 S   CT   _C6_    40     1.54167   111.42269    74.74920
   41    40 S   HC   _H3_    41     1.09758   108.75832   -68.64228
   42    38 S   OS   _O37    62     1.44158   107.32860  -167.60562
   43    40 S   CO   _C10    42     1.53529   110.90868    50.58355
   44    43 S   HC   _H7_    43     1.09718   111.54178    67.31396
   45    40 S   N    _N4_    54     1.46337   110.09848   174.55889
   46    45 S   H    _H14    55     1.01531   117.95953   -88.55302
   47    42 S   CO   _C12    63     1.43249   113.31646    99.94716
   48    47 S   HC   _H8_    64     1.09892   108.97862   -46.99341
   49    43 S   OS   _O34    44     1.42732   110.12912   -55.01769
   50    43 S   OH   _O35    52     1.42616   108.46158  -174.18284
   51    50 S   HO   _H15    53     0.97187   106.58549  -161.34742
   52    45 S   C    _C5_    56     1.38388   122.53049    83.95121
   53    52 S   O    _O33    57     1.22792   125.38353     4.38450
   54    47 S   CT   _C13    65     1.53322   107.83541  -165.81518
   55    54 S   HC   _H9_    66     1.09541   111.01217    56.48266
   56    33 S   CT   _C9_    45     1.54879   112.39368  -161.83388
   57    56 S   HC   _H6_    46     1.09887   109.24463   173.17223
   58    52 S   CT   _C4_    58     1.50423   112.44760  -176.54379
   59    58 S   HC   _H11    59     1.09387   110.28668    48.53709
   60    58 S   HC   _H12    60     1.09346   109.66502   168.13017
   61    58 S   HC   _H13    61     1.09333   109.48647   -71.99643
   62    54 S   CT   _C14    67     1.53234   108.99536   178.33094
   63    62 S   HC   _H10    68     1.09673   109.29934   -76.46921
   64    54 S   OH   _O42    78     1.43392   109.69286   -60.03080
   65    64 S   HO   _H21    79     0.97262   107.72546   -57.71085
   66    56 S   CT   _C11    47     1.53141   113.96927    52.97035
   67    66 S   HC   _H16    48     1.09431   111.12729    46.47484
   68    66 S   HC   _H17    49     1.09426   111.84066   -76.81899
   69    62 S   CM   _C15    69     1.49908   111.26695    42.66536
   70    69 S   HC   _H19    70     1.08634   117.49132   165.82087
   71    62 S   OH   _O41    76     1.42238   109.94657   165.72299
   72    71 S   HO   _H20    77     0.97227   107.83776  -178.92117
   73    66 S   OH   _O36    50     1.42660   108.86359   164.96615
   74    73 S   HO   _H18    51     0.97252   106.96202   178.09248
   75    69 S   CM   _C16    71     1.34326   121.90275   -13.92115
   76    47 S   OS   _O38    72     1.43722   110.66043    72.61200
   77    75 S   CO3  _C17    73     1.54587   120.62488   177.65390
   78    77 S   O2Z  _O40    74     1.26464   116.10587    23.16514
   79    77 S   O2Z  _O39    75     1.26578   114.94739  -156.96520
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  18   7  14   8  11  10   5   9   3  12   6
   8   2   1   5   4  11   7   6   4   3   2   1   1  10   6   4
   1   4   3   2   8   4   2   1   1   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    56    57    66    67    68    73    45    42    47  
   38    39    40    49    56    57    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    66    50    45    46    52    42    47    48    54    76  
   40    41    43    56    45    42    47  
   41    43    44    49    56    50    51    45    46    52    53    58    42    47  
   43    44    49    50    45    46    52    42  
   47    48    54    55    62    75    76    64    43    45    56  
   44    49    56    57    66    50    51    45    46    52  
   49    56    50    51    45  
   46    52    53    58    59    60    61    49    50  
   52    53    58  
   48    54    55    62    63    69    75    76    77    71    64    65  
   54    55    62    75    76    64  
   56    57    66    67    68    73    50    51  
   51    56  
    0  
   53    58    59    60    61  
   58    59    60    61  
   55    62    63    69    70    75    76    71    72    64    65  
   62    63    69    76    71    64    65  
   57    66    67    68    73    74  
   66    67    68    73  
   59    60    61  
   60    61  
   61  
    0  
   63    69    70    75    76    77    71    72    64    65  
   69    70    75    71    72    64  
   65    69    71    76  
    0  
   67    68    73    74  
   68    73    74  
   73    74  
   70    75    76    77    78    79    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.145000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   76   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    45   337.000  1.449
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   380.000  1.407
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   320.000  1.410
   73    74   553.000  0.945
   50    51   553.000  0.945
   45    46   434.000  1.010
   45    52   490.000  1.335
   52    53   570.000  1.229
   52    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    54   250.000  1.527
   47    76   320.000  1.380
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    64   320.000  1.410
   62    63   340.000  1.090
   62    69   317.000  1.510
   62    71   320.000  1.410
   69    70   340.000  1.080
   69    75   549.000  1.340
   75    76   440.000  1.360
   75    77   230.000  1.545
   77    78   656.000  1.250
   77    79   656.000  1.250
   71    72   553.000  0.945
   64    65   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    56    49    50.00000  109.50000
   33    56    57    37.50000  110.70000
   33    56    66    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    70.00000  110.72300
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  110.19100
   40    45    46    38.00000  118.40000
   40    45    52    50.00000  121.90000
   43    40    41    45.00000  108.72000
   43    49    56    60.00000  109.50000
   43    50    51    70.00000  107.92000
   49    43    44    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    66    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    73    50.00000  109.50000
   66    56    57    37.50000  110.70000
   66    73    74    55.00000  108.50000
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   50    43    44    60.00000  108.02500
   50    43    49   110.00000  112.08000
   45    40    41    35.00000  109.50000
   45    40    43    70.00000  110.72300
   45    52    53    80.00000  122.90000
   45    52    58    70.00000  116.60000
   52    45    46    35.00000  119.80000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   58    52    53    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    54    90.00000  108.56700
   42    47    76    92.60000  111.55000
   47    54    55    45.00000  108.72000
   47    54    62    75.00000  109.43000
   47    54    64    90.00000  111.58700
   47    76    75    85.00000  113.97000
   54    47    48    45.00000  112.01100
   54    62    63    37.50000  110.70000
   54    62    69    70.00000  112.02700
   54    62    71    50.00000  109.50000
   54    64    65    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    69    70    35.00000  117.00000
   62    69    75    70.00000  124.00000
   62    71    72    55.00000  108.50000
   69    62    63    35.00000  109.50000
   69    75    76    80.00000  120.01400
   69    75    77    55.00000  124.75400
   75    69    70    35.00000  120.00000
   75    77    78    85.00000  113.83300
   75    77    79    85.00000  113.83300
   76    47    48    35.00000  109.50000
   76    47    54    90.00000  108.56700
   77    75    76    80.00000  119.00000
   79    77    78    80.00000  126.00000
   71    62    63    35.00000  109.50000
   71    62    69    90.00000  110.39200
   64    54    55    35.00000  109.50000
   64    54    62    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    56    49   0.56750  1.0 1.0
   29    33    56    49  -0.07550 -1.0 2.0
   29    33    56    49   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    66   0.44750  1.0 1.0
   29    33    56    66  -0.17800 -1.0 2.0
   29    33    56    66   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45  -0.27100  1.0 1.0
   33    38    40    45  -0.01700 -1.0 2.0
   33    38    40    45  -0.48600  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    56    66    67   0.15000  1.0 3.0
   33    56    66    68   0.15000  1.0 3.0
   33    56    66    73   0.86500  1.0 1.0
   33    56    66    73  -0.17500 -1.0 2.0
   33    56    66    73   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    56    49   0.23400  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    66   0.15000  1.0 3.0
   38    33    56    49   0.62750  1.0 1.0
   38    33    56    49  -0.30950 -1.0 2.0
   38    33    56    49   0.27300  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    66   0.56750  1.0 1.0
   38    33    56    66  -0.07550 -1.0 2.0
   38    33    56    66   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.86500  1.0 1.0
   38    40    43    50  -0.17500 -1.0 2.0
   38    40    43    50   0.20800  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    52  -0.43950  1.0 1.0
   38    40    45    52  -0.08100 -1.0 2.0
   38    40    45    52   0.03350  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    54   0.06250  1.0 1.0
   38    42    47    54  -0.01100 -1.0 2.0
   38    42    47    54   0.28050  1.0 3.0
   38    42    47    76  -0.53350  1.0 1.0
   38    42    47    76  -0.78350 -1.0 2.0
   38    42    47    76   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    56   0.06250  1.0 1.0
   40    43    49    56  -0.01100 -1.0 2.0
   40    43    49    56   0.28050  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   40    45    52    53   3.04450 -1.0 2.0
   40    45    52    58   1.49850  1.0 1.0
   40    45    52    58   1.53950 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    52  -0.43950  1.0 1.0
   43    40    45    52  -0.08100 -1.0 2.0
   43    40    45    52   0.03350  1.0 3.0
   43    49   -56    33   0.06250  1.0 1.0
   43    49   -56    33  -0.01100 -1.0 2.0
   43    49   -56    33   0.28050  1.0 3.0
   43    49    56    57   0.37050  1.0 3.0
   43    49    56    66   0.06250  1.0 1.0
   43    49    56    66  -0.01100 -1.0 2.0
   43    49    56    66   0.28050  1.0 3.0
   44    43    49    56   0.37050  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.50000  1.0 1.0
   49    43    50    51  -0.73950 -1.0 2.0
   49    43    50    51   0.17150  1.0 3.0
   49    56    66    67   0.23400  1.0 3.0
   49    56    66    68   0.23400  1.0 3.0
   49    56    66    73   3.69350  1.0 1.0
   49    56    66    73  -1.82950 -1.0 2.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    66    73    74  -0.11600  1.0 1.0
   56    66    73    74  -0.09450 -1.0 2.0
   56    66    73    74   0.21250  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    73   0.23400  1.0 3.0
   67    66    73    74   0.19450  1.0 3.0
   68    66    73    74   0.19450  1.0 3.0
   50    43    49    56  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    49   1.12100  1.0 1.0
   45    40    43    49  -0.16500 -1.0 2.0
   45    40    43    50   2.76900  1.0 1.0
   45    40    43    50  -0.24350 -1.0 2.0
   45    40    43    50  -0.78250  1.0 3.0
   45    52    58    59   0.00000  1.0 1.0
   45    52    58    60   0.00000  1.0 1.0
   45    52    58    61   0.00000  1.0 1.0
   46    45    52    53   2.45000 -1.0 2.0
   46    45    52    58   2.45000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.12100  1.0 1.0
   42    38    40    45  -0.16500 -1.0 2.0
   42    47    54    55   0.23400  1.0 3.0
   42    47    54    62   0.62750  1.0 1.0
   42    47    54    62  -0.30950 -1.0 2.0
   42    47    54    62   0.27300  1.0 3.0
   42    47    54    64   3.69350  1.0 1.0
   42    47    54    64  -1.82950 -1.0 2.0
   42    47    76    75  -0.48150  1.0 1.0
   42    47    76    75   0.09250 -1.0 2.0
   42    47    76    75  -0.12850  1.0 3.0
   47    54    62    63   0.15000  1.0 3.0
   47    54    62    69   0.34400  1.0 1.0
   47    54    62    69   0.09450 -1.0 2.0
   47    54    62    69   0.11100  1.0 3.0
   47    54    62    71   0.86500  1.0 1.0
   47    54    62    71  -0.17500 -1.0 2.0
   47    54    62    71   0.20800  1.0 3.0
   47    54    64    65  -0.11600  1.0 1.0
   47    54    64    65  -0.09450 -1.0 2.0
   47    54    64    65   0.21250  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    62   0.15000  1.0 3.0
   48    47    54    64   0.23400  1.0 3.0
   48    47    76    75   0.08050  1.0 3.0
   54    47    76    75  -0.46850  1.0 1.0
   54    47    76    75   0.09300 -1.0 2.0
   54    47    76    75  -0.12850  1.0 3.0
   54    62    69    70   0.00000  1.0 1.0
   54    62   -69    75   0.09850  1.0 1.0
   54    62   -69    75   0.15250 -1.0 2.0
   54    62   -69    75  -0.50650  1.0 3.0
   54    62    71    72  -0.11600  1.0 1.0
   54    62    71    72  -0.09450 -1.0 2.0
   54    62    71    72   0.21250  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    69   0.15000  1.0 3.0
   55    54    62    71   0.23400  1.0 3.0
   55    54    64    65   0.19450  1.0 3.0
   62    54    64    65  -0.11600  1.0 1.0
   62    54    64    65  -0.09450 -1.0 2.0
   62    54    64    65   0.21250  1.0 3.0
   62    69    75    76   7.00000 -1.0 2.0
   62    69    75    77   7.00000 -1.0 2.0
   63    62    69    70   0.33100  1.0 3.0
   63    62    69    75   0.00000  1.0 1.0
   63    62    71    72   0.19450  1.0 3.0
   69    62    71    72  -0.07800  1.0 1.0
   69    62    71    72  -0.21500 -1.0 2.0
   69    62    71    72  -0.03150  1.0 3.0
   69    75   -76    47  -2.26850  1.0 1.0
   69    75   -76    47   3.39050 -1.0 2.0
   69    75    77    78  -0.04000 -1.0 2.0
   69    75    77    78  -0.29050  1.0 3.0
   69    75    77    79  -0.04000 -1.0 2.0
   69    75    77    79  -0.29050  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    77   7.00000 -1.0 2.0
   76    47    54    55   0.23400  1.0 3.0
   76    47   -54    62   0.62750  1.0 1.0
   76    47   -54    62  -0.30950 -1.0 2.0
   76    47   -54    62   0.27300  1.0 3.0
   76    47    54    64   3.69350  1.0 1.0
   76    47    54    64  -1.82950 -1.0 2.0
   76    75    77    78  -0.11900  1.0 1.0
   76    75    77    78   0.76850 -1.0 2.0
   76    75    77    78   0.14100  1.0 3.0
   76    75    77    79  -0.11900  1.0 1.0
   76    75    77    79   0.76850 -1.0 2.0
   76    75    77    79   0.14100  1.0 3.0
   77    75    76    47   0.15100 -1.0 2.0
   71    62    69    70   0.00000  1.0 1.0
   71    62    69    75   0.67800  1.0 1.0
   71    62    69    75   0.47050 -1.0 2.0
   71    62    69    75  -0.62500  1.0 3.0
   64    54    62    63   0.23400  1.0 3.0
   64    54    62    69   1.05650  1.0 1.0
   64    54    62    69   0.15600 -1.0 2.0
   64    54    62    69   0.53150  1.0 3.0
   64    54    62    71   3.75450  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
   46    52    45    40   1.00000 -1.0 2.0
   45    58    52    53  10.50000 -1.0 2.0
   62    70    69    75   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
END
