* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    142    207     406
    1     0 S   NP   _N1_     1    28.16663    96.26417   -23.85779
    2     1 S   H    _HN1     2     1.02957    74.36526     7.33489
    3     1 S   H    _H1_     3     1.02835    34.26742   169.40745
    4     1 S   H    _H2_     4     1.02778   109.37467   -97.01875
    5     1 S   CT   _CA1     5     1.50130   133.36784   110.82389
    6     5 S   HC   _HA1     6     1.09575   105.21902    90.09291
    7     5 S   CO3  _C1_     7     1.53784   112.37139   -30.11146
    8     7 S   O2Z  _O11     8     1.26365   114.99529   -43.70158
    9     7 S   O2Z  _O12     9     1.26235   114.93218   135.41034
   10     5 S   CT   _CB1    10     1.53095   107.42214  -151.98648
   11    10 S   HC   HB11    11     1.09827   109.33121   -50.47697
   12    10 S   HC   HB12    12     1.09816   110.42551    66.07599
   13    10 S   CT   _CG1    13     1.53018   112.67750  -171.54713
   14    13 S   HC   HG11    14     1.09594   110.50041   -64.42338
   15    13 S   HC   HG12    15     1.09657   109.91566    54.78310
   16    13 S   C    _CD1    16     1.51839   112.30872   175.15406
   17    16 S   O    _OE1    17     1.22749   123.28949     0.58950
   18    16 S   N    _N2_    18     1.38566   111.71549  -179.46478
   19    18 S   H    _HN2    19     1.01563   118.99917     4.65261
   20    18 S   CT1  _CA2    20     1.45846   122.88410   177.69879
   21    20 S   HC   _HA2    21     1.09721   108.97496    22.82018
   22    20 S   C    _C2_    22     1.52882   106.85536   -94.29873
   23    22 S   O    _O2_    23     1.22988   122.96833   -28.64617
   24    20 S   CT   _CB2    32     1.53168   112.21893   145.99017
   25    24 S   HC   HB21    33     1.09604   110.25496    54.20468
   26    24 S   HC   HB22    34     1.09490   110.04600   173.22315
   27    22 S   N    _N3_    24     1.38476   112.62600   154.11573
   28    27 S   H    _HN3    25     1.01661   120.40288    -1.97813
   29    24 S   S    _SG2    35     1.82639   111.05790   -66.50676
   30    27 S   CT   _CA3    26     1.45359   122.42857   178.63484
   31    30 S   HC   HA31    27     1.09568   107.66900   -58.50155
   32    30 S   HC   HA32    28     1.09565   107.73355    57.81141
   33    29 S   CT   _C16    36     1.81821    99.64575   173.01006
   34    33 S   HC   _H3_    37     1.09638   110.01035   -50.98871
   35    30 S   CO3  _C3_    29     1.52881   114.36661   179.62727
   36    35 S   O2Z  _O31    30     1.26327   116.06968    -2.06431
   37    35 S   O2Z  _O32    31     1.26442   114.40258   177.96491
   38    33 S   CM   _C10    38     1.48841   112.06327    70.45048
   39    38 S   HC   _H28    39     1.09180   114.23062   -86.49698
   40    38 S   CMA  _C11    40     1.35286   128.00201    98.02293
   41    40 S   OM   _O20    41     1.26595   124.40916   173.84441
   42    40 S   CA   _C5_    42     1.52372   113.92145    -4.97898
   43    42 S   CA   _C6_    43     1.41181   120.34628    22.89130
   44    43 S   CA   _C8_    44     1.40381   121.14523   172.65471
   45    33 S   CO4  _C12    79     1.50779   108.61254  -167.54687
   46    45 S   O    _O21    80     1.22878   121.77414    88.27618
   47    44 S   CA   _C4_    45     1.39049   120.66552     0.98616
   48    47 S   HA   _H27    46     1.08797   119.23706  -179.13498
   49    44 S   OH   _O23    77     1.36969   123.60542  -179.43525
   50    49 S   HO   _H46    78     0.97370   108.91908     3.47638
   51    47 S   CA   _C7_    47     1.39879   120.58123     1.74428
   52    42 S   CA   _C9_    48     1.42480   123.01350  -159.89045
   53    51 S   CT   _C22    54     1.52199   119.54445  -179.25743
   54    53 S   HC   _H45    55     1.09546   110.21217  -169.80403
   55    52 S   OS   _O24    49     1.37921   120.65460     7.09395
   56    53 S   CT   _C21    56     1.54106   112.70876    67.90477
   57    56 S   HC   _H43    57     1.09799   110.50346   -57.37976
   58    56 S   HC   _H44    58     1.09602   109.92072  -171.28742
   59    53 S   OS   _O25    70     1.44924   107.32143   -52.24201
   60    55 S   CT   _C20    50     1.43071   110.08078    86.99449
   61    60 S   HC   _H40    51     1.09401   107.71074  -179.03106
   62    60 S   HC   _H41    52     1.09549   111.15665    62.83923
   63    60 S   HC   _H42    53     1.09511   111.81583   -60.45280
   64    56 S   CM   _C13    59     1.50396   113.04628    64.46611
   65    64 S   HC   _H29    60     1.08936   114.53068   -86.59896
   66    59 S   CO4  _C15    71     1.36228   117.58719  -153.21640
   67    66 S   O    _O22    72     1.22305   126.49594    -0.48698
   68    64 S   CM   _C14    61     1.34632   127.18425    93.76242
   69    66 S   CT   _C19    73     1.49839   109.45652   179.64282
   70    69 S   HC   _H37    74     1.09292   109.83462   -60.58242
   71    69 S   HC   _H38    75     1.09380   109.36393  -179.60386
   72    69 S   HC   _H39    76     1.09289   109.82293    61.32914
   73    68 S   CT   _C17    62     1.50494   120.56451   179.25849
   74    73 S   HC   _H31    63     1.09495   110.27369   119.09858
   75    73 S   HC   _H32    64     1.09494   110.21536  -121.07205
   76    73 S   HC   _H33    65     1.09513   112.38906    -1.00658
   77    68 S   CT   _C18    66     1.50252   124.83911    -1.76791
   78    77 S   HC   _H34    67     1.09482   110.10734   115.81415
   79    77 S   HC   _H35    68     1.09243   113.38865    -5.11186
   80    77 S   HC   _H36    69     1.09533   110.06062  -124.81194
  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
  10   6   2   1   1   8   4   8   3  11  10   9   4   1  10   4
   2   1  11   9  12   6   4   9   5   4   7   3   2   1   1  10
   3   5   4   8   3   2   1   1   7   3   2   1   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    43    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    52    45    46  
   40    41    42    45  
   41    42    43    44    51    52    55    45  
   42    43    52  
   43    44    47    51    52    55    60    53    49    45    46  
   44    47    48    51    52    55    49    50    45    46  
   47    48    51    52    53    49    50    45    46  
   46    47    49    52  
    0  
   48    51    52    55    53    54    56    59    49    50  
   51    52    53    49  
   50    51  
    0  
   52    55    60    53    54    56    57    58    64    59    66  
   55    60    61    62    63    53    54    56    59  
   54    56    57    58    64    65    68    59    66    67    69    55  
   56    57    58    64    59    66  
   60    61    62    63  
   57    58    64    65    68    73    77    59    66  
   58    64    65    68    59  
   64    65    68    59  
   66    67    69    70    71    72    64  
   61    62    63  
   62    63  
   63  
    0  
   65    68    73    74    75    76    77    78    79    80  
   68    73    77  
   67    69    70    71    72  
   69    70    71    72  
   73    74    75    76    77    78    79    80  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    45   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    52   469.000  1.400
   43    44   469.000  1.400
   43    45   310.000  1.470
   44    47   469.000  1.400
   44    49   450.000  1.364
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   469.000  1.400
   51    53   317.000  1.510
   52    55   450.000  1.364
   55    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   317.000  1.510
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    73   317.000  1.510
   68    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   59    66   214.000  1.327
   66    67   570.000  1.229
   66    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   553.000  0.945
   45    46   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    65.00000  115.47100
   33    45    46    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    52    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    63.00000  120.00000
   42    43    45    60.00000  119.52600
   42    52    51    63.00000  120.00000
   42    52    55    70.00000  120.00000
   43    44    47    63.00000  120.00000
   43    44    49    70.00000  120.00000
   43    45    46    75.00000  123.78400
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   44    49    50    35.00000  113.00000
   47    51    52    63.00000  120.00000
   47    51    53    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    52    55    70.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    56    70.00000  112.17500
   51    53    59    85.00000  111.85700
   52    42    43    63.00000  120.00000
   52    55    60    75.00000  111.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   53    51    52    70.00000  120.00000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    64    70.00000  112.02700
   53    59    66    83.00000  116.90000
   56    53    54    37.50000  110.70000
   56    64    65    35.00000  117.00000
   56    64    68    70.00000  124.00000
   58    56    57    33.00000  107.80000
   64    56    57    35.00000  109.50000
   64    56    58    35.00000  109.50000
   64    68    73    70.00000  124.00000
   64    68    77    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   68    77    78    35.00000  109.50000
   68    77    79    35.00000  109.50000
   68    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    56    50.00000  109.50000
   59    66    67    83.00000  123.40000
   59    66    69    81.00000  111.40000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   69    66    67    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    44    47    70.00000  120.00000
   45    33    34    35.00000  109.50000
   45    33    38    70.00000  109.06800
   45    43    44    60.00000  119.52600
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    43   0.65300  1.0 1.0
   29    33    45    43  -0.03850 -1.0 2.0
   29    33    45    43   0.33900  1.0 3.0
   29    33    45    46   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    43   0.00000  1.0 1.0
   34    33    45    46   0.00000  1.0 1.0
   38    33    45    43   0.65300  1.0 1.0
   38    33    45    43  -0.03850 -1.0 2.0
   38    33    45    43   0.33900  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    52   0.15800  1.0 1.0
   38    40    42    52   1.85350 -1.0 2.0
   38    40    42    52  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    52    51   3.62500 -1.0 2.0
   40    42    52    55   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    52  -0.01750  1.0 1.0
   41    40    42    52  -0.32000 -1.0 2.0
   41    40    42    52   0.00600  1.0 3.0
   42    43    44    47   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43   -45    33   2.26350  1.0 1.0
   42    43   -45    33   0.76750 -1.0 2.0
   42    43   -45    33   0.22500  1.0 3.0
   42    43    45    46   1.05000 -1.0 2.0
   42    52    55    60   1.63200 -1.0 2.0
   43    42    52    51   3.62500 -1.0 2.0
   43    42    52    55   3.62500 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   43    44   -47    51   3.62500 -1.0 2.0
   43    44    49    50   0.84100 -1.0 2.0
   44    43    45    33   2.26350  1.0 1.0
   44    43    45    33   0.76750 -1.0 2.0
   44    43    45    33   0.22500  1.0 3.0
   44    43    45    46   1.05000 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47    51    53   3.62500 -1.0 2.0
   47    44    49    50   0.84100 -1.0 2.0
   47    51   -52    42   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    53    54   0.00000  1.0 1.0
   47    51    53    56   0.04150 -1.0 2.0
   47    51    53    59   0.64500  1.0 1.0
   47    51    53    59   0.14800 -1.0 2.0
   47    51    53    59   0.20650  1.0 3.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   51    52    55    60   1.63200 -1.0 2.0
   51    53    56    57   0.43200  1.0 3.0
   51    53    56    58   0.43200  1.0 3.0
   51    53    56    64   0.21200  1.0 1.0
   51    53    56    64   0.16900 -1.0 2.0
   51    53    56    64  -1.15100  1.0 3.0
   51    53    59    66  -0.43900 -1.0 2.0
   51    53    59    66   0.14100  1.0 3.0
   52    42   -43    44   3.62500 -1.0 2.0
   52    42    43    45   3.62500 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    56   0.04150 -1.0 2.0
   52    51    53    59   0.64500  1.0 1.0
   52    51    53    59   0.14800 -1.0 2.0
   52    51    53    59   0.20650  1.0 3.0
   52    55    60    61   0.08050  1.0 3.0
   52    55    60    62   0.08050  1.0 3.0
   52    55    60    63   0.08050  1.0 3.0
   53    51    52    42   3.62500 -1.0 2.0
   53    51    52    55   3.62500 -1.0 2.0
   53    56    64    65   0.00000  1.0 1.0
   53    56    64    68   0.09850  1.0 1.0
   53    56    64    68   0.15250 -1.0 2.0
   53    56    64    68  -0.50650  1.0 3.0
   53    59    66    67   3.00000 -1.0 2.0
   53    59    66    69   1.63150  1.0 1.0
   53    59    66    69   2.92000 -1.0 2.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    64   0.15000  1.0 3.0
   54    53    59    66   0.08050  1.0 3.0
   56    53    59    66  -0.25900  1.0 1.0
   56    53    59    66  -0.47000 -1.0 2.0
   56    53    59    66   0.11750  1.0 3.0
   56    64    68    73   7.00000 -1.0 2.0
   56    64    68    77   7.00000 -1.0 2.0
   57    56    64    65   0.33100  1.0 3.0
   57    56    64    68   0.00000  1.0 1.0
   58    56    64    65   0.33100  1.0 3.0
   58    56    64    68   0.00000  1.0 1.0
   64    68    73    74   0.00000  1.0 1.0
   64    68    73    75   0.00000  1.0 1.0
   64    68    73    76   0.00000  1.0 1.0
   64    68    77    78   0.00000  1.0 1.0
   64    68    77    79   0.00000  1.0 1.0
   64    68    77    80   0.00000  1.0 1.0
   65    64    68    73   7.00000 -1.0 2.0
   65    64    68    77   7.00000 -1.0 2.0
   73    68    77    78   0.34800  1.0 3.0
   73    68    77    79   0.34800  1.0 3.0
   73    68    77    80   0.34800  1.0 3.0
   77    68    73    74   0.34800  1.0 3.0
   77    68    73    75   0.34800  1.0 3.0
   77    68    73    76   0.34800  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    64   0.61850  1.0 1.0
   59    53    56    64  -0.22750 -1.0 2.0
   59    53    56    64   0.15300  1.0 3.0
   59    66    69    70   0.00000  1.0 1.0
   59    66    69    71   0.00000  1.0 1.0
   59    66    69    72   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   49    44    47    48   3.62500 -1.0 2.0
   49    44    47    51   3.62500 -1.0 2.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40  -0.51250  1.0 1.0
   45    33   -38    40  -0.88800 -1.0 2.0
   45    33   -38    40   0.08850  1.0 3.0
   45    43    44    47   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    52    42    40   4.00000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   47    49    44    43   4.00000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   52    53    51    47   4.00000 -1.0 2.0
   51    55    52    42   4.00000 -1.0 2.0
   56    65    64    68  15.00000 -1.0 2.0
   73    77    68    64  15.00000 -1.0 2.0
   59    69    66    67  10.50000 -1.0 2.0
   33    43    45    46  10.50000 -1.0 2.0
END
