* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    149    223     436
    1     0 S   NP   _N1_     1    28.89958    95.47293   -22.79725
    2     1 S   H    _HN1     2     1.03224    80.90090   -20.29653
    3     1 S   H    _H1_     3     1.03129    30.28322   126.97938
    4     1 S   H    _H2_     4     1.02743   101.16556  -127.04029
    5     1 S   CT   _CA1     5     1.49807   137.09997    91.28195
    6     5 S   HC   _HA1     6     1.09571   105.12874    78.38747
    7     5 S   CO3  _C1_     7     1.53850   112.52039   -41.97586
    8     7 S   O2Z  _O11     8     1.26362   115.29018   -51.29853
    9     7 S   O2Z  _O12     9     1.26269   114.89857   127.88062
   10     5 S   CT   _CB1    10     1.53028   107.68160  -163.58612
   11    10 S   HC   HB11    11     1.09829   109.89932   -46.53317
   12    10 S   HC   HB12    12     1.09803   110.37428    70.21062
   13    10 S   CT   _CG1    13     1.53088   112.14376  -167.15027
   14    13 S   HC   HG11    14     1.09580   110.80524   -59.41579
   15    13 S   HC   HG12    15     1.09640   109.69075    59.77262
   16    13 S   C    _CD1    16     1.51643   111.96690  -179.12374
   17    16 S   O    _OE1    17     1.22769   122.94511    14.61148
   18    16 S   N    _N2_    18     1.38745   112.08959  -166.57051
   19    18 S   H    _HN2    19     1.01527   119.28994     4.70869
   20    18 S   CT1  _CA2    20     1.46153   122.98270  -177.39797
   21    20 S   HC   _HA2    21     1.09641   108.71091    13.62227
   22    20 S   C    _C2_    22     1.53790   110.13788  -101.94555
   23    22 S   O    _O2_    23     1.23158   121.92574  -152.72776
   24    20 S   CT   _CB2    32     1.53775   112.20236   135.38010
   25    24 S   HC   HB21    33     1.09681   109.41693    70.51675
   26    24 S   HC   HB22    34     1.09616   110.27927  -172.99571
   27    22 S   N    _N3_    24     1.38217   114.41321    34.40044
   28    27 S   H    _HN3    25     1.01503   119.74040    -2.66954
   29    24 S   S    _SG2    35     1.82861   115.85688   -49.08340
   30    27 S   CT   _CA3    26     1.45300   123.12972   177.24764
   31    30 S   HC   HA31    27     1.09552   107.43047   -66.03126
   32    30 S   HC   HA32    28     1.09559   108.06581    50.39762
   33    29 S   CMA  _C23    36     1.80650   101.07533   -56.28576
   34    33 S   OM   _O39    37     1.26479   120.65058   -62.10488
   35    30 S   CO3  _C3_    29     1.52939   114.16632   172.41882
   36    35 S   O2Z  _O31    30     1.26363   116.11954    -2.18158
   37    35 S   O2Z  _O32    31     1.26436   114.40439   177.92302
   38    33 S   CM   _C22    38     1.35663   110.08163   118.18933
   39    38 S   HC   _H20    39     1.08841   120.98106    -0.65372
   40    38 S   CO4  _C21    40     1.49960   125.61064  -178.26957
   41    40 S   O    _O40    41     1.22801   122.86097   -16.91050
   42    40 S   CT   _C20    42     1.51480   115.55021   165.41771
   43    42 S   HC   _H18    43     1.09523   106.71849    97.13259
   44    42 S   HC   _H19    44     1.09498   110.55807   -20.77057
   45    42 S   CO4  _C19    45     1.51414   114.84244  -141.73609
   46    45 S   O    _O38    46     1.23062   121.96641    24.81272
   47    45 S   CT   _C18    47     1.52466   116.02502  -160.46033
   48    47 S   HC   _H16    48     1.09680   108.05816    36.08397
   49    47 S   HC   _H17    49     1.09722   104.91106   -79.38767
   50    47 S   CT   _C17    50     1.54927   115.02286   158.52877
   51    50 S   CM   _C12    51     1.52116   111.30322  -179.02001
   52    50 S   OH   _O41    83     1.43318   108.50984    63.99646
   53    52 S   HO   _H21    84     0.97415   107.86076   -59.08716
   54    51 S   CMA  _C13    52     1.35598   126.79686   138.78722
   55    54 S   OM   _O42    53     1.26473   130.80816  -178.77699
   56    51 S   CO4  _C11    62     1.49785   117.19899   -40.49467
   57    56 S   O    _O36    63     1.22983   120.22668    92.42731
   58    54 S   CT   _C14    54     1.52227   119.40973     2.39286
   59    58 S   HC   _H12    55     1.09942   110.63907   127.83436
   60    58 S   HC   _H13    56     1.09814   110.60805  -111.90327
   61    56 S   CT   _C10    64     1.51049   116.94160   -87.32266
   62    61 S   HC   _H10    65     1.09480   109.25232   -81.48784
   63    61 S   HC   _H11    66     1.09423   110.39502    36.62048
   64    58 S   CO4  _C15    57     1.51299   113.26074     8.29848
   65    64 S   O    _O37    58     1.23106   121.60832   146.96127
   66    61 S   CO4  _C9_    67     1.50997   112.92509   157.04380
   67    66 S   O    _O35    68     1.23145   120.91597   -92.09053
   68    50 S   CT   _C16    59     1.53592   110.21329   -54.93895
   69    68 S   HC   _H14    60     1.09542   111.67155    74.68990
   70    68 S   HC   _H15    61     1.09656   111.76979   -46.80857
   71    66 S   CT   _C8_    69     1.51139   116.90412    87.21043
   72    71 S   HC   _H8_    70     1.09465   109.99560   -41.40682
   73    71 S   HC   _H9_    71     1.09512   108.21073    76.16220
   74    71 S   CO4  _C7_    72     1.51090   113.79261  -162.75168
   75    74 S   O    _O34    73     1.23092   120.87044  -104.60537
   76    74 S   CT   _C6_    74     1.51399   116.81480    77.15381
   77    76 S   HC   _H6_    75     1.09450   109.41393   -27.67042
   78    76 S   HC   _H7_    76     1.09492   107.00864    89.90506
   79    76 S   CO4  _C5_    77     1.51219   115.35488  -148.42564
   80    79 S   O    _O33    78     1.23086   122.60346    21.98543
   81    79 S   CT   _C4_    79     1.50614   116.34922  -160.69084
   82    81 S   HC   _H3_    80     1.09272   109.58747    61.96045
   83    81 S   HC   _H4_    81     1.09272   109.57506   -59.09152
   84    81 S   HC   _H5_    82     1.09352   109.71729  -178.62712
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   6   3   2   1   1   7   3   7   4   8   4   3   8   4  12   5
   4  14  17   7   1  10   5   9   4   7   4   3   8   4   3   4
   3   7   4   2   1   1   8   4   3   7   4   8   4   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   41    42    43    44    45    46    47  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47  
   46    47    48    49    50    51    68    52  
   47    48    49    50  
   48    49    50    51    54    64    68    69    70    56    52    53  
   49    50    51    68    52  
   50    51    68    52  
   51    54    55    58    64    65    68    69    70    56    57    61    52    53  
   54    55    58    59    60    64    68    69    70    56    57    61    62    63    66    52    53  
   53    54    56    64    68    69    70  
   68  
   55    58    59    60    64    65    68    56    57    61  
   58    59    60    64    56  
   57    61    62    63    66    67    71    58    68  
   61    62    63    66  
   59    60    64    65    68    69    70  
   60    64    65    68  
   64    65    68  
   62    63    66    67    71    72    73    74  
   63    66    67    71  
   66    67    71  
   65    68    69    70  
   68    69    70  
   67    71    72    73    74    75    76  
   71    72    73    74  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79    80    81  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.575000   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   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   34   3.1500   0.2500  -0.373900   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   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   240.000  1.763
   33    34   745.000  1.250
   33    38   465.000  1.376
   38    39   340.000  1.080
   38    40   320.000  1.462
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   317.000  1.522
   45    46   570.000  1.229
   45    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   317.000  1.510
   50    68   268.000  1.529
   50    52   320.000  1.410
   51    54   465.000  1.376
   51    56   320.000  1.462
   54    55   745.000  1.250
   54    58   270.000  1.512
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.522
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   317.000  1.522
   66    67   570.000  1.229
   66    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.522
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   52    53   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    95.00000  113.88000
   29    33    38    65.00000  122.11800
   33    38    39    40.00000  120.50800
   33    38    40    60.00000  125.92000
   38    33    34    65.00000  137.10300
   38    40    41    80.00000  123.72100
   38    40    42    65.00000  118.62400
   40    38    39    40.00000  117.72500
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    75.00000  107.99600
   42    40    41    80.00000  120.40000
   42    45    46    80.00000  120.40000
   42    45    47    70.00000  116.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    63.00000  111.10000
   47    45    46    80.00000  120.40000
   47    50    51    70.00000  112.02700
   47    50    68    58.35000  112.70000
   47    50    52    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    54    70.00000  124.00000
   50    51    56    65.00000  116.34900
   50    68    64    63.00000  111.10000
   50    68    69    37.50000  110.70000
   50    68    70    37.50000  110.70000
   50    52    53    55.00000  108.50000
   51    54    55    65.00000  137.10300
   51    54    58    65.00000  122.18000
   51    56    57    80.00000  123.72100
   51    56    61    65.00000  118.62400
   54    58    59    45.00000  110.52000
   54    58    60    45.00000  110.52000
   54    58    64    70.00000  109.06800
   58    54    55    85.00000  112.85300
   58    64    65    80.00000  120.40000
   58    64    68    70.00000  116.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   68    50    51    70.00000  112.02700
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   56    51    54    60.00000  125.92000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    66    75.00000  107.99600
   61    56    57    80.00000  120.40000
   61    66    67    80.00000  120.40000
   61    66    71    70.00000  116.00000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    75.00000  107.99600
   71    66    67    80.00000  120.40000
   71    74    75    80.00000  120.40000
   71    74    76    70.00000  116.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    75.00000  107.99600
   76    74    75    80.00000  120.40000
   76    79    80    80.00000  120.40000
   76    79    81    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    35.00000  109.50000
   81    79    80    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   52    50    51    90.00000  110.39200
   52    50    68    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   1.00000 -1.0 2.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40    42    45   0.65300  1.0 1.0
   38    40    42    45  -0.03850 -1.0 2.0
   38    40    42    45   0.33900  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.04550  1.0 1.0
   39    38    40    42   0.83000 -1.0 2.0
   39    38    40    42  -0.04000  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    47   0.65300  1.0 1.0
   40    42    45    47  -0.03850 -1.0 2.0
   40    42    45    47   0.33900  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    47    48   0.00000  1.0 1.0
   42    45    47    49   0.00000  1.0 1.0
   42    45    47    50   0.60050  1.0 1.0
   42    45    47    50   0.05600 -1.0 2.0
   42    45    47    50   0.26150  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   44    42    45    46   0.00000  1.0 1.0
   44    42    45    47   0.00000  1.0 1.0
   45    47    50    51  -0.98800  1.0 1.0
   45    47    50    51   0.48800 -1.0 2.0
   45    47    50    51   0.76800  1.0 3.0
   45    47    50    68  -0.95700  1.0 1.0
   45    47    50    68  -0.18200 -1.0 2.0
   45    47    50    68   0.29450  1.0 3.0
   45    47    50    52  -0.09450  1.0 1.0
   45    47    50    52  -1.12950 -1.0 2.0
   45    47    50    52   0.54000  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    50   0.30150 -1.0 2.0
   47    50    51    54   0.09850  1.0 1.0
   47    50    51    54   0.15250 -1.0 2.0
   47    50    51    54  -0.50650  1.0 3.0
   47    50    51    56   0.09700  1.0 1.0
   47    50    51    56   0.15600 -1.0 2.0
   47    50    51    56  -0.50800  1.0 3.0
   47    50    68    64  -0.95700  1.0 1.0
   47    50    68    64  -0.18200 -1.0 2.0
   47    50    68    64   0.29450  1.0 3.0
   47    50    68    69   0.15000  1.0 3.0
   47    50    68    70   0.15000  1.0 3.0
   47    50    52    53  -0.11600  1.0 1.0
   47    50    52    53  -0.09450 -1.0 2.0
   47    50    52    53   0.21250  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    68   0.15000  1.0 3.0
   48    47    50    52   0.23400  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    68   0.15000  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   50    51    54    55   7.00000 -1.0 2.0
   50    51    54    58   7.00000 -1.0 2.0
   50    51    56    57  -0.64400  1.0 1.0
   50    51    56    57   0.26850 -1.0 2.0
   50    51    56    61   0.25700  1.0 1.0
   50    51    56    61   0.66200 -1.0 2.0
   50    51    56    61   0.04450  1.0 3.0
   51    50    68    64  -0.98800  1.0 1.0
   51    50    68    64   0.48800 -1.0 2.0
   51    50    68    64   0.76800  1.0 3.0
   51    50    68    69   0.15000  1.0 3.0
   51    50    68    70   0.15000  1.0 3.0
   51    50    52    53  -0.07800  1.0 1.0
   51    50    52    53  -0.21500 -1.0 2.0
   51    50    52    53  -0.03150  1.0 3.0
   51    54    58    59   0.00000  1.0 1.0
   51    54    58    60   0.00000  1.0 1.0
   51    54   -58    64  -0.51250  1.0 1.0
   51    54   -58    64  -0.88800 -1.0 2.0
   51    54   -58    64   0.08850  1.0 3.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   51    56    61    66   0.65300  1.0 1.0
   51    56    61    66  -0.03850 -1.0 2.0
   51    56    61    66   0.33900  1.0 3.0
   54    51    56    57   1.00000 -1.0 2.0
   54    51    56    61  -0.33500  1.0 1.0
   54    51    56    61   1.06600 -1.0 2.0
   54    51    56    61  -0.14000  1.0 3.0
   54    58    64    65   0.30150 -1.0 2.0
   54    58    64    68   0.65300  1.0 1.0
   54    58    64    68  -0.03850 -1.0 2.0
   54    58    64    68   0.33900  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    64   0.09700  1.0 1.0
   55    54    58    64   0.15600 -1.0 2.0
   55    54    58    64  -0.50800  1.0 3.0
   58    64   -68    50   0.60050  1.0 1.0
   58    64   -68    50   0.05600 -1.0 2.0
   58    64   -68    50   0.26150  1.0 3.0
   58    64    68    69   0.00000  1.0 1.0
   58    64    68    70   0.00000  1.0 1.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    68   0.00000  1.0 1.0
   60    58    64    65   0.00000  1.0 1.0
   60    58    64    68   0.00000  1.0 1.0
   65    64    68    50   0.30150 -1.0 2.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   68    50   -51    54   0.09850  1.0 1.0
   68    50   -51    54   0.15250 -1.0 2.0
   68    50   -51    54  -0.50650  1.0 3.0
   68    50    51    56   0.09700  1.0 1.0
   68    50    51    56   0.15600 -1.0 2.0
   68    50    51    56  -0.50800  1.0 3.0
   68    50    52    53  -0.11600  1.0 1.0
   68    50    52    53  -0.09450 -1.0 2.0
   68    50    52    53   0.21250  1.0 3.0
   56    51    54    55   7.00000 -1.0 2.0
   56    51    54    58   7.00000 -1.0 2.0
   56    61    66    67   0.30150 -1.0 2.0
   56    61    66    71   0.65300  1.0 1.0
   56    61    66    71  -0.03850 -1.0 2.0
   56    61    66    71   0.33900  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    66   0.30150 -1.0 2.0
   61    66    71    72   0.00000  1.0 1.0
   61    66    71    73   0.00000  1.0 1.0
   61    66    71    74   0.65300  1.0 1.0
   61    66    71    74  -0.03850 -1.0 2.0
   61    66    71    74   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    71   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    71   0.00000  1.0 1.0
   66    71    74    75   0.30150 -1.0 2.0
   66    71    74    76   0.65300  1.0 1.0
   66    71    74    76  -0.03850 -1.0 2.0
   66    71    74    76   0.33900  1.0 3.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   67    66    71    74   0.30150 -1.0 2.0
   71    74    76    77   0.00000  1.0 1.0
   71    74    76    78   0.00000  1.0 1.0
   71    74    76    79   0.65300  1.0 1.0
   71    74    76    79  -0.03850 -1.0 2.0
   71    74    76    79   0.33900  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.00000  1.0 1.0
   73    71    74    76   0.00000  1.0 1.0
   74    76    79    80   0.30150 -1.0 2.0
   74    76    79    81   0.65300  1.0 1.0
   74    76    79    81  -0.03850 -1.0 2.0
   74    76    79    81   0.33900  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.30150 -1.0 2.0
   76    79    81    82   0.00000  1.0 1.0
   76    79    81    83   0.00000  1.0 1.0
   76    79    81    84   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    81   0.00000  1.0 1.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.00000  1.0 1.0
   80    79    81    84   0.00000  1.0 1.0
   52    50    51    54   0.67800  1.0 1.0
   52    50    51    54   0.47050 -1.0 2.0
   52    50    51    54  -0.62500  1.0 3.0
   52    50    51    56   0.09700  1.0 1.0
   52    50    51    56   0.15600 -1.0 2.0
   52    50    51    56  -0.50800  1.0 3.0
   52    50    68    64  -0.09450  1.0 1.0
   52    50    68    64  -1.12950 -1.0 2.0
   52    50    68    64   0.54000  1.0 3.0
   52    50    68    69   0.23400  1.0 3.0
   52    50    68    70   0.23400  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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   42    47    45    46  10.50000 -1.0 2.0
   50    56    51    54   1.10000 -1.0 2.0
   58    55    54    51   1.10000 -1.0 2.0
   58    68    64    65  10.50000 -1.0 2.0
   51    61    56    57  10.50000 -1.0 2.0
   61    71    66    67  10.50000 -1.0 2.0
   71    76    74    75  10.50000 -1.0 2.0
   76    81    79    80  10.50000 -1.0 2.0
END
