* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    231     435
    1     0 S   NP   _N1_     1    28.69737    94.99742   -22.67023
    2     1 S   H    _HN1     2     1.02974    83.04118    27.12105
    3     1 S   H    _H1_     3     1.02820    30.07638   170.26062
    4     1 S   H    _H2_     4     1.02775    99.62403   -80.33142
    5     1 S   CT   _CA1     5     1.50171   138.07837   139.88151
    6     5 S   HC   _HA1     6     1.09584   105.18322    74.87021
    7     5 S   CO3  _C1_     7     1.53771   112.47728   -45.08430
    8     7 S   O2Z  _O11     8     1.26344   115.03390   -41.13877
    9     7 S   O2Z  _O12     9     1.26260   114.91643   137.90573
   10     5 S   CT   _CB1    10     1.53065   107.29710  -167.43900
   11    10 S   HC   HB11    11     1.09818   109.03433   -52.22773
   12    10 S   HC   HB12    12     1.09825   110.43921    64.15259
   13    10 S   CT   _CG1    13     1.53011   112.90838  -173.55786
   14    13 S   HC   HG11    14     1.09597   110.23391   -65.88632
   15    13 S   HC   HG12    15     1.09641   110.18281    53.34246
   16    13 S   C    _CD1    16     1.51816   112.21534   173.30189
   17    16 S   O    _OE1    17     1.22717   123.18274   -11.18277
   18    16 S   N    _N2_    18     1.38625   111.81078   170.02926
   19    18 S   H    _HN2    19     1.01566   119.08934     1.51233
   20    18 S   CT1  _CA2    20     1.46103   123.27860  -179.91607
   21    20 S   HC   _HA2    21     1.09610   109.38183    -2.33297
   22    20 S   C    _C2_    22     1.53511   108.74661  -117.70114
   23    22 S   O    _O2_    23     1.23046   122.10518  -146.53418
   24    20 S   CT   _CB2    32     1.53342   111.58702   119.90697
   25    24 S   HC   HB21    33     1.09653   109.70016    61.33540
   26    24 S   HC   HB22    34     1.09578   110.91866   178.71610
   27    22 S   N    _N3_    24     1.38475   113.60468    40.85168
   28    27 S   H    _HN3    25     1.01503   118.95064    -0.61134
   29    24 S   S    _SG2    35     1.82780   114.59063   -58.59529
   30    27 S   CT   _CA3    26     1.45447   123.51637   175.35443
   31    30 S   HC   HA31    27     1.09515   109.40625    22.10242
   32    30 S   HC   HA32    28     1.09503   107.10783   139.08328
   33    29 S   CT   _C20    36     1.82195    99.76902   -65.62177
   34    33 S   HC   _H21    37     1.09332   109.73716   -43.37076
   35    33 S   HC   _H22    38     1.09366   108.27691    73.16535
   36    30 S   CO3  _C3_    29     1.52883   112.87474  -101.48989
   37    36 S   O2Z  _O31    30     1.26414   115.26827   -49.44716
   38    36 S   O2Z  _O32    31     1.26332   115.08492   131.43775
   39    33 S   CM   _C18    39     1.50310   110.23242  -164.98759
   40    39 S   CMA  _C19    40     1.35181   127.07115  -108.40717
   41    40 S   OM   _O37    41     1.26287   128.16321    -0.87133
   42    40 S   OS   _O36    42     1.42305   109.60619  -179.45896
   43    42 S   CT   _C7_    43     1.43608   105.60253   -17.16978
   44    43 S   HC   _H4_    44     1.10287   105.03881   -86.19179
   45    43 S   CT   _C6_    45     1.52724   110.54440   161.15707
   46    45 S   HC   _H11    46     1.09764   109.16695   177.76989
   47    45 S   HC   _H12    47     1.09942   105.85757    64.24161
   48    39 S   CT   _C8_    61     1.50610   121.24369    71.87923
   49    48 S   HC   _H5_    62     1.09838   108.62070   -54.93254
   50    45 S   CT   _C5_    48     1.54757   118.17331   -55.35839
   51    50 S   HC   _H3_    49     1.09452   109.96685    48.41231
   52    50 S   CT   _C11    50     1.53743   109.64184   -74.22459
   53    52 S   HC   _H7_    51     1.10111   105.76545   -50.61238
   54    50 S   CT   _C4_    74     1.53855   108.06253   164.21482
   55    54 S   HC   _H8_    75     1.09535   111.38134    65.43145
   56    54 S   HC   _H9_    76     1.09562   110.87498   -54.80037
   57    54 S   HC   _H10    77     1.09427   111.31490  -173.40760
   58    52 S   CM   _C12    52     1.50854   119.67682  -165.99807
   59    58 S   HC   _H13    53     1.08131   123.82310    35.60991
   60    58 S   CM   _C13    54     1.33626   113.46153  -153.02766
   61    60 S   HC   _H14    55     1.07495   129.07030  -173.99107
   62    60 S   CO4  _C14    56     1.47528   105.11189     6.79665
   63    62 S   O    _O33    57     1.22141   122.82965  -169.41459
   64    52 S   CT   _C10    58     1.55066   114.73711    71.14541
   65    64 S   CT   _C9_    59     1.54212   113.39039   -80.95663
   66    65 S   HC   _H6_    60     1.09673   106.78273  -162.20116
   67    64 S   CT   _C15    70     1.54443   115.38491    51.67967
   68    67 S   HC   _H15    71     1.08697   113.46726   -58.18690
   69    67 S   HC   _H16    72     1.09665   110.55233  -179.61134
   70    67 S   HC   _H17    73     1.09699   112.35975    61.87603
   71    65 S   OS   _O34    63     1.45906   107.90816   -47.76477
   72    71 S   CO4  _C16    64     1.36297   118.09987  -144.24560
   73    72 S   O    _O35    65     1.22291   126.55195    -1.00561
   74    72 S   CT   _C17    66     1.49818   109.37293   179.26087
   75    74 S   HC   _H18    67     1.09295   109.82248   -60.22656
   76    74 S   HC   _H19    68     1.09376   109.36948  -179.23434
   77    74 S   HC   _H20    69     1.09288   109.80785    61.66293
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  15   6   5  10
   4  14   8  19   8   5   2   1   1   8   4   6   3   9   3   8
   9   3   4   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    65    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    65    66    48    49    71  
   41    42    43    44    45    65    48    49  
   42    43    48  
   43    44    45    46    47    50    65    48    49  
   44    45    46    47    50    51    52    64    65    66    48    49    71    54  
   45    46    47    50    65    48    49  
   46    47    50    51    52    53    58    64    65    48    49    54    55    56    57  
   47    50    51    52    48    54  
   50    51    52    48    54  
   49    71    72    67    50    52    62    64    65    66  
   71    64    65    66  
   51    52    53    58    59    60    62    64    65    67    54    55    56    57  
   52    53    58    64    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    67    68    69    70    54    55    56    57  
   58    59    60    62    64    65    67    54  
   55    56    57    58    64  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    67  
   60    61    62    64  
   61    62    63    64    65    67  
   62    63    64  
   63    64    65    66    71    67    68    69    70  
   64    65    67  
   65    66    71    72    67    68    69    70  
   66    71    72    73    74    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    58   317.000  1.510
   52    64   268.000  1.529
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   320.000  1.462
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    48   268.000  1.529
   65    71   320.000  1.410
   48    49   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    65    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    65    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    58.35000  112.70000
   45    50    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    58    70.00000  112.02700
   50    52    64    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    35.00000  117.00000
   52    58    60    70.00000  124.00000
   52    64    62    63.00000  111.10000
   52    64    65    58.35000  112.70000
   52    64    67    58.35000  112.70000
   58    52    53    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    62    65.00000  118.96000
   60    58    59    35.00000  120.00000
   60    62    63    80.00000  123.72100
   60    62    64    65.00000  118.62400
   62    60    61    40.00000  117.72500
   62    64    65    63.00000  111.10000
   62    64    67    63.00000  111.10000
   64    52    53    37.50000  110.70000
   64    52    58    70.00000  112.02700
   64    62    63    80.00000  120.40000
   64    65    66    37.50000  110.70000
   64    65    48    58.35000  112.70000
   64    65    71    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    48    49    37.50000  110.70000
   65    71    72    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    65    66    37.50000  110.70000
   71    65    66    35.00000  109.50000
   71    65    48    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   74    72    73    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   67    64    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    65   0.46850  1.0 1.0
   33    39    48    65   0.08550 -1.0 2.0
   33    39    48    65   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    65   0.09850  1.0 1.0
   40    39    48    65   0.15250 -1.0 2.0
   40    39    48    65  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    65   0.62750  1.0 1.0
   42    43    48    65  -0.30950 -1.0 2.0
   42    43    48    65   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.56750  1.0 1.0
   43    45    50    52  -0.07550 -1.0 2.0
   43    45    50    52   0.20000  1.0 3.0
   43    45    50    54   0.56750  1.0 1.0
   43    45    50    54  -0.07550 -1.0 2.0
   43    45    50    54   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    65   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    65   0.56750  1.0 1.0
   45    43    48    65  -0.07550 -1.0 2.0
   45    43    48    65   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    52    53   0.15000  1.0 3.0
   45    50    52    58   0.34400  1.0 1.0
   45    50    52    58   0.09450 -1.0 2.0
   45    50    52    58   0.11100  1.0 3.0
   45    50    52    64   0.56750  1.0 1.0
   45    50    52    64  -0.07550 -1.0 2.0
   45    50    52    64   0.20000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    57   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60   0.09850  1.0 1.0
   50    52    58    60   0.15250 -1.0 2.0
   50    52    58    60  -0.50650  1.0 3.0
   50    52    64    62  -0.95700  1.0 1.0
   50    52    64    62  -0.18200 -1.0 2.0
   50    52    64    62   0.29450  1.0 3.0
   50    52    64    65   0.56750  1.0 1.0
   50    52    64    65  -0.07550 -1.0 2.0
   50    52    64    65   0.20000  1.0 3.0
   50    52    64    67   0.56750  1.0 1.0
   50    52    64    67  -0.07550 -1.0 2.0
   50    52    64    67   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    52    64   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58   -60    62   7.00000 -1.0 2.0
   52    64    65    66   0.15000  1.0 3.0
   52    64    65    48   0.56750  1.0 1.0
   52    64    65    48  -0.07550 -1.0 2.0
   52    64    65    48   0.20000  1.0 3.0
   52    64    65    71   0.62750  1.0 1.0
   52    64    65    71  -0.30950 -1.0 2.0
   52    64    65    71   0.27300  1.0 3.0
   52    64    67    68   0.15000  1.0 3.0
   52    64    67    69   0.15000  1.0 3.0
   52    64    67    70   0.15000  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    64    62  -0.11250  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    67   0.15000  1.0 3.0
   58    52   -64    62  -0.98800  1.0 1.0
   58    52   -64    62   0.48800 -1.0 2.0
   58    52   -64    62   0.76800  1.0 3.0
   58    52    64    65   0.34400  1.0 1.0
   58    52    64    65   0.09450 -1.0 2.0
   58    52    64    65   0.11100  1.0 3.0
   58    52    64    67   0.34400  1.0 1.0
   58    52    64    67   0.09450 -1.0 2.0
   58    52    64    67   0.11100  1.0 3.0
   58    60    62    63   1.00000 -1.0 2.0
   58    60   -62    64  -0.33500  1.0 1.0
   58    60   -62    64   1.06600 -1.0 2.0
   58    60   -62    64  -0.14000  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62   -64    52   0.65300  1.0 1.0
   60    62   -64    52  -0.03850 -1.0 2.0
   60    62   -64    52   0.33900  1.0 3.0
   60    62    64    65   0.65300  1.0 1.0
   60    62    64    65  -0.03850 -1.0 2.0
   60    62    64    65   0.33900  1.0 3.0
   60    62    64    67   0.65300  1.0 1.0
   60    62    64    67  -0.03850 -1.0 2.0
   60    62    64    67   0.33900  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.04550  1.0 1.0
   61    60    62    64   0.83000 -1.0 2.0
   61    60    62    64  -0.04000  1.0 3.0
   62    64    65    66  -0.11250  1.0 3.0
   62    64    65    48  -0.95700  1.0 1.0
   62    64    65    48  -0.18200 -1.0 2.0
   62    64    65    48   0.29450  1.0 3.0
   62    64    65    71  -0.09450  1.0 1.0
   62    64    65    71  -1.12950 -1.0 2.0
   62    64    65    71   0.54000  1.0 3.0
   62    64    67    68  -0.11250  1.0 3.0
   62    64    67    69  -0.11250  1.0 3.0
   62    64    67    70  -0.11250  1.0 3.0
   63    62    64    52   0.30150 -1.0 2.0
   63    62    64    65   0.30150 -1.0 2.0
   63    62    64    67   0.30150 -1.0 2.0
   64    52    58    59   0.00000  1.0 1.0
   64    52   -58    60   0.09850  1.0 1.0
   64    52   -58    60   0.15250 -1.0 2.0
   64    52   -58    60  -0.50650  1.0 3.0
   64    65    48    39   0.34400  1.0 1.0
   64    65    48    39   0.09450 -1.0 2.0
   64    65    48    39   0.11100  1.0 3.0
   64    65    48    43   0.56750  1.0 1.0
   64    65    48    43  -0.07550 -1.0 2.0
   64    65    48    43   0.20000  1.0 3.0
   64    65    48    49   0.15000  1.0 3.0
   64    65    71    72  -0.25900  1.0 1.0
   64    65    71    72  -0.47000 -1.0 2.0
   64    65    71    72   0.11750  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71    72    73   3.00000 -1.0 2.0
   65    71    72    74   1.63150  1.0 1.0
   65    71    72    74   2.92000 -1.0 2.0
   66    65    48    39   0.15000  1.0 3.0
   66    65    48    43   0.15000  1.0 3.0
   66    65    48    49   0.15000  1.0 3.0
   66    65    71    72   0.08050  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   48    65    71    72  -0.25900  1.0 1.0
   48    65    71    72  -0.47000 -1.0 2.0
   48    65    71    72   0.11750  1.0 3.0
   71    65    48    39   0.61850  1.0 1.0
   71    65    48    39  -0.22750 -1.0 2.0
   71    65    48    39   0.15300  1.0 3.0
   71    65    48    43   0.62750  1.0 1.0
   71    65    48    43  -0.30950 -1.0 2.0
   71    65    48    43   0.27300  1.0 3.0
   71    65    48    49   0.23400  1.0 3.0
   71    72    74    75   0.00000  1.0 1.0
   71    72    74    76   0.00000  1.0 1.0
   71    72    74    77   0.00000  1.0 1.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.00000  1.0 1.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    48   0.56750  1.0 1.0
   67    64    65    48  -0.07550 -1.0 2.0
   67    64    65    48   0.20000  1.0 3.0
   67    64    65    71   0.62750  1.0 1.0
   67    64    65    71  -0.30950 -1.0 2.0
   67    64    65    71   0.27300  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    58   0.34400  1.0 1.0
   54    50    52    58   0.09450 -1.0 2.0
   54    50    52    58   0.11100  1.0 3.0
   54    50    52    64   0.56750  1.0 1.0
   54    50    52    64  -0.07550 -1.0 2.0
   54    50    52    64   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    59    58    60   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
END
