* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    147    233     444
    1     0 S   NP   _N1_     1    29.06103    95.10680   -26.80678
    2     1 S   H    _HN1     2     1.02802   126.69565  -108.57265
    3     1 S   H    _H1_     3     1.02948    80.18999    -2.91276
    4     1 S   H    _H2_     4     1.02826    28.48483  -163.76501
    5     1 S   CT   _CA1     5     1.50138   113.22440   105.22838
    6     5 S   HC   _HA1     6     1.09571   105.15547    89.98832
    7     5 S   CO3  _C1_     7     1.53762   112.41694   -30.26486
    8     7 S   O2Z  _O11     8     1.26385   115.00273   -43.36439
    9     7 S   O2Z  _O12     9     1.26222   114.94542   135.55523
   10     5 S   CT   _CB1    10     1.53037   107.39154  -152.01113
   11    10 S   HC   HB11    11     1.09850   109.37365   -48.69732
   12    10 S   HC   HB12    12     1.09811   110.46658    67.88680
   13    10 S   CT   _CG1    13     1.53056   112.66498  -169.57115
   14    13 S   HC   HG11    14     1.09557   110.85027   -67.73276
   15    13 S   HC   HG12    15     1.09659   109.63582    51.54167
   16    13 S   C    _CD1    16     1.51813   111.64295   172.17103
   17    16 S   O    _OE1    17     1.22788   123.01965    18.23540
   18    16 S   N    _N2_    18     1.38617   112.07178  -161.91533
   19    18 S   H    _HN2    19     1.01599   119.09977     0.69886
   20    18 S   CT1  _CA2    20     1.46253   123.29405   176.12445
   21    20 S   HC   _HA2    21     1.09735   109.22297     9.63296
   22    20 S   C    _C2_    22     1.53734   109.13711  -105.96846
   23    22 S   O    _O2_    23     1.23099   122.15018  -150.62418
   24    20 S   CT   _CB2    32     1.53281   111.56792   131.56660
   25    24 S   HC   HB21    33     1.09513   109.87703    57.76450
   26    24 S   HC   HB22    34     1.09528   110.28814   176.51148
   27    22 S   N    _N3_    24     1.38284   114.00084    36.89700
   28    27 S   H    _HN3    25     1.01520   119.62446    -3.26884
   29    24 S   S    _SG2    35     1.82861   111.55250   -63.88239
   30    27 S   CT   _CA3    26     1.45273   123.35481   177.27559
   31    30 S   HC   HA31    27     1.09546   107.52280   -64.92235
   32    30 S   HC   HA32    28     1.09555   107.99920    51.55430
   33    29 S   CT   _C12    36     1.82696    99.27490   174.37806
   34    33 S   HC   _H5_    37     1.09759   105.33292    44.47822
   35    30 S   CO3  _C3_    29     1.52994   113.99950   173.56837
   36    35 S   O2Z  _O31    30     1.26394   116.08605     0.34092
   37    35 S   O2Z  _O32    31     1.26424   114.41881  -179.60883
   38    33 S   CM   _C10    38     1.53661   117.45451   -75.98289
   39    33 S   CT   _C13    54     1.53635   108.26691   159.75009
   40    39 S   HC   _H18    55     1.09728   110.92378    63.66707
   41    39 S   HC   _H19    56     1.09802   110.38543   -54.17145
   42    38 S   CT   _C9_    39     1.54758   109.31623   173.40263
   43    42 S   HC   _H4_    40     1.09986   104.33974   -51.80711
   44    38 S   CMA  _C11    75     1.35816   125.02624    -8.36100
   45    44 S   OM   _O33    76     1.25933   134.36403  -178.78566
   46    44 S   HC   _H17    77     1.08762   113.23542    -0.02798
   47    42 S   CT   _C8_    41     1.54743   117.92442  -167.46032
   48    47 S   HC   _H15    42     1.09673   110.13093   -66.24872
   49    47 S   HC   _H16    43     1.09395   110.39164    49.79873
   50    47 S   CT   _C7_    44     1.54924   113.00349   173.57120
   51    50 S   HC   _H3_    45     1.10002   107.05370   172.15878
   52    50 S   CT   _C17    46     1.55041   106.77703    58.49545
   53    52 S   HC   _H7_    47     1.09650   107.66693    62.58292
   54    50 S   CT   _C5_    65     1.56898   113.07779   -72.16886
   55    54 S   HC   _H11    66     1.09427   110.05786    63.46953
   56    52 S   CT   _C16    48     1.53835   113.74066   -57.03427
   57    56 S   HC   _H6_    49     1.09744   109.11679   177.20600
   58    52 S   OH   _O34    63     1.42252   112.84437   177.91165
   59    58 S   HO   _H22    64     0.97267   107.35129   -56.32270
   60    54 S   CT   _C4_    67     1.53414   113.40698  -176.41297
   61    60 S   HC   _H8_    68     1.09490   111.34189    49.51082
   62    60 S   HC   _H9_    69     1.09259   111.62434   -72.42038
   63    60 S   HC   _H10    70     1.09595   111.10681   169.60132
   64    54 S   CT   _C6_    71     1.53865   111.77578   -54.56243
   65    64 S   HC   _H12    72     1.09506   111.23391   -53.12071
   66    64 S   HC   _H13    73     1.09580   111.07728  -173.34130
   67    64 S   HC   _H14    74     1.09380   111.56113    68.34253
   68    42 S   CT   _C15    50     1.57053   109.87862    63.02301
   69    56 S   OH   _O35    61     1.42920   109.04720   -68.16567
   70    69 S   HO   _H23    62     0.97339   106.75768   -52.49196
   71    68 S   CT   _C14    51     1.55873   108.95075   -55.86497
   72    71 S   HC   _H20    52     1.09735   110.00851   -68.67996
   73    71 S   HC   _H21    53     1.09727   110.10977   174.62327
   74    68 S   CT   _C18    57     1.55292   111.45303    63.49203
   75    74 S   HC   _H24    58     1.09304   112.65452    60.23982
   76    74 S   HC   _H25    59     1.09380   112.58363   -60.49668
   77    74 S   HC   _H26    60     1.09641   110.52166  -179.97202
  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   9   5   4   3
  15   7   2   1   1  16  10   5   4  22   9   4   1   1  15   6
   5  19   8  14   7  11   8  13   6   3   1   7   3   2   1   3
   2   1   1   9   3   1   6   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    71    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    68    71    72    73    39    40    41    44    45    46  
   38    42    71    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    56    68    71    39    40    41    74    44    45    46  
   40    41    74    44    42    56    68    71    72    73  
   41    68    71    72    73  
   68    71    72    73  
   43    47    48    49    50    51    52    56    57    68    71    72    73    74    75    76    77    69    54    44    45    46  
   47    48    49    50    56    68    71    74    44  
   45    46    47    68  
   46  
    0  
   48    49    50    51    52    53    56    68    71    74    58    54    55    60    64  
   49    50    51    52    68    54  
   50    51    52    68    54  
   51    52    53    56    57    68    69    58    59    54    55    60    61    62    63    64    65    66    67  
   52    53    56    58    54    55    60    64  
   53    56    57    68    71    74    69    70    58    59    54    55    60    64  
   56    57    68    69    58    59    54  
   55    60    61    62    63    64    65    66    67    56    58  
   60    61    62    63    64    65    66    67  
   57    68    71    72    73    74    75    76    77    69    70    58    59  
   68    71    74    69    70    58  
   59    68    69  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   71    72    73    74    75    76    77    69    70  
   70    71    74  
    0  
   72    73    74    75    76    77  
   73    74  
   74  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    39   268.000  1.529
   38    42   317.000  1.510
   38    44   465.000  1.376
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    68   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    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    56   268.000  1.529
   52    58   320.000  1.410
   56    57   340.000  1.090
   56    68   268.000  1.529
   56    69   320.000  1.410
   68    71   268.000  1.529
   68    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   69    70   553.000  0.945
   58    59   553.000  0.945
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   44    45   745.000  1.250
   44    46   335.000  1.111
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    39    75.00000  111.63000
   33    38    42    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    47    70.00000  112.02700
   38    42    68    70.00000  112.02700
   38    44    45    65.00000  137.10300
   38    44    46    45.00000  105.30000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    68    56    58.35000  112.70000
   42    68    71    58.35000  112.70000
   42    68    74    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    54    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    56    58.35000  112.70000
   50    52    58    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    60    58.35000  112.70000
   50    54    64    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    68    58.35000  112.70000
   52    56    69    50.00000  109.50000
   52    58    59    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    68    71    58.35000  112.70000
   56    68    74    58.35000  112.70000
   56    69    70    55.00000  108.50000
   68    42    43    37.50000  110.70000
   68    42    47    58.35000  112.70000
   68    56    57    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    39    58.35000  112.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    41    37.50000  110.70000
   73    71    72    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   41    39    40    33.00000  107.80000
   74    68    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   69    56    57    35.00000  109.50000
   69    56    68    50.00000  109.50000
   58    52    53    35.00000  109.50000
   58    52    56    50.00000  109.50000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    67    37.50000  110.70000
   60    54    55    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    50.00000  124.16400
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    47   0.46850  1.0 1.0
   33    38    42    47   0.08550 -1.0 2.0
   33    38    42    47   0.09800  1.0 3.0
   33    38    42    68   0.46850  1.0 1.0
   33    38    42    68   0.08550 -1.0 2.0
   33    38    42    68   0.09800  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    71   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    71   0.34400  1.0 1.0
   38    33    39    71   0.09450 -1.0 2.0
   38    33    39    71   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    50   0.34400  1.0 1.0
   38    42    47    50   0.09450 -1.0 2.0
   38    42    47    50   0.11100  1.0 3.0
   38    42    68    56   0.34400  1.0 1.0
   38    42    68    56   0.09450 -1.0 2.0
   38    42    68    56   0.11100  1.0 3.0
   38    42   -68    71   0.34400  1.0 1.0
   38    42   -68    71   0.09450 -1.0 2.0
   38    42   -68    71   0.11100  1.0 3.0
   38    42    68    74   0.34400  1.0 1.0
   38    42    68    74   0.09450 -1.0 2.0
   38    42    68    74   0.11100  1.0 3.0
   42    38    44    45   7.00000 -1.0 2.0
   42    38    44    46   7.00000 -1.0 2.0
   42    47    50    51   0.15000  1.0 3.0
   42    47    50    52   0.56750  1.0 1.0
   42    47    50    52  -0.07550 -1.0 2.0
   42    47    50    52   0.20000  1.0 3.0
   42    47    50    54   0.56750  1.0 1.0
   42    47    50    54  -0.07550 -1.0 2.0
   42    47    50    54   0.20000  1.0 3.0
   42    68    71    72   0.15000  1.0 3.0
   42    68    71    73   0.15000  1.0 3.0
   42    68    71    39   0.56750  1.0 1.0
   42    68    71    39  -0.07550 -1.0 2.0
   42    68    71    39   0.20000  1.0 3.0
   42    68    74    75   0.15000  1.0 3.0
   42    68    74    76   0.15000  1.0 3.0
   42    68    74    77   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    42    68    56   0.15000  1.0 3.0
   43    42    68    71   0.15000  1.0 3.0
   43    42    68    74   0.15000  1.0 3.0
   47    42    68    56   0.56750  1.0 1.0
   47    42    68    56  -0.07550 -1.0 2.0
   47    42    68    56   0.20000  1.0 3.0
   47    42    68    71   0.56750  1.0 1.0
   47    42    68    71  -0.07550 -1.0 2.0
   47    42    68    71   0.20000  1.0 3.0
   47    42    68    74   0.56750  1.0 1.0
   47    42    68    74  -0.07550 -1.0 2.0
   47    42    68    74   0.20000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50   -52    56   0.56750  1.0 1.0
   47    50   -52    56  -0.07550 -1.0 2.0
   47    50   -52    56   0.20000  1.0 3.0
   47    50    52    58   0.86500  1.0 1.0
   47    50    52    58  -0.17500 -1.0 2.0
   47    50    52    58   0.20800  1.0 3.0
   47    50    54    55   0.15000  1.0 3.0
   47    50    54    60   0.56750  1.0 1.0
   47    50    54    60  -0.07550 -1.0 2.0
   47    50    54    60   0.20000  1.0 3.0
   47    50    54    64   0.56750  1.0 1.0
   47    50    54    64  -0.07550 -1.0 2.0
   47    50    54    64   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    54   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    54   0.15000  1.0 3.0
   50    52    56    57   0.15000  1.0 3.0
   50    52    56    68   0.56750  1.0 1.0
   50    52    56    68  -0.07550 -1.0 2.0
   50    52    56    68   0.20000  1.0 3.0
   50    52    56    69   0.86500  1.0 1.0
   50    52    56    69  -0.17500 -1.0 2.0
   50    52    56    69   0.20800  1.0 3.0
   50    52    58    59  -0.11600  1.0 1.0
   50    52    58    59  -0.09450 -1.0 2.0
   50    52    58    59   0.21250  1.0 3.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    60    62   0.15000  1.0 3.0
   50    54    60    63   0.15000  1.0 3.0
   50    54    64    65   0.15000  1.0 3.0
   50    54    64    66   0.15000  1.0 3.0
   50    54    64    67   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    58   0.23400  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    60   0.15000  1.0 3.0
   51    50    54    64   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    60   0.56750  1.0 1.0
   52    50    54    60  -0.07550 -1.0 2.0
   52    50    54    60   0.20000  1.0 3.0
   52    50    54    64   0.56750  1.0 1.0
   52    50    54    64  -0.07550 -1.0 2.0
   52    50    54    64   0.20000  1.0 3.0
   52    56   -68    42   0.56750  1.0 1.0
   52    56   -68    42  -0.07550 -1.0 2.0
   52    56   -68    42   0.20000  1.0 3.0
   52    56    68    71   0.56750  1.0 1.0
   52    56    68    71  -0.07550 -1.0 2.0
   52    56    68    71   0.20000  1.0 3.0
   52    56    68    74   0.56750  1.0 1.0
   52    56    68    74  -0.07550 -1.0 2.0
   52    56    68    74   0.20000  1.0 3.0
   52    56    69    70  -0.11600  1.0 1.0
   52    56    69    70  -0.09450 -1.0 2.0
   52    56    69    70   0.21250  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    68   0.15000  1.0 3.0
   53    52    56    69   0.23400  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   56    52    58    59  -0.11600  1.0 1.0
   56    52    58    59  -0.09450 -1.0 2.0
   56    52    58    59   0.21250  1.0 3.0
   56    68    71    72   0.15000  1.0 3.0
   56    68    71    73   0.15000  1.0 3.0
   56    68    71    39   0.56750  1.0 1.0
   56    68    71    39  -0.07550 -1.0 2.0
   56    68    71    39   0.20000  1.0 3.0
   56    68    74    75   0.15000  1.0 3.0
   56    68    74    76   0.15000  1.0 3.0
   56    68    74    77   0.15000  1.0 3.0
   57    56    68    42   0.15000  1.0 3.0
   57    56    68    71   0.15000  1.0 3.0
   57    56    68    74   0.15000  1.0 3.0
   57    56    69    70   0.19450  1.0 3.0
   68    42    47    48   0.15000  1.0 3.0
   68    42    47    49   0.15000  1.0 3.0
   68    42   -47    50   0.56750  1.0 1.0
   68    42   -47    50  -0.07550 -1.0 2.0
   68    42   -47    50   0.20000  1.0 3.0
   68    56    69    70  -0.11600  1.0 1.0
   68    56    69    70  -0.09450 -1.0 2.0
   68    56    69    70   0.21250  1.0 3.0
   68    71   -39    33   0.56750  1.0 1.0
   68    71   -39    33  -0.07550 -1.0 2.0
   68    71   -39    33   0.20000  1.0 3.0
   68    71    39    40   0.15000  1.0 3.0
   68    71    39    41   0.15000  1.0 3.0
   71    68    74    75   0.15000  1.0 3.0
   71    68    74    76   0.15000  1.0 3.0
   71    68    74    77   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    40   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   39    33   -38    42   0.46850  1.0 1.0
   39    33   -38    42   0.08550 -1.0 2.0
   39    33   -38    42   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    73   0.15000  1.0 3.0
   74    68    71    39   0.56750  1.0 1.0
   74    68    71    39  -0.07550 -1.0 2.0
   74    68    71    39   0.20000  1.0 3.0
   69    56    68    42   0.86500  1.0 1.0
   69    56    68    42  -0.17500 -1.0 2.0
   69    56    68    42   0.20800  1.0 3.0
   69    56    68    71   0.86500  1.0 1.0
   69    56    68    71  -0.17500 -1.0 2.0
   69    56    68    71   0.20800  1.0 3.0
   69    56    68    74   0.86500  1.0 1.0
   69    56    68    74  -0.17500 -1.0 2.0
   69    56    68    74   0.20800  1.0 3.0
   58    52    56    57   0.23400  1.0 3.0
   58    52    56    68   0.86500  1.0 1.0
   58    52    56    68  -0.17500 -1.0 2.0
   58    52    56    68   0.20800  1.0 3.0
   58    52    56    69   3.75450  1.0 1.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.56750  1.0 1.0
   54    50    52    56  -0.07550 -1.0 2.0
   54    50    52    56   0.20000  1.0 3.0
   54    50    52    58   0.86500  1.0 1.0
   54    50    52    58  -0.17500 -1.0 2.0
   54    50    52    58   0.20800  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    67   0.15000  1.0 3.0
   60    54    64    65   0.15000  1.0 3.0
   60    54    64    66   0.15000  1.0 3.0
   60    54    64    67   0.15000  1.0 3.0
   64    54    60    61   0.15000  1.0 3.0
   64    54    60    62   0.15000  1.0 3.0
   64    54    60    63   0.15000  1.0 3.0
   44    38    42    43   0.00000  1.0 1.0
   44    38    42    47   0.09850  1.0 1.0
   44    38    42    47   0.15250 -1.0 2.0
   44    38    42    47  -0.50650  1.0 3.0
   44    38    42    68   0.09850  1.0 1.0
   44    38    42    68   0.15250 -1.0 2.0
   44    38    42    68  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    44   1.10000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
