* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    147    233     444
    1     0 S   NP   _N1_     1    30.73399    99.10791   -26.39130
    2     1 S   H    _HN1     2     1.03480   165.83867  -139.18364
    3     1 S   H    _H1_     3     1.02853    70.02204   -53.97461
    4     1 S   H    _H2_     4     1.02756    61.16045  -178.18857
    5     1 S   CT   _CA1     5     1.50070    81.50736    62.01241
    6     5 S   HC   _HA1     6     1.09552   104.89111   114.24388
    7     5 S   CO3  _C1_     7     1.53662   113.28568    -6.37209
    8     7 S   O2Z  _O11     8     1.26392   115.09545   -34.24740
    9     7 S   O2Z  _O12     9     1.26245   115.00741   145.07665
   10     5 S   CT   _CB1    10     1.53023   107.44287  -127.37977
   11    10 S   HC   HB11    11     1.09563   109.42911   -40.53854
   12    10 S   HC   HB12    12     1.09835   110.40750    75.04831
   13    10 S   CT   _CG1    13     1.53248   112.97109  -163.17706
   14    13 S   HC   HG11    14     1.09552   110.86139   -96.30695
   15    13 S   HC   HG12    15     1.09610   111.63901    22.95168
   16    13 S   C    _CD1    16     1.51535   109.41934   143.65679
   17    16 S   O    _OE1    17     1.22797   121.85625    86.96120
   18    16 S   N    _N2_    18     1.38583   112.47429   -89.73267
   19    18 S   H    _HN2    19     1.01572   119.12541    -4.45817
   20    18 S   CT1  _CA2    20     1.46172   123.57276   173.54302
   21    20 S   HC   _HA2    21     1.09717   109.18339   -10.31227
   22    20 S   C    _C2_    22     1.53817   108.74664  -125.97974
   23    22 S   O    _O2_    23     1.23074   122.13535  -155.51209
   24    20 S   CT   _CB2    32     1.53420   111.87046   112.05249
   25    24 S   HC   HB21    33     1.09601   109.88103    56.51219
   26    24 S   HC   HB22    34     1.09444   110.06948   175.27275
   27    22 S   N    _N3_    24     1.38354   113.97551    31.33806
   28    27 S   H    _HN3    25     1.01449   119.10453    -1.90988
   29    24 S   S    _SG2    35     1.82527   112.05809   -64.31652
   30    27 S   CT   _CA3    26     1.45331   123.41667   178.13062
   31    30 S   HC   HA31    27     1.09550   107.18473   -71.01382
   32    30 S   HC   HA32    28     1.09555   108.26657    45.36267
   33    29 S   CT   _C12    36     1.84683    99.38165   177.79025
   34    33 S   HC   _H5_    37     1.09699   108.19727   -33.20945
   35    30 S   CO3  _C3_    29     1.53042   114.37337   167.48234
   36    35 S   O2Z  _O31    30     1.26434   116.32403    -6.05732
   37    35 S   O2Z  _O32    31     1.26406   114.44053   174.08563
   38    33 S   CM   _C10    38     1.53506   111.09320  -151.69547
   39    33 S   CT   _C13    54     1.53681   109.08079    84.17410
   40    39 S   HC   _H18    55     1.09676   111.29380   -51.74484
   41    39 S   HC   _H19    56     1.09850   108.96060  -166.92238
   42    38 S   CT   _C9_    39     1.54244   114.23207  -120.54220
   43    42 S   HC   _H4_    40     1.09937   104.06747   -64.46066
   44    38 S   CMA  _C11    75     1.35888   121.71094    64.31589
   45    44 S   OM   _O33    76     1.26089   133.01917    -0.25488
   46    44 S   HC   _H17    77     1.08734   113.66594   179.21242
   47    42 S   CT   _C8_    41     1.55175   116.83180  -179.02121
   48    47 S   HC   _H15    42     1.09736   109.79827   -65.55412
   49    47 S   HC   _H16    43     1.09330   110.60498    49.74679
   50    47 S   CT   _C7_    44     1.55030   113.23609   172.81777
   51    50 S   HC   _H3_    45     1.09998   107.07261   170.89461
   52    50 S   CT   _C17    46     1.54952   107.17353    57.05162
   53    52 S   HC   _H7_    47     1.09614   107.65384    63.60759
   54    50 S   CT   _C5_    65     1.57100   112.80090   -73.68428
   55    54 S   HC   _H11    66     1.09435   109.98196    62.51709
   56    52 S   CT   _C16    48     1.53800   113.68387   -56.14118
   57    56 S   HC   _H6_    49     1.09751   109.19093   178.15432
   58    52 S   OH   _O34    63     1.42235   112.94870   178.82181
   59    58 S   HO   _H22    64     0.97265   107.38720   -56.62520
   60    54 S   CT   _C4_    67     1.53421   113.55639  -177.29441
   61    60 S   HC   _H8_    68     1.09488   111.33899    49.35256
   62    60 S   HC   _H9_    69     1.09260   111.62801   -72.65377
   63    60 S   HC   _H10    70     1.09597   111.13199   169.43521
   64    54 S   CT   _C6_    71     1.53919   111.83339   -55.44974
   65    64 S   HC   _H12    72     1.09505   111.23295   -52.68713
   66    64 S   HC   _H13    73     1.09584   111.09988  -172.90765
   67    64 S   HC   _H14    74     1.09370   111.61001    68.83798
   68    42 S   CT   _C15    50     1.56911   111.34865    50.99449
   69    56 S   OH   _O35    61     1.42996   109.10726   -66.84335
   70    69 S   HO   _H23    62     0.97334   106.74921   -53.43389
   71    68 S   CT   _C14    51     1.56574   110.55159   -54.26232
   72    71 S   HC   _H20    52     1.09648   111.39743  -116.43706
   73    71 S   HC   _H21    53     1.09766   110.16456   128.50708
   74    68 S   CT   _C18    57     1.55363   111.19167    65.23984
   75    74 S   HC   _H24    58     1.09257   113.07232    57.76060
   76    74 S   HC   _H25    59     1.09275   112.11843   -62.81458
   77    74 S   HC   _H26    60     1.09657   110.59469   177.74971
  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
