* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    149    220     423
    1     0 S   NP   _N1_     1    28.87092    94.96202   -19.87453
    2     1 S   H    _HN1     2     1.02835    35.09759   153.66339
    3     1 S   H    _H1_     3     1.02777    80.34137   -64.63075
    4     1 S   H    _H2_     4     1.02967    96.34631    42.95415
    5     1 S   CT   _CA1     5     1.50132   143.56992  -179.25849
    6     5 S   HC   _HA1     6     1.09575   105.23568    42.86167
    7     5 S   CO3  _C1_     7     1.53817   112.43482   -77.31726
    8     7 S   O2Z  _O11     8     1.26355   115.01815   -41.73111
    9     7 S   O2Z  _O12     9     1.26247   114.95198   137.54899
   10     5 S   CT   _CB1    10     1.53110   107.40528   160.78339
   11    10 S   HC   HB11    11     1.09816   109.32026   -50.47200
   12    10 S   HC   HB12    12     1.09829   110.39651    66.06341
   13    10 S   CT   _CG1    13     1.52996   112.71232  -171.66740
   14    13 S   HC   HG11    14     1.09540   110.33820   -61.71210
   15    13 S   HC   HG12    15     1.09638   110.15553    57.32391
   16    13 S   C    _CD1    16     1.51824   112.21210   177.28632
   17    16 S   O    _OE1    17     1.22724   123.13601   -15.33515
   18    16 S   N    _N2_    18     1.38571   111.70524   165.95244
   19    18 S   H    _HN2    19     1.01580   119.00397     0.18975
   20    18 S   CT1  _CA2    20     1.46225   123.53256   179.93439
   21    20 S   HC   _HA2    21     1.09737   109.41382   -14.36870
   22    20 S   C    _C2_    22     1.53454   107.91296  -129.88998
   23    22 S   O    _O2_    23     1.23000   122.40206  -144.05996
   24    20 S   CT   _CB2    32     1.53459   111.43823   108.01388
   25    24 S   HC   HB21    33     1.09516   109.64550    53.28846
   26    24 S   HC   HB22    34     1.09417   110.07750   171.96188
   27    22 S   N    _N3_    24     1.38561   113.26363    43.18257
   28    27 S   H    _HN3    25     1.01528   118.92043    -0.41918
   29    24 S   S    _SG2    35     1.82740   111.61687   -69.19135
   30    27 S   CT   _CA3    26     1.45446   123.38541   175.16673
   31    30 S   HC   HA31    27     1.09527   109.16063    25.88804
   32    30 S   HC   HA32    28     1.09493   107.14002   142.88266
   33    29 S   CT   _C19    36     1.87607   100.79975   147.72262
   34    33 S   HC   _H3_    37     1.09290   106.49300   -27.81339
   35    30 S   CO3  _C3_    29     1.52930   113.16807   -97.53564
   36    35 S   O2Z  _O31    30     1.26399   115.42741   -43.91586
   37    35 S   O2Z  _O32    31     1.26359   114.96545   137.02182
   38    33 S   CM   _C12    38     1.53216   107.32269    90.95023
   39    38 S   CMA  _C11    39     1.35910   120.41588    91.64343
   40    39 S   OM   _O22    40     1.26109   131.91392   179.14797
   41    38 S   CT   _C24    76     1.52185   117.86710   -87.55692
   42    41 S   HC   _H48    77     1.09384   109.92950    49.49067
   43    41 S   HC   _H49    78     1.09756   110.89357   164.21199
   44    39 S   CM   _C10    41     1.46639   117.83480    -4.59107
   45    44 S   HC   _H31    42     1.08794   116.88480  -157.03802
   46    41 S   CM   _C16    79     1.50030   113.57137   -72.10655
   47    46 S   HC   _H35    80     1.08671   117.38699    77.15925
   48    44 S   CM   _C13    43     1.35036   123.09200    21.40914
   49    46 S   CM   _C14    81     1.33819   123.99481  -104.23234
   50    49 S   HC   _H32    82     1.08442   120.57855  -179.46992
   51    49 S   HC   _H33    83     1.08481   121.37967     1.10853
   52    33 S   CT   _C20    44     1.59153   111.07496  -145.88877
   53    48 S   OS   _O25    71     1.38365   125.78534  -178.25079
   54    52 S   CM   _C17    45     1.56395   116.77152   166.66719
   55    52 S   OS   _O26    66     1.45242   109.83169    43.43933
   56    53 S   CT   _C22    72     1.42126   118.00627    -0.08847
   57    56 S   HC   _H42    73     1.09410   107.85644  -179.98022
   58    56 S   HC   _H43    74     1.09476   111.02233    62.08361
   59    56 S   HC   _H44    75     1.09480   111.00239   -62.08291
   60    54 S   CM   _C15    46     1.34939   123.29302    -8.92707
   61    60 S   HC   _H34    47     1.08098   121.21898    -2.32052
   62    54 S   CT   _C21    62     1.51867   115.45833   173.24983
   63    62 S   HC   _H39    63     1.09454   110.56300   -76.89794
   64    62 S   HC   _H40    64     1.09385   113.15941   162.32550
   65    62 S   HC   _H41    65     1.09492   110.76384    43.67138
   66    55 S   CT   _C23    67     1.42198   116.89167    68.12135
   67    66 S   HC   _H45    68     1.09308   107.59469  -175.63596
   68    66 S   HC   _H46    69     1.09305   111.31755    66.79075
   69    66 S   HC   _H47    70     1.09212   112.04100   -57.08349
   70    60 S   CA   _C7_    48     1.46717   126.15335   178.14554
   71    70 S   CA   _C4_    49     1.41112   119.44503   109.73095
   72    71 S   HA   _H28    50     1.08797   120.23966    -0.83533
   73    71 S   CA   _C5_    51     1.39785   120.70682   179.38293
   74    73 S   HA   _H29    52     1.08406   120.87496   179.78694
   75    73 S   CA   _C8_    53     1.37904   117.73131    -0.26319
   76    75 S   CA   _C9_    54     1.37555   121.79021    -0.08393
   77    70 S   CA   _C6_    55     1.40274   120.38489   -71.49208
   78    77 S   HA   _H30    56     1.08542   121.48294     0.55883
   79    76 S   OS   _O24    57     1.36095   112.33307  -179.83929
   80    79 S   CO   _C18    58     1.44210   100.98222    -0.07133
   81    80 S   HC   _H36    59     1.09609   108.67064  -120.85693
   82    80 S   HC   _H37    60     1.09609   108.67057   120.99551
   83    75 S   OS   _O23    61     1.36079   125.85787  -179.94405
  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
  17   7   2   1   1  14  10   4   9   4   3   7   3   4   3  11
   2   1   1  15   6  11   6   3   2   1   1  12   4   4   2   1
   1   3   2   1   1   9   8   4   7   3   8   7   4   1   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    52    54    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    52    54    60    62    55    66    53    41    42    43    46  
   38    39    48    52    54    55    41  
   36    37  
   37  
    0  
   39    40    44    45    48    52    54    55    41    42    43    46    47    49  
   40    44    45    48    52    53    41    42    43    46  
   44    45    48    41  
   42    43    46    47    49    50    51    44    52  
   43    46    47    49  
   46    47    49  
   45    48    52    54    55    53    56  
   48    52    53  
   47    49    50    51  
   49    50    51  
   52    54    60    62    55    66    53    56    57    58    59  
   50    51  
   51  
    0  
   54    60    61    70    62    63    64    65    55    66    67    68    69    53    56  
   56    57    58    59    54    55  
   60    61    70    71    77    62    63    64    65    55    66  
   66    67    68    69    60    62  
   57    58    59  
   58    59  
   59  
    0  
   61    70    71    72    73    76    77    78    62    63    64    65  
   70    71    77    62  
   63    64    65    70  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    83  
   73    74    75    77  
   74    75    76    77    79    80    83  
   75    76    83  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80    83  
   79  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.338000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    52   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    52   317.000  1.510
   48    53   440.000  1.360
   52    54   317.000  1.510
   52    55   320.000  1.410
   54    60   549.000  1.340
   54    62   317.000  1.510
   60    61   340.000  1.080
   60    70   320.000  1.460
   70    71   469.000  1.400
   70    77   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    83   450.000  1.364
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   79    80   320.000  1.380
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.380
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   55    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.510
   46    47   340.000  1.080
   46    49   549.000  1.340
   49    50   340.000  1.080
   49    51   340.000  1.080
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    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    52    48    70.00000  112.02700
   33    52    54    70.00000  112.02700
   33    52    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    70.00000  110.12100
   39    44    45    40.00000  120.50800
   39    44    48    70.00000  117.34000
   44    39    40    65.00000  137.10300
   44    48    52    70.00000  124.00000
   44    48    53    80.00000  120.01400
   48    44    45    35.00000  120.00000
   48    52    54    70.00000  110.12100
   48    52    55    85.00000  110.90400
   48    53    56    90.00000  111.18400
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    54    60    70.00000  124.00000
   52    54    62    65.00000  117.92700
   52    55    66    60.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    70    60.00000  123.20500
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   60    70    71    60.00000  120.93500
   60    70    77    60.00000  120.93500
   70    60    61    40.00000  117.26300
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    77    76    63.00000  120.00000
   70    77    78    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    83    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    63.00000  120.00000
   75    76    79    70.00000  120.00000
   75    83    80   100.00000  112.36700
   76    77    78    35.00000  120.00000
   76    79    80   100.00000  112.36700
   77    70    71    63.00000  120.00000
   79    76    77    70.00000  120.00000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    92.60000  111.55000
   82    80    81    33.00000  109.50000
   83    75    76    70.00000  120.00000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   62    54    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   55    52    54    85.00000  110.90400
   55    66    67    35.00000  109.50000
   55    66    68    35.00000  109.50000
   55    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    48    52    85.00000  112.85300
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    46    47    35.00000  117.00000
   41    46    49    70.00000  124.00000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    51    35.00000  120.00000
   49    46    47    35.00000  120.00000
   51    49    50    35.00000  117.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    46   0.09700  1.0 1.0
   33    38    41    46   0.15600 -1.0 2.0
   33    38    41    46  -0.50800  1.0 3.0
   33    52    54    60   0.09850  1.0 1.0
   33    52    54    60   0.15250 -1.0 2.0
   33    52    54    60  -0.50650  1.0 3.0
   33    52    54    62   0.46850  1.0 1.0
   33    52    54    62   0.08550 -1.0 2.0
   33    52    54    62   0.09800  1.0 3.0
   33    52    55    66   0.06250  1.0 1.0
   33    52    55    66  -0.01100 -1.0 2.0
   33    52    55    66   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    54   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   38    33    52    48   0.31000  1.0 1.0
   38    33    52    48   0.14700 -1.0 2.0
   38    33    52    48   0.07550  1.0 3.0
   38    33    52    54   0.31000  1.0 1.0
   38    33    52    54   0.14700 -1.0 2.0
   38    33    52    54   0.07550  1.0 3.0
   38    33    52    55   0.61850  1.0 1.0
   38    33    52    55  -0.22750 -1.0 2.0
   38    33    52    55   0.15300  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    48   7.00000 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    49  -0.28300  1.0 1.0
   38    41    46    49   0.26700 -1.0 2.0
   38    41    46    49  -0.63300  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    46  -0.28300  1.0 1.0
   39    38    41    46   0.26700 -1.0 2.0
   39    38    41    46  -0.63300  1.0 3.0
   39    44    48    52   7.00000 -1.0 2.0
   39    44    48    53   7.00000 -1.0 2.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    48   7.00000 -1.0 2.0
   44    48   -52    33   0.09850  1.0 1.0
   44    48   -52    33   0.15250 -1.0 2.0
   44    48   -52    33  -0.50650  1.0 3.0
   44    48    52    54  -0.28300  1.0 1.0
   44    48    52    54   0.26700 -1.0 2.0
   44    48    52    54  -0.63300  1.0 3.0
   44    48    52    55   0.39000  1.0 1.0
   44    48    52    55  -0.05800 -1.0 2.0
   44    48    52    55  -0.55150  1.0 3.0
   44    48    53    56  -2.26850  1.0 1.0
   44    48    53    56   3.39050 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   45    44    48    53   7.00000 -1.0 2.0
   48    52    54    60  -0.28300  1.0 1.0
   48    52    54    60   0.26700 -1.0 2.0
   48    52    54    60  -0.63300  1.0 3.0
   48    52    54    62   0.09700  1.0 1.0
   48    52    54    62   0.15600 -1.0 2.0
   48    52    54    62  -0.50800  1.0 3.0
   48    52    55    66  -0.77900  1.0 1.0
   48    52    55    66  -0.36900 -1.0 2.0
   48    52    55    66   0.40400  1.0 3.0
   48    53    56    57   0.08050  1.0 3.0
   48    53    56    58   0.08050  1.0 3.0
   48    53    56    59   0.08050  1.0 3.0
   52    33   -38    39   0.09850  1.0 1.0
   52    33   -38    39   0.15250 -1.0 2.0
   52    33   -38    39  -0.50650  1.0 3.0
   52    33    38    41   0.46850  1.0 1.0
   52    33    38    41   0.08550 -1.0 2.0
   52    33    38    41   0.09800  1.0 3.0
   52    48    53    56   2.00000 -1.0 2.0
   52    54    60    61   7.00000 -1.0 2.0
   52    54    60    70   7.00000 -1.0 2.0
   52    54    62    63   0.34800  1.0 3.0
   52    54    62    64   0.34800  1.0 3.0
   52    54    62    65   0.34800  1.0 3.0
   52    55    66    67   0.37050  1.0 3.0
   52    55    66    68   0.37050  1.0 3.0
   52    55    66    69   0.37050  1.0 3.0
   54    52    55    66  -0.77900  1.0 1.0
   54    52    55    66  -0.36900 -1.0 2.0
   54    52    55    66   0.40400  1.0 3.0
   54    60    70    71   0.15800  1.0 1.0
   54    60    70    71   1.85350 -1.0 2.0
   54    60    70    71  -0.48700  1.0 3.0
   54    60    70    77   0.15800  1.0 1.0
   54    60    70    77   1.85350 -1.0 2.0
   54    60    70    77  -0.48700  1.0 3.0
   60    54    62    63   0.00000  1.0 1.0
   60    54    62    64   0.00000  1.0 1.0
   60    54    62    65   0.00000  1.0 1.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    77    76   3.62500 -1.0 2.0
   60    70    77    78   3.62500 -1.0 2.0
   61    60    70    71   0.56550  1.0 3.0
   61    60    70    77   0.56550  1.0 3.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    77    76   3.62500 -1.0 2.0
   71    70    77    78   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    83   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    79   3.62500 -1.0 2.0
   73    75    83    80   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    83   3.62500 -1.0 2.0
   75    76   -77    70   3.62500 -1.0 2.0
   75    76    77    78   3.62500 -1.0 2.0
   75    76   -79    80   1.63200 -1.0 2.0
   76    75   -83    80   1.63200 -1.0 2.0
   76    79    80    81   0.08050  1.0 3.0
   76    79    80    82   0.08050  1.0 3.0
   76    79   -80    83  -0.25600  1.0 1.0
   76    79   -80    83  -0.40050 -1.0 2.0
   76    79   -80    83   0.34700  1.0 3.0
   77    70    71    72   3.62500 -1.0 2.0
   77    70   -71    73   3.62500 -1.0 2.0
   77    76    79    80   1.63200 -1.0 2.0
   79    76    77    70   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    80   -83    75  -0.25600  1.0 1.0
   79    80   -83    75  -0.40050 -1.0 2.0
   79    80   -83    75   0.34700  1.0 3.0
   81    80    83    75   0.08050  1.0 3.0
   82    80    83    75   0.08050  1.0 3.0
   83    75    76    77   3.62500 -1.0 2.0
   83    75   -76    79   3.62500 -1.0 2.0
   62    54    60    61   7.00000 -1.0 2.0
   62    54    60    70   7.00000 -1.0 2.0
   55    52    54    60   0.39000  1.0 1.0
   55    52    54    60  -0.05800 -1.0 2.0
   55    52    54    60  -0.55150  1.0 3.0
   55    52    54    62   0.09700  1.0 1.0
   55    52    54    62   0.15600 -1.0 2.0
   55    52    54    62  -0.50800  1.0 3.0
   53    48    52    33   0.09700  1.0 1.0
   53    48    52    33   0.15600 -1.0 2.0
   53    48    52    33  -0.50800  1.0 3.0
   53    48    52    54   0.09700  1.0 1.0
   53    48    52    54   0.15600 -1.0 2.0
   53    48    52    54  -0.50800  1.0 3.0
   53    48    52    55   0.09700  1.0 1.0
   53    48    52    55   0.15600 -1.0 2.0
   53    48    52    55  -0.50800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    46    49    50   7.00000 -1.0 2.0
   41    46    49    51   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    49   0.00000  1.0 1.0
   43    41    46    47   0.33100  1.0 3.0
   43    41    46    49   0.00000  1.0 1.0
   47    46    49    50   7.00000 -1.0 2.0
   47    46    49    51   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    48   1.10000 -1.0 2.0
   52    53    48    44   1.10000 -1.0 2.0
   52    62    54    60  15.00000 -1.0 2.0
   70    61    60    54  15.00000 -1.0 2.0
   71    77    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    83    75    73   4.00000 -1.0 2.0
   77    79    76    75   4.00000 -1.0 2.0
   76    78    77    70   1.10000 -1.0 2.0
   41    47    46    49  15.00000 -1.0 2.0
   50    51    49    46  15.00000 -1.0 2.0
END
