* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    28.81814    94.52631   -23.38442
    2     1 S   H    _HN1     2     1.02784   104.15942   -88.84545
    3     1 S   H    _H1_     3     1.02950    79.88482    17.72558
    4     1 S   H    _H2_     4     1.02829    30.71123   169.85941
    5     1 S   CT   _CA1     5     1.50112   135.60208   126.61409
    6     5 S   HC   _HA1     6     1.09572   105.20042    81.18837
    7     5 S   CO3  _C1_     7     1.53797   112.49306   -39.05293
    8     7 S   O2Z  _O11     8     1.26371   115.00888   -41.65919
    9     7 S   O2Z  _O12     9     1.26244   114.95729   137.52210
   10     5 S   CT   _CB1    10     1.53084   107.42268  -160.80379
   11    10 S   HC   HB11    11     1.09831   109.39010   -49.61887
   12    10 S   HC   HB12    12     1.09815   110.43257    66.99783
   13    10 S   CT   _CG1    13     1.52981   112.59806  -170.60577
   14    13 S   HC   HG11    14     1.09584   110.60530   -65.27956
   15    13 S   HC   HG12    15     1.09669   109.81340    53.95454
   16    13 S   C    _CD1    16     1.51785   112.27929   174.41328
   17    16 S   O    _OE1    17     1.22723   123.28156     5.57696
   18    16 S   N    _N2_    18     1.38662   111.59075  -174.50774
   19    18 S   H    _HN2    19     1.01576   118.98311     1.86718
   20    18 S   CT1  _CA2    20     1.46200   123.40583   178.10586
   21    20 S   HC   _HA2    21     1.09672   109.22272     1.97556
   22    20 S   C    _C2_    22     1.53508   108.74610  -113.36804
   23    22 S   O    _O2_    23     1.23049   122.31885  -148.68165
   24    20 S   CT   _CB2    32     1.53456   111.49201   123.93682
   25    24 S   HC   HB21    33     1.09474   109.71848    55.84282
   26    24 S   HC   HB22    34     1.09323   109.82985   174.68293
   27    22 S   N    _N3_    24     1.38341   113.68907    38.83020
   28    27 S   H    _HN3    25     1.01583   119.56152    -3.20369
   29    24 S   S    _SG2    35     1.83134   110.81987   -65.22439
   30    27 S   CT   _CA3    26     1.45279   123.20505   177.05889
   31    30 S   HC   HA31    27     1.09549   107.50262   -64.85926
   32    30 S   HC   HA32    28     1.09558   107.99073    51.57597
   33    29 S   CT   _C21    36     1.88677   101.46851   179.33825
   34    30 S   CO3  _C3_    29     1.52955   114.09212   173.60358
   35    34 S   O2Z  _O31    30     1.26376   116.08275    -0.00000
   36    34 S   O2Z  _O32    31     1.26434   114.41352  -179.95577
   37    33 S   CO4  _C22    37     1.54473   106.26781    62.85334
   38    37 S   O    _O37    38     1.23553   121.77202  -104.53496
   39    33 S   CT   _C20    70     1.55957   108.41585  -177.99592
   40    39 S   OM   _O39    71     1.32412   110.69673   177.26684
   41    39 S   HC   _H4_    72     1.10086   107.43680    46.10270
   42    33 S   C    _C23    75     1.55579   105.77355   -59.45137
   43    42 S   O    _O38    76     1.23007   123.95065   117.77092
   44    37 S   CT   _C16    39     1.53813   118.87797    71.51733
   45    42 S   N    _N4_    77     1.37945   115.17899   -62.09998
   46    45 S   H    _H14    78     1.01374   122.48358     1.42519
   47    45 S   H    _H15    79     1.01345   120.33667  -179.36975
   48    44 S   CO4  _C15    40     1.52450   111.66191   -92.62743
   49    48 S   O    _O35    41     1.23061   121.26110   -55.57388
   50    44 S   OH   _O40    73     1.44048   105.70228   156.78138
   51    50 S   HO   _H16    74     0.97478   107.45842    52.78189
   52    48 S   CA   _C7_    42     1.48769   119.46524   124.26132
   53    52 S   CA   _C6_    43     1.39286   118.64673    27.48830
   54    53 S   CA   _C5_    44     1.42011   119.15361   175.50673
   55    53 S   CT   _C18    63     1.51373   118.40089    -2.28550
   56    55 S   HC   _H12    64     1.09734   108.41346    82.42990
   57    55 S   HC   _H13    65     1.09496   111.39054  -159.89259
   58    54 S   CA   _C10    45     1.45176   121.35608    10.52428
   59    54 S   CT   _C4_    59     1.51524   117.35555  -167.55825
   60    59 S   HC   _H5_    60     1.09338   110.80734   -95.22532
   61    59 S   HC   _H6_    61     1.09474   112.05854    26.16926
   62    59 S   HC   _H7_    62     1.09358   110.95867   140.53065
   63    44 S   CT   _C17    66     1.52232   114.76647    39.80095
   64    63 S   HC   _H3_    67     1.10023   108.82745    80.42553
   65    58 S   CA   _C9_    46     1.43113   117.34845   -11.46032
   66    63 S   CO4  _C19    68     1.53305   113.39215   -35.76542
   67    66 S   O    _O36    69     1.23523   121.39912  -139.40683
   68    65 S   CA   _C14    47     1.42829   118.82861  -175.34979
   69    52 S   CA   _C8_    56     1.40127   121.27539  -154.30044
   70    68 S   CA   _C13    48     1.39037   122.87423    -1.87576
   71    70 S   HA   _H9_    49     1.08593   121.40666  -179.79729
   72    68 S   OH   _O33    54     1.37567   120.41271   178.31275
   73    72 S   HO   _H10    55     0.97160   109.68798   177.86503
   74    69 S   OH   _O34    57     1.37704   119.66810    -0.10653
   75    74 S   HO   _H11    58     0.97240   110.13683    -9.49637
   76    70 S   CA   _C12    50     1.37721   119.05515    -1.55595
   77    76 S   HA   _H8_    51     1.08778   118.79980  -177.10944
   78    58 S   CA   _C11    52     1.44265   126.59599   168.32882
   79    78 S   Cl   Cl1_    53     1.74009   124.11518    -9.93818
  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  11   5   4   3
  16   2   1   1  17   6  11   5   4   6   3  14   2   1   1  13
   5   6   1  13  16  15   9   4   3  14   5   2   1   1   3   2
  11   1   1   9   5   7   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    66    39    40    41    42    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    63    66    67    39    40    41    50    42    43    45    46    47  
   35    36  
   36  
    0  
   38    44    48    49    52    55    63    64    66    39    40    41    50    51    42    43    45  
   44    48    63    39    50    42  
   40    41    42    43    45    44    55    63    64    66    67  
   41    42    63    66    67  
   42    63    66    67  
   43    45    46    47    44    66  
   45    46    47  
   48    49    52    53    69    55    56    57    63    64    66    67    50    51  
   46    47  
   47  
    0  
   49    52    53    54    65    69    74    55    63    64    66    50    51  
   52    53    69    63    50  
   51    52    55    63    64    66  
   63  
   53    54    58    65    68    69    74    75    59    55    56    57    63  
   54    58    65    78    69    74    59    60    61    62    55    56    57    63    64    66  
   58    65    68    76    78    79    69    59    60    61    62    55    56    57    63  
   56    57    63    64    66    67    58    59    69  
   57    63    64    66  
   63    64    66  
   65    68    70    76    77    78    79    72    69    74    59    60    61    62  
   60    61    62    65    78  
   61    62  
   62  
    0  
   64    66    67  
   66    67  
   68    70    71    76    78    79    72    73    69    74    75  
   67  
    0  
   70    71    76    77    78    72    73    69    74  
   74    75    70    72    78  
   71    76    77    78    79    72    73  
   76    77    78    72  
   73    76  
    0  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    48   317.000  1.522
   44    63   268.000  1.529
   44    50   320.000  1.410
   48    49   570.000  1.229
   48    52   310.000  1.470
   52    53   469.000  1.400
   52    69   469.000  1.400
   53    54   469.000  1.400
   53    55   317.000  1.510
   54    58   469.000  1.400
   54    59   317.000  1.510
   58    65   469.000  1.400
   58    78   469.000  1.400
   65    68   469.000  1.400
   65    69   469.000  1.400
   68    70   469.000  1.400
   68    72   450.000  1.364
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   300.000  1.725
   72    73   553.000  0.945
   69    74   450.000  1.364
   74    75   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    66   317.000  1.522
   66    67   570.000  1.229
   66    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   50    51   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    66    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    45    70.00000  116.60000
   37    44    48    75.00000  107.99600
   37    44    63    63.00000  111.10000
   37    44    50    90.00000  109.61100
   44    37    38    80.00000  120.40000
   44    48    49    80.00000  120.40000
   44    48    52    65.00000  115.47100
   44    63    55    58.35000  112.70000
   44    63    64    37.50000  110.70000
   44    63    66    63.00000  111.10000
   44    50    51    55.00000  108.50000
   48    52    53    60.00000  119.52600
   48    52    69    60.00000  119.52600
   52    48    49    75.00000  123.78400
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.00000
   52    69    65    63.00000  120.00000
   52    69    74    70.00000  120.00000
   53    54    58    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.17500
   54    58    65    63.00000  120.00000
   54    58    78    63.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   58    65    68    63.00000  120.00000
   58    65    69    63.00000  120.00000
   58    78    76    63.00000  120.00000
   58    78    79    75.00000  120.00000
   65    68    70    63.00000  120.00000
   65    68    72    70.00000  120.00000
   65    69    74    70.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    76    63.00000  120.00000
   68    72    73    35.00000  113.00000
   70    76    77    35.00000  120.00000
   70    76    78    63.00000  120.00000
   76    70    71    35.00000  120.00000
   76    78    79    75.00000  120.00000
   78    58    65    63.00000  120.00000
   78    76    77    35.00000  120.00000
   72    68    70    70.00000  120.00000
   69    52    53    63.00000  120.00000
   69    65    68    63.00000  120.00000
   69    74    75    35.00000  113.00000
   59    54    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    53    54    70.00000  120.00000
   55    63    64    37.50000  110.70000
   55    63    66    63.00000  111.10000
   57    55    56    33.00000  107.80000
   63    44    48    63.00000  111.10000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    66    67    80.00000  120.40000
   63    66    39    70.00000  116.00000
   66    63    64    35.00000  109.50000
   66    39    40    90.00000  108.74100
   66    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    66    67    80.00000  120.40000
   41    39    40    45.00000  125.66300
   50    44    48    90.00000  109.61100
   50    44    63    50.00000  109.50000
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    45    46    35.00000  119.80000
   42    45    47    35.00000  119.80000
   45    42    43    80.00000  122.90000
   47    45    46    35.00000  120.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    45   0.00000  1.0 1.0
   33    37    44    48   0.65300  1.0 1.0
   33    37    44    48  -0.03850 -1.0 2.0
   33    37    44    48   0.33900  1.0 3.0
   33    37    44    63   0.60050  1.0 1.0
   33    37    44    63   0.05600 -1.0 2.0
   33    37    44    63   0.26150  1.0 3.0
   33    37    44    50   0.55300  1.0 1.0
   33    37    44    50   1.25850 -1.0 2.0
   33    37    44    50  -0.23600  1.0 3.0
   33    42    45    46   2.45000 -1.0 2.0
   33    42    45    47   2.45000 -1.0 2.0
   37    33    39    66   0.11950  1.0 1.0
   37    33    39    66   0.20300 -1.0 2.0
   37    33    39    66  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    45   0.00000  1.0 1.0
   37    44    48    49   0.30150 -1.0 2.0
   37    44    48    52   0.65300  1.0 1.0
   37    44    48    52  -0.03850 -1.0 2.0
   37    44    48    52   0.33900  1.0 3.0
   37    44    63    55  -0.95700  1.0 1.0
   37    44    63    55  -0.18200 -1.0 2.0
   37    44    63    55   0.29450  1.0 3.0
   37    44    63    64  -0.11250  1.0 3.0
   37    44   -63    66   0.11950  1.0 1.0
   37    44   -63    66   0.20300 -1.0 2.0
   37    44   -63    66  -0.70800  1.0 3.0
   37    44    50    51   0.91850  1.0 1.0
   37    44    50    51   0.57950  1.0 3.0
   38    37    44    48   0.30150 -1.0 2.0
   38    37    44    63   0.30150 -1.0 2.0
   38    37    44    50   0.30150 -1.0 2.0
   44    48    52    53   2.26350  1.0 1.0
   44    48    52    53   0.76750 -1.0 2.0
   44    48    52    53   0.22500  1.0 3.0
   44    48    52    69   2.26350  1.0 1.0
   44    48    52    69   0.76750 -1.0 2.0
   44    48    52    69   0.22500  1.0 3.0
   44    63    66    67   0.30150 -1.0 2.0
   44    63    66    39   0.60050  1.0 1.0
   44    63    66    39   0.05600 -1.0 2.0
   44    63    66    39   0.26150  1.0 3.0
   48    44    63    55  -0.95700  1.0 1.0
   48    44    63    55  -0.18200 -1.0 2.0
   48    44    63    55   0.29450  1.0 3.0
   48    44    63    64  -0.11250  1.0 3.0
   48    44    63    66   0.11950  1.0 1.0
   48    44    63    66   0.20300 -1.0 2.0
   48    44    63    66  -0.70800  1.0 3.0
   48    44    50    51   0.91850  1.0 1.0
   48    44    50    51   0.57950  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52   -53    55   3.62500 -1.0 2.0
   48    52    69    65   3.62500 -1.0 2.0
   48    52    69    74   3.62500 -1.0 2.0
   49    48    52    53   1.05000 -1.0 2.0
   49    48    52    69   1.05000 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    54    59   3.62500 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    57   0.00000  1.0 1.0
   52    53    55    63   0.04150 -1.0 2.0
   52    69    74    75   0.84100 -1.0 2.0
   53    52    69    65   3.62500 -1.0 2.0
   53    52    69    74   3.62500 -1.0 2.0
   53    54   -58    65   3.62500 -1.0 2.0
   53    54    58    78   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    62   0.00000  1.0 1.0
   53    55   -63    44  -0.03700  1.0 1.0
   53    55   -63    44   0.37200 -1.0 2.0
   53    55   -63    44  -0.47300  1.0 3.0
   53    55    63    64   0.43200  1.0 3.0
   53    55    63    66   0.56750  1.0 1.0
   53    55    63    66  -0.07550 -1.0 2.0
   53    55    63    66   0.20000  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    63   0.04150 -1.0 2.0
   54    58    65    68   3.62500 -1.0 2.0
   54    58    65    69   3.62500 -1.0 2.0
   54    58    78    76   3.62500 -1.0 2.0
   54    58    78    79   3.62500 -1.0 2.0
   58    54    59    60   0.00000  1.0 1.0
   58    54    59    61   0.00000  1.0 1.0
   58    54    59    62   0.00000  1.0 1.0
   58    65    68    70   3.62500 -1.0 2.0
   58    65    68    72   3.62500 -1.0 2.0
   58    65   -69    52   3.62500 -1.0 2.0
   58    65    69    74   3.62500 -1.0 2.0
   65    58    78    76   3.62500 -1.0 2.0
   65    58    78    79   3.62500 -1.0 2.0
   65    68    70    71   3.62500 -1.0 2.0
   65    68   -70    76   3.62500 -1.0 2.0
   65    68    72    73   0.84100 -1.0 2.0
   65    69    74    75   0.84100 -1.0 2.0
   68    65    69    52   3.62500 -1.0 2.0
   68    65    69    74   3.62500 -1.0 2.0
   68    70    76    77   3.62500 -1.0 2.0
   68    70    76    78   3.62500 -1.0 2.0
   70    68    72    73   0.84100 -1.0 2.0
   70    76   -78    58   3.62500 -1.0 2.0
   70    76    78    79   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    78   3.62500 -1.0 2.0
   77    76    78    58   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    58   -65    68   3.62500 -1.0 2.0
   78    58    65    69   3.62500 -1.0 2.0
   72    68    70    71   3.62500 -1.0 2.0
   72    68    70    76   3.62500 -1.0 2.0
   69    52   -53    54   3.62500 -1.0 2.0
   69    52    53    55   3.62500 -1.0 2.0
   69    65    68    70   3.62500 -1.0 2.0
   69    65    68    72   3.62500 -1.0 2.0
   59    54    58    65   3.62500 -1.0 2.0
   59    54    58    78   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   55    63    66    67   0.30150 -1.0 2.0
   55    63    66    39   0.60050  1.0 1.0
   55    63    66    39   0.05600 -1.0 2.0
   55    63    66    39   0.26150  1.0 3.0
   56    55    63    44   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    66  -0.11250  1.0 3.0
   57    55    63    44   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    66  -0.11250  1.0 3.0
   63    44    48    49   0.30150 -1.0 2.0
   63    44   -48    52   0.05850 -1.0 2.0
   63    44   -48    52   0.17250  1.0 3.0
   63    44    50    51  -0.11600  1.0 1.0
   63    44    50    51  -0.09450 -1.0 2.0
   63    44    50    51   0.21250  1.0 3.0
   63    66   -39    33   0.60050  1.0 1.0
   63    66   -39    33   0.05600 -1.0 2.0
   63    66   -39    33   0.26150  1.0 3.0
   63    66    39    40   0.55300  1.0 1.0
   63    66    39    40   1.25850 -1.0 2.0
   63    66    39    40  -0.23600  1.0 3.0
   63    66    39    41   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    39   0.00000  1.0 1.0
   67    66    39    33   0.30150 -1.0 2.0
   67    66    39    40   0.30150 -1.0 2.0
   67    66    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    45   1.39750  1.0 1.0
   39    33    42    45  -0.07950 -1.0 2.0
   39    33    42    45  -0.18750  1.0 3.0
   50    44    48    49   0.30150 -1.0 2.0
   50    44    48    52   0.65300  1.0 1.0
   50    44    48    52  -0.03850 -1.0 2.0
   50    44    48    52   0.33900  1.0 3.0
   50    44    63    55   0.86500  1.0 1.0
   50    44    63    55  -0.17500 -1.0 2.0
   50    44    63    55   0.20800  1.0 3.0
   50    44    63    64   0.23400  1.0 3.0
   50    44    63    66  -0.09450  1.0 1.0
   50    44    63    66  -1.12950 -1.0 2.0
   50    44    63    66   0.54000  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    66   0.11950  1.0 1.0
   42    33    39    66   0.20300 -1.0 2.0
   42    33    39    66  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    47   2.45000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    52    48    49  10.50000 -1.0 2.0
   53    69    52    48   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   58    59    54    53   4.00000 -1.0 2.0
   65    78    58    54   4.00000 -1.0 2.0
   68    69    65    58   4.00000 -1.0 2.0
   70    72    68    65   4.00000 -1.0 2.0
   76    71    70    68   1.10000 -1.0 2.0
   78    77    76    70   1.10000 -1.0 2.0
   76    79    78    58   4.00000 -1.0 2.0
   65    74    69    52   4.00000 -1.0 2.0
   63    39    66    67  10.50000 -1.0 2.0
   33    45    42    43  10.50000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
END
