* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    238     430
    1     0 S   NP   _N1_     1    28.62681    93.40702   -24.69437
    2     1 S   H    _HN1     2     1.02775   110.48406   -78.49034
    3     1 S   H    _H1_     3     1.02960    84.72008    29.13777
    4     1 S   H    _H2_     4     1.02833    23.17971  -166.33210
    5     1 S   CT   _CA1     5     1.50148   126.33091   140.56979
    6     5 S   HC   _HA1     6     1.09579   105.18788    78.75774
    7     5 S   CO3  _C1_     7     1.53760   112.38275   -41.33050
    8     7 S   O2Z  _O11     8     1.26358   114.98683   -43.19809
    9     7 S   O2Z  _O12     9     1.26239   114.91118   135.80568
   10     5 S   CT   _CB1    10     1.53081   107.39212  -163.42411
   11    10 S   HC   HB11    11     1.09827   109.19429   -51.11607
   12    10 S   HC   HB12    12     1.09816   110.46360    65.38941
   13    10 S   CT   _CG1    13     1.53020   112.74655  -172.24587
   14    13 S   HC   HG11    14     1.09597   110.44660   -65.99136
   15    13 S   HC   HG12    15     1.09661   109.95358    53.23125
   16    13 S   C    _CD1    16     1.51847   112.30162   173.45740
   17    16 S   O    _OE1    17     1.22730   123.25181    -0.66264
   18    16 S   N    _N2_    18     1.38615   111.68964   179.85735
   19    18 S   H    _HN2    19     1.01579   119.01811     0.82945
   20    18 S   CT1  _CA2    20     1.46203   123.44882   178.96827
   21    20 S   HC   _HA2    21     1.09742   109.45056     0.63919
   22    20 S   C    _C2_    22     1.53520   108.47061  -114.93337
   23    22 S   O    _O2_    23     1.23046   122.21420  -144.17713
   24    20 S   CT   _CB2    32     1.53457   111.55979   122.67165
   25    24 S   HC   HB21    33     1.09470   109.54613    56.04365
   26    24 S   HC   HB22    34     1.09322   109.62100   174.67391
   27    22 S   N    _N3_    24     1.38498   113.57607    43.19382
   28    27 S   H    _HN3    25     1.01482   119.02908    -0.26393
   29    24 S   S    _SG2    35     1.82975   111.23938   -65.29854
   30    27 S   CT   _CA3    26     1.45442   123.34820   175.21038
   31    30 S   HC   HA31    27     1.09530   109.15616    26.52213
   32    30 S   HC   HA32    28     1.09494   107.15330   143.50151
   33    29 S   CT   _C20    36     1.85208   101.56994   176.88310
   34    33 S   OM   _O39    37     1.31996   108.65937  -170.03461
   35    30 S   CO3  _C3_    29     1.52922   113.11211   -96.90116
   36    35 S   O2Z  _O31    30     1.26402   115.39372   -45.35489
   37    35 S   O2Z  _O32    31     1.26355   114.99302   135.55562
   38    33 S   CO4  _C19    38     1.54234   108.14293   -57.55979
   39    38 S   O    _O36    39     1.23569   122.39954   -50.64499
   40    33 S   CT   _C21    72     1.55166   112.73048    66.62695
   41    40 S   HC   _H4_    73     1.09939   109.33889   -57.76750
   42    38 S   CT   _C17    40     1.53942   116.65625   126.21248
   43    42 S   HC   _H3_    41     1.10183   104.32467   -70.11369
   44    40 S   C    _C23    74     1.53840   113.73441    61.02520
   45    44 S   O    _O38    75     1.22900   124.09290    79.95462
   46    42 S   CT   _C18    42     1.53429   111.81798   175.28840
   47    46 S   HC   _H12    43     1.09764   109.63739   163.94602
   48    46 S   HC   _H13    44     1.09697   107.69122    47.78754
   49    44 S   N    _N4_    76     1.37774   113.78390  -100.38457
   50    49 S   H    _H14    77     1.01343   122.83266     1.28481
   51    49 S   H    _H15    78     1.01353   120.06555   179.95154
   52    46 S   CA   _C6_    45     1.51522   114.24258   -74.62499
   53    52 S   CA   _C7_    46     1.39751   120.33712   -23.31367
   54    53 S   CA   _C8_    47     1.40826   118.79760   178.91827
   55    53 S   CO4  _C15    66     1.50831   120.33123    -2.12339
   56    55 S   O    _O35    67     1.23217   118.81217  -179.19521
   57    54 S   CA   _C9_    48     1.42880   123.13245    -2.27529
   58    54 S   OH   _O34    64     1.37921   120.00066   178.71154
   59    58 S   HO   _H11    65     0.97240   109.92747     0.33572
   60    42 S   CT   _C16    68     1.53174   110.85262    49.39917
   61    60 S   OM   _O40    69     1.32287   109.91950  -167.05432
   62    57 S   CA   _C10    49     1.42832   118.86549     1.06036
   63    60 S   CO4  _C22    70     1.54828   111.68385   -51.05764
   64    63 S   O    _O37    71     1.23526   122.32265  -173.98585
   65    52 S   CA   _C5_    50     1.42786   120.06417   158.36203
   66    62 S   CA   _C11    55     1.44473   116.13942  -174.94991
   67    66 S   Cl   Cl1_    56     1.74029   124.31480   170.27170
   68    65 S   CT   _C4_    51     1.51771   117.34502     9.07272
   69    68 S   HC   _H5_    52     1.09347   110.65130   -98.00107
   70    68 S   HC   _H6_    53     1.09383   112.75336    23.11653
   71    68 S   HC   _H7_    54     1.09376   110.70749   137.83125
   72    66 S   CA   _C12    57     1.40021   122.89776    -4.89497
   73    72 S   HA   _H8_    58     1.08773   121.09862  -179.53438
   74    72 S   CA   _C13    59     1.37608   120.07339     1.56160
   75    74 S   HA   _H9_    60     1.08588   119.51856  -179.95154
   76    57 S   CA   _C14    61     1.43052   122.52219  -178.79732
   77    76 S   OH   _O33    62     1.37626   120.47593    -2.05833
   78    77 S   HO   _H10    63     0.97143   109.69402   179.61539
  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
  14   7   2   1   1  14   5  12   6  13   8   7   4  12   5   4
   3   1   1  14  13  12   8   3  13   3   1   3   2  12   1   1
   8   7   3   3   2   1   1   5   3   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    63    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    60    63    64    40    41    44    45    49  
   38    39    42    63    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    55    60    61    63    40    41    44  
   42    43    46    60    40  
   41    44    45    49    50    51    42    55    60    61    63    64  
   44    45    49    60    63    64  
   43    46    47    48    52    53    65    55    56    60    61    63    64  
   46    47    48    52    55    60    61    63  
   45    49    50    51    60    63    64  
   49    50    51    63  
   47    48    52    53    54    62    65    68    55    60    61    63  
   48    52    53    65    60  
   52    53    65    60  
   50    51    63  
   51  
    0  
   53    54    57    62    65    68    69    70    71    66    58    55    56    60  
   54    57    62    65    68    76    58    59    55    56    60    61    63  
   57    62    65    66    74    76    77    58    59    55    56    60  
   56    60    61    63    64    57    58    65  
   60    61    63  
   62    65    68    66    67    72    74    75    76    77    78    58    59  
   59    62    76  
    0  
   61    63    64  
   63    64  
   65    68    69    70    71    66    67    72    73    74    76    77  
   64  
    0  
   68    69    70    71    66    67    72    76  
   67    72    73    74    75    76    68  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    65   469.000  1.400
   53    54   469.000  1.400
   53    55   310.000  1.470
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    62   469.000  1.400
   57    76   469.000  1.400
   62    65   469.000  1.400
   62    66   469.000  1.400
   65    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   66    67   300.000  1.725
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   58    59   553.000  0.945
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   570.000  1.307
   60    63   317.000  1.522
   63    64   570.000  1.229
   63    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   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    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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    63    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    60    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    60    55    63.00000  111.10000
   42    60    61    50.00000  109.50000
   42    60    63    63.00000  111.10000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    65    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    60.00000  119.52600
   52    65    62    63.00000  120.00000
   52    65    68    70.00000  120.00000
   53    54    57    63.00000  120.00000
   53    54    58    70.00000  120.00000
   53    55    56    75.00000  123.78400
   53    55    60    65.00000  115.47100
   54    57    62    63.00000  120.00000
   54    57    76    63.00000  120.00000
   54    58    59    35.00000  113.00000
   57    62    65    63.00000  120.00000
   57    62    66    63.00000  120.00000
   57    76    74    63.00000  120.00000
   57    76    77    70.00000  120.00000
   62    65    68    70.00000  120.00000
   62    66    67    75.00000  120.00000
   62    66    72    63.00000  120.00000
   65    52    53    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   66    62    65    63.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    74    63.00000  120.00000
   72    66    67    75.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    57    62    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   58    54    57    70.00000  120.00000
   55    53    54    60.00000  119.52600
   55    60    61    90.00000  108.74100
   55    60    63    75.00000  107.99600
   60    42    43    37.50000  110.70000
   60    42    46    58.35000  112.70000
   60    55    56    80.00000  120.40000
   60    63    64    80.00000  120.40000
   60    63    40    70.00000  116.00000
   63    60    61    90.00000  108.74100
   63    40    41    35.00000  109.50000
   63    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    63    64    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    63   0.56750  1.0 1.0
   29    33    40    63  -0.07550 -1.0 2.0
   29    33    40    63   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    60   0.60050  1.0 1.0
   33    38    42    60   0.05600 -1.0 2.0
   33    38    42    60   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    63  -0.09450  1.0 1.0
   34    33    40    63  -1.12950 -1.0 2.0
   34    33    40    63   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    63   0.11950  1.0 1.0
   38    33    40    63   0.20300 -1.0 2.0
   38    33    40    63  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    60    55   0.11950  1.0 1.0
   38    42    60    55   0.20300 -1.0 2.0
   38    42    60    55  -0.70800  1.0 3.0
   38    42    60    61  -0.09450  1.0 1.0
   38    42    60    61  -1.12950 -1.0 2.0
   38    42    60    61   0.54000  1.0 3.0
   38    42   -60    63   0.11950  1.0 1.0
   38    42   -60    63   0.20300 -1.0 2.0
   38    42   -60    63  -0.70800  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    60   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    65   0.04150 -1.0 2.0
   42    60    63    64   0.30150 -1.0 2.0
   42    60    63    40   0.60050  1.0 1.0
   42    60    63    40   0.05600 -1.0 2.0
   42    60    63    40   0.26150  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    60    55  -0.11250  1.0 3.0
   43    42    60    61   0.23400  1.0 3.0
   43    42    60    63  -0.11250  1.0 3.0
   46    42    60    55  -0.95700  1.0 1.0
   46    42    60    55  -0.18200 -1.0 2.0
   46    42    60    55   0.29450  1.0 3.0
   46    42    60    61   0.62750  1.0 1.0
   46    42    60    61  -0.30950 -1.0 2.0
   46    42    60    61   0.27300  1.0 3.0
   46    42    60    63  -0.95700  1.0 1.0
   46    42    60    63  -0.18200 -1.0 2.0
   46    42    60    63   0.29450  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    55   3.62500 -1.0 2.0
   46    52    65    62   3.62500 -1.0 2.0
   46    52    65    68   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    65   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    65   0.00000  1.0 1.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    56   1.05000 -1.0 2.0
   52    53    55    60   2.26350  1.0 1.0
   52    53    55    60   0.76750 -1.0 2.0
   52    53    55    60   0.22500  1.0 3.0
   52    65    68    69   0.00000  1.0 1.0
   52    65    68    70   0.00000  1.0 1.0
   52    65    68    71   0.00000  1.0 1.0
   53    52    65    62   3.62500 -1.0 2.0
   53    52    65    68   3.62500 -1.0 2.0
   53    54   -57    62   3.62500 -1.0 2.0
   53    54    57    76   3.62500 -1.0 2.0
   53    54    58    59   0.84100 -1.0 2.0
   53    55   -60    42   0.05850 -1.0 2.0
   53    55   -60    42   0.17250  1.0 3.0
   53    55    60    61   0.65300  1.0 1.0
   53    55    60    61  -0.03850 -1.0 2.0
   53    55    60    61   0.33900  1.0 3.0
   53    55    60    63   0.65300  1.0 1.0
   53    55    60    63  -0.03850 -1.0 2.0
   53    55    60    63   0.33900  1.0 3.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    60   2.26350  1.0 1.0
   54    53    55    60   0.76750 -1.0 2.0
   54    53    55    60   0.22500  1.0 3.0
   54    57    62    65   3.62500 -1.0 2.0
   54    57    62    66   3.62500 -1.0 2.0
   54    57    76    74   3.62500 -1.0 2.0
   54    57    76    77   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    62   -65    52   3.62500 -1.0 2.0
   57    62    65    68   3.62500 -1.0 2.0
   57    62    66    67   3.62500 -1.0 2.0
   57    62    66    72   3.62500 -1.0 2.0
   57    76    77    78   0.84100 -1.0 2.0
   62    57    76    74   3.62500 -1.0 2.0
   62    57    76    77   3.62500 -1.0 2.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.00000  1.0 1.0
   62    65    68    71   0.00000  1.0 1.0
   62    66    72    73   3.62500 -1.0 2.0
   62    66   -72    74   3.62500 -1.0 2.0
   65    52   -53    54   3.62500 -1.0 2.0
   65    52    53    55   3.62500 -1.0 2.0
   65    62    66    67   3.62500 -1.0 2.0
   65    62    66    72   3.62500 -1.0 2.0
   66    62    65    52   3.62500 -1.0 2.0
   66    62    65    68   3.62500 -1.0 2.0
   66    72    74    75   3.62500 -1.0 2.0
   66    72    74    76   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    74   3.62500 -1.0 2.0
   72    74   -76    57   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    57    62    65   3.62500 -1.0 2.0
   76    57   -62    66   3.62500 -1.0 2.0
   58    54    57    62   3.62500 -1.0 2.0
   58    54    57    76   3.62500 -1.0 2.0
   55    53    54    57   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    60    63    64   0.30150 -1.0 2.0
   55    60    63    40   0.65300  1.0 1.0
   55    60    63    40  -0.03850 -1.0 2.0
   55    60    63    40   0.33900  1.0 3.0
   56    55    60    42   0.30150 -1.0 2.0
   56    55    60    61   0.30150 -1.0 2.0
   56    55    60    63   0.30150 -1.0 2.0
   60    42    46    47   0.15000  1.0 3.0
   60    42    46    48   0.15000  1.0 3.0
   60    42   -46    52  -0.03700  1.0 1.0
   60    42   -46    52   0.37200 -1.0 2.0
   60    42   -46    52  -0.47300  1.0 3.0
   60    63   -40    33   0.60050  1.0 1.0
   60    63   -40    33   0.05600 -1.0 2.0
   60    63   -40    33   0.26150  1.0 3.0
   60    63    40    41   0.00000  1.0 1.0
   60    63    40    44   0.65300  1.0 1.0
   60    63    40    44  -0.03850 -1.0 2.0
   60    63    40    44   0.33900  1.0 3.0
   61    60    63    64   0.30150 -1.0 2.0
   61    60    63    40   0.55300  1.0 1.0
   61    60    63    40   1.25850 -1.0 2.0
   61    60    63    40  -0.23600  1.0 3.0
   63    40    44    45   0.30150 -1.0 2.0
   63    40    44    49   0.00000  1.0 1.0
   64    63    40    33   0.30150 -1.0 2.0
   64    63    40    41   0.00000  1.0 1.0
   64    63    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   53    65    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   57    58    54    53   4.00000 -1.0 2.0
   62    76    57    54   4.00000 -1.0 2.0
   65    66    62    57   4.00000 -1.0 2.0
   62    68    65    52   4.00000 -1.0 2.0
   72    67    66    62   4.00000 -1.0 2.0
   74    73    72    66   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    57   4.00000 -1.0 2.0
   53    60    55    56  10.50000 -1.0 2.0
   60    40    63    64  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
