* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    136    210     398
    1     0 S   NP   _N1_     1    28.93059    97.08159   -21.73246
    2     1 S   H    _HN1     2     1.02829    45.96334   159.64155
    3     1 S   H    _H1_     3     1.02784    94.34859   -89.57918
    4     1 S   H    _H2_     4     1.02948    70.33931    18.37531
    5     1 S   CT   _CA1     5     1.50129   150.65236   115.25867
    6     5 S   HC   _HA1     6     1.09583   105.17022    91.84891
    7     5 S   CO3  _C1_     7     1.53791   112.31087   -28.27299
    8     7 S   O2Z  _O11     8     1.26375   114.96496   -44.86999
    9     7 S   O2Z  _O12     9     1.26222   114.94701   133.91162
   10     5 S   CT   _CB1    10     1.53079   107.37985  -150.26700
   11    10 S   HC   HB11    11     1.09827   109.33397   -49.54987
   12    10 S   HC   HB12    12     1.09801   110.58169    67.13115
   13    10 S   CT   _CG1    13     1.52898   112.44060  -170.47288
   14    13 S   HC   HG11    14     1.09583   110.63208   -65.92696
   15    13 S   HC   HG12    15     1.09611   109.60058    53.25497
   16    13 S   C    _CD1    16     1.51801   112.42450   173.22199
   17    16 S   O    _OE1    17     1.22714   123.39585     3.33072
   18    16 S   N    _N2_    18     1.38552   111.49305  -176.25676
   19    18 S   H    _HN2    19     1.01527   118.71922     0.35608
   20    18 S   CT1  _CA2    20     1.46211   123.77870   177.32007
   21    20 S   HC   _HA2    21     1.09713   109.42772     1.95585
   22    20 S   C    _C2_    22     1.53512   108.59443  -113.81498
   23    22 S   O    _O2_    23     1.23062   122.24501  -149.41078
   24    20 S   CT   _CB2    32     1.53272   111.23848   124.15899
   25    24 S   HC   HB21    33     1.09601   109.49311    56.56439
   26    24 S   HC   HB22    34     1.09491   110.74376   175.55292
   27    22 S   N    _N3_    24     1.38303   113.77648    37.87523
   28    27 S   H    _HN3    25     1.01591   119.52063    -3.12756
   29    24 S   S    _SG2    35     1.82689   111.23071   -64.42889
   30    27 S   CT   _CA3    26     1.45266   123.23964   177.84978
   31    30 S   HC   HA31    27     1.09540   107.51186   -66.13997
   32    30 S   HC   HA32    28     1.09563   107.98751    50.33442
   33    29 S   CT   _C23    36     1.83966    99.40569   162.37135
   34    33 S   HC   _H3_    37     1.09274   105.42773   -40.64648
   35    30 S   CO3  _C3_    29     1.52953   114.06616   172.36563
   36    35 S   O2Z  _O31    30     1.26370   116.07083     2.18865
   37    35 S   O2Z  _O32    31     1.26423   114.41342  -177.73774
   38    33 S   CA   _C11    38     1.51889   112.56178    76.70055
   39    33 S   CM   _C16    50     1.51616   107.90537  -158.22346
   40    39 S   HC   _H32    51     1.09299   114.33193   -69.66822
   41    38 S   CA   _C5_    39     1.40587   122.15812    58.32978
   42    41 S   HA   _H27    40     1.08753   120.49378    -0.24549
   43    39 S   CMA  _C18    52     1.35903   129.59288   109.75906
   44    43 S   OM   _O21    53     1.26543   126.89911  -179.31329
   45    41 S   CA   _C8_    41     1.39650   120.84512   179.72305
   46    45 S   HA   _H30    42     1.08597   119.43925   179.89165
   47    43 S   CA   _C10    54     1.49719   114.29694     0.06853
   48    45 S   CA   _C13    43     1.39171   119.54690    -0.18767
   49    47 S   CA   _C4_    55     1.40454   118.43473    94.47701
   50    49 S   HA   _H26    56     1.08789   120.30237     1.24788
   51    48 S   CA   _C9_    44     1.39060   120.70475    -0.09691
   52    51 S   HA   _H31    45     1.08619   120.52159  -179.83331
   53    48 S   OH   _O22    48     1.36614   121.08109   180.00000
   54    53 S   HO   _H43    49     0.97237   108.54042     0.05595
   55    49 S   CA   _C7_    57     1.39320   120.58856  -178.15793
   56    55 S   HA   _H29    58     1.08619   119.23667   179.56121
   57    38 S   CA   _C6_    46     1.40539   119.39510  -122.42093
   58    57 S   HA   _H28    47     1.08765   120.39563     0.25179
   59    55 S   CA   _C14    59     1.39543   119.79167     0.02798
   60    59 S   CA   _C12    60     1.40424   121.45314    -0.62275
   61    59 S   OH   _O23    78     1.37051   119.41051   179.08828
   62    61 S   HO   _H44    79     0.97212   108.80625     0.59742
   63    47 S   CA   _C15    61     1.41154   122.75594   -84.27163
   64    60 S   CT   _C22    64     1.51621   120.67568   178.57550
   65    64 S   HC   _H40    65     1.09730   108.84421    37.70800
   66    64 S   HC   _H41    66     1.09667   109.49011   152.92083
   67    63 S   OH   _O24    62     1.37344   120.88854    -1.28740
   68    67 S   HO   _H45    63     0.97269   108.74080    -7.41646
   69    64 S   CM   _C17    67     1.50607   112.84897   -84.23979
   70    69 S   HC   _H33    68     1.08904   116.42387     4.32518
   71    69 S   CM   _C19    69     1.34700   125.58607  -175.86976
   72    71 S   CT   _C20    70     1.50436   120.92850   179.87805
   73    72 S   HC   _H34    71     1.09478   110.29242   119.48905
   74    72 S   HC   _H35    72     1.09452   110.16816  -120.74881
   75    72 S   HC   _H36    73     1.09500   112.34862    -0.66793
   76    71 S   CT   _C21    74     1.50290   124.32633    -0.26095
   77    76 S   HC   _H37    75     1.09484   110.16517   119.79118
   78    76 S   HC   _H38    76     1.09506   110.06281  -120.82231
   79    76 S   HC   _H39    77     1.09318   113.18509    -0.69577
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   8   3   7   3  10   6
   8   4   5   3   2   1   7   3   1   1   9  11   3   1   6   8
   4   3   1   1  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    57    58    39    40    43  
   40    43    44    47    49    63    41    57  
   43    44    47  
   42    45    46    48    51    57    58    53  
   45    46    48    57  
   44    47    49    50    55    60    63    67  
   47    49    63  
   46    48    51    52    57    53    54  
   48    51    53  
   49    50    55    56    59    60    63    67    68    64  
   51    52    57    58    53    54  
   50    55    56    59    60    63    67    61  
   55    56    59    63  
   52    57    58    53    54  
   57    58    53  
   54    57  
    0  
   56    59    60    63    64    61    62  
   59    60    61  
   58  
    0  
   60    63    67    64    65    66    69    61    62  
   63    67    68    64    65    66    69    70    71    61    62  
   62    63    64  
    0  
   67    68    64    65    66    69  
   65    66    69    70    71    72    76    67  
   66    69    70    71  
   69    70    71  
   68  
    0  
   70    71    72    73    74    75    76    77    78    79  
   71    72    76  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    63   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    63   469.000  1.400
   60    64   317.000  1.510
   63    67   450.000  1.364
   67    68   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   317.000  1.510
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   317.000  1.510
   71    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   61    62   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    57    63.00000  120.00000
   48    53    54    35.00000  113.00000
   51    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    51    52    35.00000  120.00000
   53    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    63    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    50    35.00000  120.00000
   47    49    55    63.00000  120.00000
   47    63    60    63.00000  120.00000
   47    63    67    70.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    59    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    59    60    63.00000  120.00000
   55    59    61    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    60    63    63.00000  120.00000
   59    60    64    70.00000  120.00000
   59    61    62    35.00000  113.00000
   60    63    67    70.00000  120.00000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    69    70.00000  112.99600
   63    47    49    63.00000  120.00000
   63    67    68    35.00000  113.00000
   64    60    63    70.00000  120.00000
   64    69    70    35.00000  117.00000
   64    69    71    70.00000  124.00000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    71    72    70.00000  124.00000
   69    71    76    70.00000  124.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    71    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    59    60    70.00000  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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   45    48    53    54   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -57    38   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   51    48    53    54   0.84100 -1.0 2.0
   52    51    57    38   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    63   0.15800  1.0 1.0
   39    43    47    63   1.85350 -1.0 2.0
   39    43    47    63  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   3.62500 -1.0 2.0
   43    47    49    55   3.62500 -1.0 2.0
   43    47    63    60   3.62500 -1.0 2.0
   43    47    63    67   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    63  -0.01750  1.0 1.0
   44    43    47    63  -0.32000 -1.0 2.0
   44    43    47    63   0.00600  1.0 3.0
   47    49    55    56   3.62500 -1.0 2.0
   47    49    55    59   3.62500 -1.0 2.0
   47    63    67    68   0.84100 -1.0 2.0
   49    47    63    60   3.62500 -1.0 2.0
   49    47    63    67   3.62500 -1.0 2.0
   49    55   -59    60   3.62500 -1.0 2.0
   49    55    59    61   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    59   3.62500 -1.0 2.0
   55    59    60    63   3.62500 -1.0 2.0
   55    59    60    64   3.62500 -1.0 2.0
   55    59    61    62   0.84100 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   59    60   -63    47   3.62500 -1.0 2.0
   59    60    63    67   3.62500 -1.0 2.0
   59    60    64    65   0.00000  1.0 1.0
   59    60    64    66   0.00000  1.0 1.0
   59    60    64    69   0.18050 -1.0 2.0
   60    59    61    62   0.84100 -1.0 2.0
   60    63    67    68   0.84100 -1.0 2.0
   60    64    69    70   0.00000  1.0 1.0
   60    64    69    71   1.44450  1.0 1.0
   60    64    69    71   0.06600 -1.0 2.0
   60    64    69    71   0.29250  1.0 3.0
   63    47    49    50   3.62500 -1.0 2.0
   63    47   -49    55   3.62500 -1.0 2.0
   63    60    64    65   0.00000  1.0 1.0
   63    60    64    66   0.00000  1.0 1.0
   63    60    64    69   0.18050 -1.0 2.0
   64    60    63    47   3.62500 -1.0 2.0
   64    60    63    67   3.62500 -1.0 2.0
   64    69    71    72   7.00000 -1.0 2.0
   64    69    71    76   7.00000 -1.0 2.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.33100  1.0 3.0
   66    64    69    71   0.00000  1.0 1.0
   69    71    72    73   0.00000  1.0 1.0
   69    71    72    74   0.00000  1.0 1.0
   69    71    72    75   0.00000  1.0 1.0
   69    71    76    77   0.00000  1.0 1.0
   69    71    76    78   0.00000  1.0 1.0
   69    71    76    79   0.00000  1.0 1.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    76   7.00000 -1.0 2.0
   72    71    76    77   0.34800  1.0 3.0
   72    71    76    78   0.34800  1.0 3.0
   72    71    76    79   0.34800  1.0 3.0
   76    71    72    73   0.34800  1.0 3.0
   76    71    72    74   0.34800  1.0 3.0
   76    71    72    75   0.34800  1.0 3.0
   61    59    60    63   3.62500 -1.0 2.0
   61    59    60    64   3.62500 -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
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   57    52    51    48   1.10000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    63    47    43   4.00000 -1.0 2.0
   55    50    49    47   1.10000 -1.0 2.0
   59    56    55    49   1.10000 -1.0 2.0
   60    61    59    55   4.00000 -1.0 2.0
   63    64    60    59   4.00000 -1.0 2.0
   60    67    63    47   4.00000 -1.0 2.0
   64    70    69    71  15.00000 -1.0 2.0
   72    76    71    69  15.00000 -1.0 2.0
END
