* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    201    328     603
    1     0 S   NP   _N1_     1    30.34157   101.69564   -17.68141
    2     1 S   H    _HN1     2     1.02776    57.89120   -77.84722
    3     1 S   H    _H1_     3     1.02954    67.09798    54.18785
    4     1 S   H    _H2_     4     1.02824    83.16424   165.96346
    5     1 S   CT   _CA1     5     1.50164   165.65411   -28.35416
    6     5 S   HC   _HA1     6     1.09574   105.14154  -105.68269
    7     5 S   CO3  _C1_     7     1.53765   112.47397   134.27775
    8     7 S   O2Z  _O11     8     1.26366   114.98302   -39.23494
    9     7 S   O2Z  _O12     9     1.26235   114.97105   139.73900
   10     5 S   CT   _CB1    10     1.53070   107.36470    12.23163
   11    10 S   HC   HB11    11     1.09827   109.23839   -49.44881
   12    10 S   HC   HB12    12     1.09806   110.45647    67.09992
   13    10 S   CT   _CG1    13     1.52979   112.73260  -170.48070
   14    13 S   HC   HG11    14     1.09530   110.49180   -66.87216
   15    13 S   HC   HG12    15     1.09667   109.89429    52.32344
   16    13 S   C    _CD1    16     1.51835   112.29137   172.56621
   17    16 S   O    _OE1    17     1.22735   123.27176     2.73323
   18    16 S   N    _N2_    18     1.38613   111.64996  -176.99476
   19    18 S   H    _HN2    19     1.01590   118.95882     0.43386
   20    18 S   CT1  _CA2    20     1.46304   123.47562   178.13334
   21    20 S   HC   _HA2    21     1.09741   109.40328    -2.26123
   22    20 S   C    _C2_    22     1.53467   108.67700  -117.74533
   23    22 S   O    _O2_    23     1.23056   122.32588  -149.22290
   24    20 S   CT   _CB2    32     1.53379   111.27075   119.86083
   25    24 S   HC   HB21    33     1.09288   109.21954    56.22868
   26    24 S   HC   HB22    34     1.09442   110.26018   174.63129
   27    22 S   N    _N3_    24     1.38351   113.61713    38.36970
   28    27 S   H    _HN3    25     1.01613   119.48954    -3.72589
   29    24 S   S    _SG2    35     1.82762   110.59435   -66.59328
   30    27 S   CT   _CA3    26     1.45275   123.17490   176.93842
   31    30 S   HC   HA31    27     1.09551   107.53375   -63.74625
   32    30 S   HC   HA32    28     1.09558   107.94330    52.66596
   33    29 S   CT   _C15    36     1.88865   103.27735   155.56434
   34    30 S   CO3  _C3_    29     1.52944   114.12422   174.64515
   35    34 S   O2Z  _O31    30     1.26372   116.07333    -0.67522
   36    34 S   O2Z  _O32    31     1.26431   114.40727   179.38674
   37    33 S   CT   _C14    37     1.55718   107.67422   170.61875
   38    37 S   HC   _H15    38     1.09680   109.54232   -59.88974
   39    37 S   HC   _H16    39     1.09596   108.80450  -175.02224
   40    33 S   CT   _C18    77     1.56691   109.52334    49.24683
   41    40 S   HC   _H17    78     1.09692   107.84361   -61.74793
   42    40 S   HC   _H18    79     1.09523   109.83329  -173.07035
   43    37 S   CT   _C13    40     1.55075   116.53737    63.05378
   44    43 S   HC   _H4_    41     1.09691   106.32340   167.30115
   45    40 S   CT   _C19    80     1.53801   120.46720    64.02187
   46    43 S   CT   _C12    42     1.56341   114.42957    47.75752
   47    43 S   OH   _O38    75     1.41965   108.78383   -80.99071
   48    47 S   HO   _H31    76     0.97170   108.25023   -52.42840
   49    45 S   CT   _C20    81     1.54192   114.71452    90.50895
   50    49 S   HC   _H19    82     1.09504   112.42035    82.39650
   51    49 S   HC   _H20    83     1.09327   112.89501   -39.29983
   52    46 S   CM   _C11    43     1.52891   111.95670   -33.73888
   53    46 S   CT   _C27    71     1.55624   106.84807    83.13056
   54    53 S   HC   _H32    72     1.09467   111.44050    65.55462
   55    53 S   HC   _H33    73     1.09249   112.09997   -52.50369
   56    53 S   HC   _H34    74     1.09560   112.55529  -173.39832
   57    49 S   CT   _C21    84     1.52746   102.18505  -156.80565
   58    57 S   HC   _H21    85     1.09681   108.87342   110.73877
   59    57 S   HC   _H22    86     1.09205   113.65229  -129.26029
   60    52 S   CM   _C10    44     1.34084   111.71038  -147.81916
   61    60 S   HC   _H14    45     1.08081   124.69847  -177.81269
   62    33 S   CT   _C16    66     1.56147   107.88111   -71.49762
   63    62 S   HC   _H5_    67     1.09828   107.71935    49.47493
   64    57 S   CT   _C22    87     1.52559   102.10034    -5.29964
   65    64 S   HC   _H6_    88     1.09331   113.79631   157.54961
   66    60 S   CT   _C9_    46     1.48992   111.85215    -0.49653
   67    66 S   HC   _H12    47     1.09402   110.60616   142.75712
   68    66 S   HC   _H13    48     1.09581   109.67550   -98.07772
   69    62 S   CO3  _C17    68     1.55556   119.71071   166.19636
   70    69 S   O2Z  _O36    69     1.26133   117.00596    28.31955
   71    69 S   O2Z  _O35    70     1.26735   114.51949  -150.72452
   72    64 S   CT   _C23    89     1.54360   114.02518   -68.12032
   73    45 S   OS   _O37   101     1.44121   116.71759   -28.10091
   74    46 S   CT   _C8_    49     1.62011   119.22582  -150.16932
   75    45 S   CT   _C24    90     1.54720   113.06557  -144.72182
   76    75 S   HC   _H23    91     1.09635   111.02701    40.08240
   77    75 S   HC   _H24    92     1.09551   111.84495   -79.84770
   78    72 S   CT   _C25    93     1.54016   109.64590  -174.14713
   79    78 S   HC   _H25    94     1.09576   110.84444    65.70420
   80    78 S   HC   _H26    95     1.09580   111.83955   -54.31250
   81    78 S   HC   _H27    96     1.09582   111.02934  -174.43563
   82    72 S   CT   _C26    97     1.52892   114.44911   -51.55815
   83    82 S   HC   _H28    98     1.09536   110.94624   -56.59073
   84    82 S   HC   _H29    99     1.09597   110.86754  -176.45105
   85    82 S   HC   _H30   100     1.09448   112.19336    64.29214
   86    74 S   CT   _C28    50     1.55821   114.31048    41.32034
   87    86 S   HC   _H35    51     1.09236   112.58288   -80.47965
   88    86 S   HC   _H36    52     1.09585   111.39575   160.76126
   89    86 S   HC   _H37    53     1.09414   112.24510    41.97125
   90    74 S   CT   _C5_    54     1.57920   115.57396   -87.55901
   91    90 S   HC   _H3_    55     1.09648   107.51441   -55.52047
   92    90 S   CT   _C4_    56     1.54309   112.94991  -170.93570
   93    92 S   HC   _H7_    57     1.09443   111.87757   -67.49930
   94    92 S   HC   _H8_    58     1.09535   110.77465   172.94353
   95    92 S   HC   _H9_    59     1.09372   111.74699    54.14441
   96    90 S   CT   _C6_    60     1.54160   113.58719    64.81958
   97    96 S   HC   _H10    61     1.09202   110.65306   -45.79589
   98    96 S   HC   _H11    62     1.09673   110.00315    71.84522
   99    96 S   CO3  _C7_    63     1.53541   115.98621  -165.03199
  100    99 S   O2Z  _O34    64     1.26476   114.41413  -148.85462
  101    99 S   O2Z  _O33    65     1.26192   116.27212    32.18650
  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  13   5   4   3
  21   2   1   1  17   7   6  18   6   5  15   6  16  24   4   1
  12   7   6  17   9   3   2   1   9   5   4  10   5   6   3  14
   5  11   4   3   2   1   1  12   5  14  10   3   2   7   3   2
   1   3   2   1   1   7   3   2   1  11   8   7   3   2   1   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    52    62    63    69    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    46    52    60    62    63    69    70    71    47    40    41    42    45    49    75    73  
   35    36  
   36  
    0  
   38    39    43    44    46    52    74    62    63    69    53    47    48    40    41    42    45  
   39    43    44    46    62    47    40  
   43    44    46    62    47    40  
   41    42    45    49    50    51    57    64    72    75    76    77    73    43    52    62    63    69  
   42    45    49    75    73    62  
   45    49    75    73    62  
   44    46    52    60    66    74    86    90    62    53    54    55    56    47    48  
   46    52    74    53    47    48  
   49    50    51    57    58    59    64    65    72    75    76    77    78    82    73    62  
   52    60    61    66    67    68    74    86    87    88    89    90    91    92    96    62    63    69    53    54    55    56    47    48  
   48    52    53    74  
    0  
   50    51    57    58    59    64    65    72    75    76    77    73  
   51    57    58    59    64    75    73  
   57    58    59    64    75    73  
   60    61    66    67    68    74    86    90    62    63    69    70    71    53    54    55    56  
   54    55    56    60    62    66    74    86    90  
   55    56    74  
   56    74  
   74  
   58    59    64    65    72    75    78    82    73  
   59    64    65    72    73  
   64    65    72    73  
   61    66    67    68    74    86    90    62    63    69  
   66    67    68    74    62  
   63    69    70    71    66    74  
   69    70    71  
   65    72    75    76    77    78    79    80    81    82    83    84    85    73  
   72    75    78    82    73  
   67    68    74    86    87    88    89    90    91    92    96  
   68    74    86    90  
   74    86    90  
   70    71  
   71  
    0  
   75    76    77    78    79    80    81    82    83    84    85    73  
   75    76    77    78    82  
   86    87    88    89    90    91    92    93    94    95    96    97    98    99  
   76    77    78    79    80    81    82    83    84    85  
   77    78    82  
   78    82  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89    90    91    92    96  
   88    89    90  
   89    90  
   90  
   91    92    93    94    95    96    97    98    99   100   101  
   92    93    94    95    96    97    98    99  
   93    94    95    96    97    98    99  
   94    95    96  
   95    96  
   96  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   268.000  1.529
   33    62   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    47   320.000  1.410
   46    52   317.000  1.510
   46    74   268.000  1.529
   46    53   268.000  1.529
   52    60   549.000  1.340
   52    62   317.000  1.510
   60    61   340.000  1.080
   60    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    86   268.000  1.529
   74    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    96   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   317.000  1.522
   99   100   656.000  1.250
   99   101   656.000  1.250
   62    63   340.000  1.090
   62    69   317.000  1.522
   69    70   656.000  1.250
   69    71   656.000  1.250
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    49   268.000  1.529
   45    75   268.000  1.529
   45    73   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    72   268.000  1.529
   64    73   320.000  1.410
   72    75   268.000  1.529
   72    78   268.000  1.529
   72    82   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
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  111.63000
   29    33    62    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    62    52    70.00000  112.02700
   33    62    63    37.50000  110.70000
   33    62    69    70.00000  109.69300
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   37    43    44    37.50000  110.70000
   37    43    46    58.35000  112.70000
   37    43    47    50.00000  109.50000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    46    52    70.00000  112.02700
   43    46    74    58.35000  112.70000
   43    46    53    58.35000  112.70000
   43    47    48    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    52    60    70.00000  124.00000
   46    52    62    65.00000  117.92700
   46    74    66    58.35000  112.70000
   46    74    86    58.35000  112.70000
   46    74    90    58.35000  112.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   52    60    61    35.00000  120.00000
   52    60    66    70.00000  124.00000
   52    62    63    35.00000  109.50000
   52    62    69    65.00000  111.94000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    74    70.00000  112.02700
   66    60    61    35.00000  117.00000
   66    74    86    58.35000  112.70000
   66    74    90    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    46    52    70.00000  112.02700
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    86    87    37.50000  110.70000
   74    86    88    37.50000  110.70000
   74    86    89    37.50000  110.70000
   74    90    91    37.50000  110.70000
   74    90    92    58.35000  112.70000
   74    90    96    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    74    86    58.35000  112.70000
   90    92    93    37.50000  110.70000
   90    92    94    37.50000  110.70000
   90    92    95    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    37.50000  110.70000
   90    96    99    70.00000  109.69300
   92    90    91    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    90    91    37.50000  110.70000
   96    90    92    58.35000  112.70000
   96    99   100    70.00000  117.00000
   96    99   101    70.00000  117.00000
   98    96    97    33.00000  107.80000
   99    96    97    35.00000  109.50000
   99    96    98    35.00000  109.50000
  101    99   100    80.00000  126.00000
   62    33    37    58.35000  112.70000
   62    52    60    70.00000  124.00000
   62    69    70    70.00000  117.00000
   62    69    71    70.00000  117.00000
   69    62    63    35.00000  109.50000
   71    69    70    80.00000  126.00000
   53    46    52    70.00000  112.02700
   53    46    74    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    46    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    62    58.35000  112.70000
   40    45    49    58.35000  112.70000
   40    45    75    58.35000  112.70000
   40    45    73    50.00000  109.50000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    57    58.35000  112.70000
   45    75    72    58.35000  112.70000
   45    75    76    37.50000  110.70000
   45    75    77    37.50000  110.70000
   45    73    64    60.00000  109.50000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    51    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    72    58.35000  112.70000
   57    64    73    50.00000  109.50000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    72    75    58.35000  112.70000
   64    72    78    58.35000  112.70000
   64    72    82    58.35000  112.70000
   72    64    65    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   72    82    83    37.50000  110.70000
   72    82    84    37.50000  110.70000
   72    82    85    37.50000  110.70000
   75    45    49    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    72    75    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    72    75    58.35000  112.70000
   82    72    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   73    45    49    50.00000  109.50000
   73    45    75    50.00000  109.50000
   73    64    65    35.00000  109.50000
   73    64    72    50.00000  109.50000
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
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   75    45   -73    64   0.28050  1.0 3.0
   75    72    78    79   0.15000  1.0 3.0
   75    72    78    80   0.15000  1.0 3.0
   75    72    78    81   0.15000  1.0 3.0
   75    72    82    83   0.15000  1.0 3.0
   75    72    82    84   0.15000  1.0 3.0
   75    72    82    85   0.15000  1.0 3.0
   78    72    75    45   0.56750  1.0 1.0
   78    72    75    45  -0.07550 -1.0 2.0
   78    72    75    45   0.20000  1.0 3.0
   78    72    75    76   0.15000  1.0 3.0
   78    72    75    77   0.15000  1.0 3.0
   78    72    82    83   0.15000  1.0 3.0
   78    72    82    84   0.15000  1.0 3.0
   78    72    82    85   0.15000  1.0 3.0
   82    72    75    45   0.56750  1.0 1.0
   82    72    75    45  -0.07550 -1.0 2.0
   82    72    75    45   0.20000  1.0 3.0
   82    72    75    76   0.15000  1.0 3.0
   82    72    75    77   0.15000  1.0 3.0
   82    72    78    79   0.15000  1.0 3.0
   82    72    78    80   0.15000  1.0 3.0
   82    72    78    81   0.15000  1.0 3.0
   73    45    49    50   0.23400  1.0 3.0
   73    45    49    51   0.23400  1.0 3.0
   73    45   -49    57   0.62750  1.0 1.0
   73    45   -49    57  -0.30950 -1.0 2.0
   73    45   -49    57   0.27300  1.0 3.0
   73    45   -75    72   0.62750  1.0 1.0
   73    45   -75    72  -0.30950 -1.0 2.0
   73    45   -75    72   0.27300  1.0 3.0
   73    45    75    76   0.23400  1.0 3.0
   73    45    75    77   0.23400  1.0 3.0
   73    64   -72    75   0.62750  1.0 1.0
   73    64   -72    75  -0.30950 -1.0 2.0
   73    64   -72    75   0.27300  1.0 3.0
   73    64    72    78   0.62750  1.0 1.0
   73    64    72    78  -0.30950 -1.0 2.0
   73    64    72    78   0.27300  1.0 3.0
   73    64    72    82   0.62750  1.0 1.0
   73    64    72    82  -0.30950 -1.0 2.0
   73    64    72    82   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   46    62    52    60   1.10000 -1.0 2.0
   66    61    60    52   1.10000 -1.0 2.0
  100    96    99   101  10.50000 -1.0 2.0
   70    62    69    71  10.50000 -1.0 2.0
END
