* LIGAND DATABASE FILE (OPLS2005)
*
001      94    93    165    233     475
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063   104.13794   -35.82389
    3     1 S   H    _H1_     3     1.02045    69.34425    69.15243
    4     1 S   H    _H2_     4     1.02145    43.78156  -138.22701
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.84744   101.19636   179.97202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C23    37     1.53973   110.84997  -159.99611
   38    37 S   HC   _H23    38     1.09823   110.50721  -174.97375
   39    37 S   HC   _H24    39     1.09852   111.50259   -57.08747
   40    33 S   OH   _O41    88     1.42539   112.86828   -37.05575
   41    40 S   HO   _H25    89     0.97140   107.07535   176.24829
   42    33 S   S    _S1_    90     1.85894   108.05644    84.45638
   43    37 S   CO4  _C22    40     1.52276   115.16110    64.96619
   44    43 S   O    _O40    41     1.23131   120.52920    34.53372
   45    42 S   CT   _C25    91     1.81278   100.54227  -161.23272
   46    45 S   HC   _H26    92     1.09284   109.95048   179.97202
   47    45 S   HC   _H27    93     1.09311   109.83839    60.07107
   48    45 S   HC   _H28    94     1.09236   109.85666   -59.95504
   49    43 S   CT   _C21    42     1.51611   117.18591  -147.46342
   50    49 S   HC   _H21    43     1.09347   107.67704  -150.00304
   51    49 S   HC   _H22    44     1.09500   108.47550   -32.10726
   52    49 S   CO4  _C20    45     1.51493   116.16634    88.29555
   53    52 S   O    _O39    46     1.23049   122.99102     1.09217
   54    52 S   CT   _C19    47     1.51187   116.32465  -178.68210
   55    54 S   HC   _H19    48     1.09381   108.19196   -60.03297
   56    54 S   HC   _H20    49     1.09444   108.21221    56.72250
   57    54 S   CO4  _C18    50     1.51224   114.47319   177.87855
   58    57 S   O    _O38    51     1.23038   122.25483    89.71222
   59    57 S   CT   _C17    52     1.51253   116.65623   -88.53922
   60    59 S   HC   _H17    53     1.09467   108.27345   -59.98636
   61    59 S   HC   _H18    54     1.09480   108.00568    56.55855
   62    59 S   CO4  _C16    55     1.51326   114.60518   179.05333
   63    62 S   O    _O37    56     1.23043   122.43573    31.82024
   64    62 S   CT   _C15    57     1.51111   116.67217  -149.01780
   65    64 S   HC   _H15    58     1.09514   108.69908   -29.98067
   66    64 S   HC   _H16    59     1.09498   109.59467  -145.92712
   67    64 S   CO4  _C14    60     1.51064   113.60647    91.98264
   68    67 S   O    _O36    61     1.23140   120.76709    -1.74383
   69    67 S   CT   _C13    62     1.52732   117.11454   178.36661
   70    69 S   HC   _H13    63     1.09864   108.02545   -30.00603
   71    69 S   HC   _H14    64     1.09867   108.58607  -143.53583
   72    69 S   CMA  _C12    65     1.52585   111.44676    94.75612
   73    72 S   OM   _O42    66     1.26288   111.60776   -93.48901
   74    72 S   CM   _C11    67     1.35099   116.05270    88.07706
   75    74 S   HC   _H12    68     1.08645   120.08928    -0.35054
   76    74 S   CO4  _C10    69     1.49705   124.31622   179.50941
   77    76 S   O    _O35    70     1.22865   122.23432    -0.26319
   78    76 S   CT   _C9_    71     1.51511   116.55766  -179.96044
   79    78 S   HC   _H10    72     1.09509   107.25858    90.02575
   80    78 S   HC   _H11    73     1.09451   110.41037   -27.48113
   81    78 S   CO4  _C8_    74     1.51701   114.69431  -149.12670
   82    81 S   O    _O34    75     1.23017   121.79908    32.14977
   83    81 S   CT   _C7_    76     1.51616   115.51226  -149.99247
   84    83 S   HC   _H8_    77     1.09502   108.35924    60.04532
   85    83 S   HC   _H9_    78     1.09459   107.06530   -57.63689
   86    83 S   CO4  _C6_    79     1.51741   116.84871  -178.89890
   87    86 S   O    _O33    80     1.22925   122.48162    -3.09946
   88    86 S   CT   _C5_    81     1.52018   115.49848   178.30269
   89    88 S   HC   _H6_    82     1.09505   108.14228    59.96660
   90    88 S   HC   _H7_    83     1.09548   108.11340   -57.49470
   91    88 S   CT   _C4_    84     1.51711   112.78591  -179.08251
   92    91 S   HC   _H3_    85     1.09486   110.98980    59.71219
   93    91 S   HC   _H4_    86     1.09482   111.22583   179.64118
   94    91 S   HC   _H5_    87     1.09480   110.39821   -60.31005
  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
  13   2   1   1  12   6   5   4   1   5   7   4   3   2   1   1
   8   4   3   7   4   8   4   3   7   4   8   4   3   7   4   8
   4   3   7   4   7   4   3   6   3   7   3   7   4   8   4   3
   7   4   8   4   3   8   4   6   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    49    40    41    42    45    46    47    48  
   35    36  
   36  
    0  
   38    39    43    44    49    50    51    52    40    41    42    45  
   39    43    44    49    40    42  
   43    44    49    40    42  
   41    42    45    43  
   42  
   45    46    47    48    43  
   44    49    50    51    52    53    54  
   49    50    51    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    57  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    59  
   54    55    56    57  
   55    56    57    58    59    60    61    62  
   56    57    58    59  
   57    58    59  
   58    59    60    61    62    63    64  
   59    60    61    62  
   60    61    62    63    64    65    66    67  
   61    62    63    64  
   62    63    64  
   63    64    65    66    67    68    69  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72    73    74    75    76  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78    79    80    81    82    83  
   78    79    80    81  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86    87    88  
   83    84    85    86  
   84    85    86    87    88    89    90    91  
   85    86    87    88  
   86    87    88  
   87    88    89    90    91    92    93    94  
   88    89    90    91  
   89    90    91    92    93    94  
   90    91    92    93    94  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    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   0.600000   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   73   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    40   320.000  1.410
   33    42   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.522
   52    53   570.000  1.229
   52    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   317.000  1.522
   57    58   570.000  1.229
   57    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.522
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.522
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   270.000  1.512
   72    73   745.000  1.250
   72    74   465.000  1.376
   74    75   340.000  1.080
   74    76   320.000  1.462
   76    77   570.000  1.229
   76    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.522
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   317.000  1.522
   86    87   570.000  1.229
   86    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   40    41   553.000  0.945
   42    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    40    85.00000  114.68000
   29    33    42    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    55.00000  108.50000
   33    42    45    62.00000   98.90000
   37    43    44    80.00000  120.40000
   37    43    49    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    75.00000  107.99600
   49    43    44    80.00000  120.40000
   49    52    53    80.00000  120.40000
   49    52    54    70.00000  116.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    75.00000  107.99600
   54    52    53    80.00000  120.40000
   54    57    58    80.00000  120.40000
   54    57    59    70.00000  116.00000
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    75.00000  107.99600
   59    57    58    80.00000  120.40000
   59    62    63    80.00000  120.40000
   59    62    64    70.00000  116.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    75.00000  107.99600
   64    62    63    80.00000  120.40000
   64    67    68    80.00000  120.40000
   64    67    69    70.00000  116.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    70.00000  109.06800
   69    67    68    80.00000  120.40000
   69    72    73    85.00000  112.85300
   69    72    74    65.00000  122.18000
   71    69    70    33.00000  107.80000
   72    69    70    45.00000  110.52000
   72    69    71    45.00000  110.52000
   72    74    75    40.00000  120.50800
   72    74    76    60.00000  125.92000
   74    72    73    65.00000  137.10300
   74    76    77    80.00000  123.72100
   74    76    78    65.00000  118.62400
   76    74    75    40.00000  117.72500
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    75.00000  107.99600
   78    76    77    80.00000  120.40000
   78    81    82    80.00000  120.40000
   78    81    83    70.00000  116.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    75.00000  107.99600
   83    81    82    80.00000  120.40000
   83    86    87    80.00000  120.40000
   83    86    88    70.00000  116.00000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   86    88    89    35.00000  109.50000
   86    88    90    35.00000  109.50000
   86    88    91    63.00000  111.10000
   88    86    87    80.00000  120.40000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   40    33    37    50.00000  109.50000
   42    33    37    75.00000  111.63000
   42    33    40    85.00000  114.68000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   29    33    42    45   0.08500  1.0 1.0
   29    33    42    45  -0.53150 -1.0 2.0
   29    33    42    45   0.48050  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    49   0.60050  1.0 1.0
   33    37    43    49   0.05600 -1.0 2.0
   33    37    43    49   0.26150  1.0 3.0
   33    42    45    46   0.32350  1.0 3.0
   33    42    45    47   0.32350  1.0 3.0
   33    42    45    48   0.32350  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    33    42    45   0.01700  1.0 1.0
   37    33    42    45  -0.23550 -1.0 2.0
   37    33    42    45   0.21350  1.0 3.0
   37    43    49    50   0.00000  1.0 1.0
   37    43    49    51   0.00000  1.0 1.0
   37    43    49    52   0.65300  1.0 1.0
   37    43    49    52  -0.03850 -1.0 2.0
   37    43    49    52   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    49   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    49   0.00000  1.0 1.0
   43    49    52    53   0.30150 -1.0 2.0
   43    49    52    54   0.65300  1.0 1.0
   43    49    52    54  -0.03850 -1.0 2.0
   43    49    52    54   0.33900  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    52   0.30150 -1.0 2.0
   49    52    54    55   0.00000  1.0 1.0
   49    52    54    56   0.00000  1.0 1.0
   49    52    54    57   0.65300  1.0 1.0
   49    52    54    57  -0.03850 -1.0 2.0
   49    52    54    57   0.33900  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    57    58   0.30150 -1.0 2.0
   52    54    57    59   0.65300  1.0 1.0
   52    54    57    59  -0.03850 -1.0 2.0
   52    54    57    59   0.33900  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.30150 -1.0 2.0
   54    57    59    60   0.00000  1.0 1.0
   54    57    59    61   0.00000  1.0 1.0
   54    57    59    62   0.65300  1.0 1.0
   54    57    59    62  -0.03850 -1.0 2.0
   54    57    59    62   0.33900  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   56    54    57    58   0.00000  1.0 1.0
   56    54    57    59   0.00000  1.0 1.0
   57    59    62    63   0.30150 -1.0 2.0
   57    59    62    64   0.65300  1.0 1.0
   57    59    62    64  -0.03850 -1.0 2.0
   57    59    62    64   0.33900  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    62   0.30150 -1.0 2.0
   59    62    64    65   0.00000  1.0 1.0
   59    62    64    66   0.00000  1.0 1.0
   59    62    64    67   0.65300  1.0 1.0
   59    62    64    67  -0.03850 -1.0 2.0
   59    62    64    67   0.33900  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    67    68   0.30150 -1.0 2.0
   62    64    67    69   0.65300  1.0 1.0
   62    64    67    69  -0.03850 -1.0 2.0
   62    64    67    69   0.33900  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    67   0.30150 -1.0 2.0
   64    67    69    70   0.00000  1.0 1.0
   64    67    69    71   0.00000  1.0 1.0
   64    67    69    72   0.65300  1.0 1.0
   64    67    69    72  -0.03850 -1.0 2.0
   64    67    69    72   0.33900  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    69   0.00000  1.0 1.0
   67    69    72    73   0.09700  1.0 1.0
   67    69    72    73   0.15600 -1.0 2.0
   67    69    72    73  -0.50800  1.0 3.0
   67    69    72    74  -0.51250  1.0 1.0
   67    69    72    74  -0.88800 -1.0 2.0
   67    69    72    74   0.08850  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.30150 -1.0 2.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    76   7.00000 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    76    77   1.00000 -1.0 2.0
   72    74    76    78  -0.33500  1.0 1.0
   72    74    76    78   1.06600 -1.0 2.0
   72    74    76    78  -0.14000  1.0 3.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   74    76    78    79   0.00000  1.0 1.0
   74    76    78    80   0.00000  1.0 1.0
   74    76    78    81   0.65300  1.0 1.0
   74    76    78    81  -0.03850 -1.0 2.0
   74    76    78    81   0.33900  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.04550  1.0 1.0
   75    74    76    78   0.83000 -1.0 2.0
   75    74    76    78  -0.04000  1.0 3.0
   76    78    81    82   0.30150 -1.0 2.0
   76    78    81    83   0.65300  1.0 1.0
   76    78    81    83  -0.03850 -1.0 2.0
   76    78    81    83   0.33900  1.0 3.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    81   0.30150 -1.0 2.0
   78    81    83    84   0.00000  1.0 1.0
   78    81    83    85   0.00000  1.0 1.0
   78    81    83    86   0.65300  1.0 1.0
   78    81    83    86  -0.03850 -1.0 2.0
   78    81    83    86   0.33900  1.0 3.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   80    78    81    83   0.00000  1.0 1.0
   81    83    86    87   0.30150 -1.0 2.0
   81    83    86    88   0.65300  1.0 1.0
   81    83    86    88  -0.03850 -1.0 2.0
   81    83    86    88   0.33900  1.0 3.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   0.00000  1.0 1.0
   82    81    83    86   0.30150 -1.0 2.0
   83    86    88    89   0.00000  1.0 1.0
   83    86    88    90   0.00000  1.0 1.0
   83    86    88    91   0.60050  1.0 1.0
   83    86    88    91   0.05600 -1.0 2.0
   83    86    88    91   0.26150  1.0 3.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   85    83    86    87   0.00000  1.0 1.0
   85    83    86    88   0.00000  1.0 1.0
   86    88    91    92  -0.11250  1.0 3.0
   86    88    91    93  -0.11250  1.0 3.0
   86    88    91    94  -0.11250  1.0 3.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   0.00000  1.0 1.0
   87    86    88    91   0.30150 -1.0 2.0
   89    88    91    92   0.15000  1.0 3.0
   89    88    91    93   0.15000  1.0 3.0
   89    88    91    94   0.15000  1.0 3.0
   90    88    91    92   0.15000  1.0 3.0
   90    88    91    93   0.15000  1.0 3.0
   90    88    91    94   0.15000  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    43  -0.09450  1.0 1.0
   40    33    37    43  -1.12950 -1.0 2.0
   40    33    37    43   0.54000  1.0 3.0
   40    33    42    45   0.13850  1.0 1.0
   40    33    42    45  -1.34450 -1.0 2.0
   40    33    42    45   0.57400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    43   0.56750  1.0 1.0
   42    33    37    43  -0.07550 -1.0 2.0
   42    33    37    43   0.20000  1.0 3.0
   42    33    40    41   0.35600  1.0 1.0
   42    33    40    41  -0.10750 -1.0 2.0
   42    33    40    41  -0.54400  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
   37    49    43    44  10.50000 -1.0 2.0
   49    54    52    53  10.50000 -1.0 2.0
   54    59    57    58  10.50000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
   64    69    67    68  10.50000 -1.0 2.0
   69    73    72    74  15.00000 -1.0 2.0
   76    75    74    72  15.00000 -1.0 2.0
   74    78    76    77  10.50000 -1.0 2.0
   78    83    81    82  10.50000 -1.0 2.0
   83    88    86    87  10.50000 -1.0 2.0
END
