* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    166    265     487
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02088    33.49912  -179.77883
    3     1 S   H    _H1_     3     1.02124    94.27476   -61.78615
    4     1 S   H    _H2_     4     1.02041    85.99091    46.68923
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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     1.80605    98.11764   -78.20712
   34    33 S   HC   _H25    37     1.09371   108.78090   -58.81014
   35    33 S   HC   _H26    38     1.09398   108.75928    58.80344
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C16    39     1.51869   110.55216   179.96574
   40    39 S   HC   _H5_    40     1.10469   108.43621   -55.03659
   41    39 S   CT   _C15    41     1.52238   113.55373  -179.62780
   42    41 S   HC   _H4_    42     1.12572   111.71219   -33.44160
   43    41 S   CT   _C18    43     1.51989   102.34075  -151.73534
   44    43 S   HC   _H7_    44     1.06379   111.66014   156.58276
   45    41 S   N    _N5_    64     1.43427   113.44941    84.87047
   46    45 S   H    _H19    65     1.01532   118.31240    27.84096
   47    43 S   CO   _C17    45     1.52554   102.30791    35.33448
   48    47 S   HC   _H6_    46     1.09416   111.71008  -145.53302
   49    43 S   OH   _O37    62     1.42846   111.28617   -80.77759
   50    49 S   HO   _H20    63     0.97263   107.11646   179.96574
   51    45 S   C    _C14    66     1.38703   123.25335  -152.11590
   52    51 S   O    _O35    67     1.22893   125.05377    -0.11014
   53    47 S   N*   _N6_    47     1.47169   108.69856    98.14178
   54    39 S   OS   _O36    61     1.43873   109.29115    62.08223
   55    51 S   CT1  _C6_    68     1.52475   111.90011  -177.70578
   56    55 S   HC   _H3_    69     1.09560   109.11305    -2.24280
   57    53 S   CRAB _C19    48     1.54964   123.45756   -89.94706
   58    57 S   HA   _H21    49     1.09963   123.89481    -0.00000
   59    55 S   CT   _C7_    70     1.53249   110.33350  -124.85387
   60    59 S   HC   _H12    71     1.09846   110.27926   -41.60127
   61    59 S   HC   _H13    72     1.09757   110.48602  -157.50115
   62    55 S   N    _N4_    85     1.44150   107.19527   112.74991
   63    62 S   H    _H11    86     1.01736   118.37540    93.30723
   64    57 S   NNA  _N7_    50     1.29695   111.44546  -180.00000
   65    59 S   CA   _C8_    73     1.50984   112.71715    81.28521
   66    62 S   C    _C5_    87     1.38371   123.30389   -86.72396
   67    66 S   O    _O33    88     1.22582   126.26923    -0.03956
   68    64 S   C56B _C20    51     1.38257   104.07857    -0.01978
   69    65 S   CA   _C9_    74     1.39473   120.00666   -90.03545
   70    69 S   HA   _H14    75     1.08694   120.51961     0.01978
   71    66 S   CT   _C4_    89     1.49250   114.19971   179.93744
   72    71 S   HC   _H8_    90     1.10215   112.43612    89.97213
   73    71 S   HC   _H9_    91     1.10168   112.45825  -151.34702
   74    71 S   HC   _H10    92     1.10198   115.32360   -30.68237
   75    68 S   CA   _C21    52     1.34455   130.13966  -179.96574
   76    69 S   CA   _C10    76     1.39510   120.01939  -179.96044
   77    76 S   HA   _H15    77     1.08680   119.64537   179.97202
   78    75 S   NB   _N8_    53     1.39131   118.28417  -179.97202
   79    75 S   NND  _N10    58     1.37431   120.02316     0.03426
   80    79 S   H    _H23    59     0.99191   118.08765    -0.01978
   81    79 S   H    _H24    60     0.99152   118.16535  -180.00000
   82    76 S   CA   _C11    78     1.39494   119.97413    -0.02798
   83    78 S   CQ   _C22    54     1.30261   120.44715    -0.01978
   84    83 S   HA   _H22    55     1.10112   118.63007   180.00000
   85    82 S   CA   _C12    79     1.39473   120.00649     0.02798
   86    85 S   HA   _H16    80     1.08647   120.33331   179.95577
   87    82 S   OH   _O34    83     1.36079   119.97705   179.93744
   88    87 S   HO   _H18    84     0.96980   110.30075  -179.97202
   89    83 S   NB   _N9_    56     1.33472   129.95273     0.01978
   90    65 S   CA   _C13    81     1.39451   120.01602    90.00288
   91    90 S   HA   _H17    82     1.08720   120.46205    -0.02798
   92    53 S   C56A _C23    57     1.23441   130.92572    90.11250
  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   7   5   4   3
  10   5   4   2   1   1  13   6  14   8  12   7  10   3  11   5
   3   1  10   4   9   2  12   7   6   3  12   5   4   8   3   6
   9   5   4   8   8   4   3   2   1   1   8   7   3   7   4   1
   1   6   3   2   5   3   2   1   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    53    54    49    45    46    51  
   41    42    43    47    54    45  
   42    43    44    47    48    53    54    49    50    45    46    51    52    55  
   43    44    47    54    49    45    46    51  
   44    47    48    53    57    92    54    49    50    45    46    51  
   47    48    53    54    49    50    45  
   46    51    52    55    56    59    62    47    49    54  
   51    52    55  
   48    53    57    58    64    68    89    92    54    49    50  
   53    57    92    54    49  
   50    53    54  
    0  
   52    55    56    59    60    61    65    62    63    66  
   55    56    59    62  
   57    58    64    68    75    83    89    92    54  
   57    92  
   56    59    60    61    65    69    90    62    63    66    67    71  
   59    60    61    65    62    63    66  
   58    64    68    75    89    92  
   64    68    92  
   60    61    65    69    70    76    85    90    91    62    63    66  
   61    65    69    90    62  
   65    69    90    62  
   63    66    67    71    72    73    74    65  
   66    67    71  
   68    75    78    89    92    79  
   69    70    76    77    82    85    86    90    91  
   67    71    72    73    74  
   71    72    73    74  
   75    78    83    89    92    79    80    81  
   70    76    77    82    85    90    91    87  
   76    77    82    90  
   72    73    74  
   73    74  
   74  
    0  
   78    83    84    89    92    79    80    81  
   77    82    85    86    90    87    88  
   82    85    87  
   83    84    89    92    79    80    81  
   80    81    83    92  
   81  
    0  
   85    86    90    91    87    88  
   84    89    92  
   89    92  
   86    90    91    87    88  
   90    91    87  
   88    90  
    0  
   92  
   91  
    0  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   79   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   80   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   81   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    54   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   337.000  1.449
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    53   275.000  1.479
   47    54   320.000  1.380
   53    57   440.000  1.371
   53    92   436.000  1.374
   57    58   367.000  1.080
   57    64   529.000  1.304
   64    68   414.000  1.391
   68    75   469.000  1.404
   68    92   447.000  1.419
   75    78   483.000  1.339
   75    79   481.000  1.340
   78    83   502.000  1.324
   83    84   367.000  1.080
   83    89   502.000  1.324
   89    92   461.000  1.354
   79    80   434.000  1.010
   79    81   434.000  1.010
   49    50   553.000  0.945
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   337.000  1.449
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   317.000  1.510
   65    69   469.000  1.400
   65    90   469.000  1.400
   69    70   367.000  1.080
   69    76   469.000  1.400
   76    77   367.000  1.080
   76    82   469.000  1.400
   82    85   469.000  1.400
   82    87   450.000  1.364
   85    86   367.000  1.080
   85    90   469.000  1.400
   90    91   367.000  1.080
   87    88   553.000  0.945
   62    63   434.000  1.010
   62    66   490.000  1.335
   66    67   570.000  1.229
   66    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    54    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    70.00000  110.72300
   39    54    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    38.00000  118.40000
   41    45    51    50.00000  121.90000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    53    75.00000  107.44000
   43    47    54    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    53    57    70.00000  128.80000
   47    53    92    70.00000  125.80000
   53    47    48    55.00000  103.44000
   53    57    58    35.00000  123.05000
   53    57    64    70.00000  113.90000
   53    92    68    70.00000  106.20000
   53    92    89    70.00000  126.20000
   57    64    68    70.00000  103.80000
   64    57    58    35.00000  123.05000
   64    68    75    70.00000  132.40000
   64    68    92    70.00000  110.40000
   68    75    78    70.00000  117.30000
   68    75    79    70.00000  123.50000
   68    92    89    70.00000  127.70000
   75    78    83    70.00000  118.60000
   75    79    80    35.00000  120.00000
   75    79    81    35.00000  120.00000
   78    83    84    35.00000  115.45000
   78    83    89    70.00000  129.10000
   83    89    92    70.00000  111.00000
   89    83    84    35.00000  115.45000
   92    53    57    70.00000  105.40000
   92    68    75    85.00000  116.20000
   79    75    78    70.00000  119.30000
   81    79    80    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    53   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    70.00000  110.72300
   45    51    52    80.00000  122.90000
   45    51    55    70.00000  116.60000
   51    45    46    35.00000  119.80000
   51    55    56    35.00000  109.50000
   51    55    59    63.00000  111.10000
   51    55    62    63.00000  110.10000
   55    51    52    80.00000  120.40000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    65    63.00000  114.00000
   55    62    63    38.00000  118.40000
   55    62    66    50.00000  121.90000
   59    55    56    37.50000  110.70000
   59    65    69    70.00000  120.00000
   59    65    90    70.00000  120.00000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    69    70    35.00000  120.00000
   65    69    76    63.00000  120.00000
   65    90    85    63.00000  120.00000
   65    90    91    35.00000  120.00000
   69    76    77    35.00000  120.00000
   69    76    82    63.00000  120.00000
   76    69    70    35.00000  120.00000
   76    82    85    63.00000  120.00000
   76    82    87    70.00000  120.00000
   82    76    77    35.00000  120.00000
   82    85    86    35.00000  120.00000
   82    85    90    63.00000  120.00000
   82    87    88    35.00000  113.00000
   85    90    91    35.00000  120.00000
   90    65    69    63.00000  120.00000
   90    85    86    35.00000  120.00000
   87    82    85    70.00000  120.00000
   62    55    56    35.00000  109.50000
   62    55    59    80.00000  109.70000
   62    66    67    80.00000  122.90000
   62    66    71    70.00000  116.60000
   66    62    63    35.00000  119.80000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   71    66    67    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.43900  1.0 1.0
   33    39    41    45   0.49100 -1.0 2.0
   33    39    41    45   0.28400  1.0 3.0
   33    39    54    47   0.06250  1.0 1.0
   33    39    54    47  -0.01100 -1.0 2.0
   33    39    54    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    54   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46   0.00000  1.0 1.0
   39    41    45    51  -0.43950  1.0 1.0
   39    41    45    51  -0.08100 -1.0 2.0
   39    41    45    51   0.03350  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    54    47   0.37050  1.0 3.0
   41    39   -54    47   0.06250  1.0 1.0
   41    39   -54    47  -0.01100 -1.0 2.0
   41    39   -54    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53  -0.64600  1.0 1.0
   41    43    47    53   0.58400 -1.0 2.0
   41    43   -47    54   0.62750  1.0 1.0
   41    43   -47    54  -0.30950 -1.0 2.0
   41    43   -47    54   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    45    51    52   3.04450 -1.0 2.0
   41    45    51    55   1.15000  1.0 1.0
   41    45    51    55   3.04450 -1.0 2.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    51   0.00000  1.0 1.0
   43    41    45    46   0.00000  1.0 1.0
   43    41    45    51  -0.43950  1.0 1.0
   43    41    45    51  -0.08100 -1.0 2.0
   43    41    45    51   0.03350  1.0 3.0
   43    47    53    57   1.10250  1.0 1.0
   43    47    53    57   0.01650 -1.0 2.0
   43    47    53    57   0.39100  1.0 3.0
   43    47    53    92   1.10250  1.0 1.0
   43    47    53    92   0.01650 -1.0 2.0
   43    47    53    92   0.39100  1.0 3.0
   43    47   -54    39   0.06250  1.0 1.0
   43    47   -54    39  -0.01100 -1.0 2.0
   43    47   -54    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    53    57    58   3.62500 -1.0 2.0
   47    53    57    64   3.62500 -1.0 2.0
   47    53    92    68   0.81400  1.0 1.0
   47    53    92    68   1.55550 -1.0 2.0
   47    53    92    89   3.62500 -1.0 2.0
   48    47    53    57   0.00000  1.0 1.0
   48    47    53    92   0.00000  1.0 1.0
   48    47    54    39   0.37050  1.0 3.0
   53    47    54    39  -2.37750  1.0 1.0
   53    47    54    39  -0.08150 -1.0 2.0
   53    47    54    39   0.59000  1.0 3.0
   53    57   -64    68   3.62500 -1.0 2.0
   57    53   -92    68   0.70250  1.0 1.0
   57    53   -92    68   1.56150 -1.0 2.0
   57    53    92    89   3.62500 -1.0 2.0
   57    64    68    75   3.62500 -1.0 2.0
   57    64   -68    92   3.62500 -1.0 2.0
   58    57    64    68   3.62500 -1.0 2.0
   64    68    75    78   3.62500 -1.0 2.0
   64    68    75    79   3.62500 -1.0 2.0
   64    68   -92    53   3.62500 -1.0 2.0
   64    68    92    89   3.62500 -1.0 2.0
   68    75    78    83   3.62500 -1.0 2.0
   68    75    79    80   0.70000 -1.0 2.0
   68    75    79    81   0.70000 -1.0 2.0
   75    68    92    53   3.00000 -1.0 2.0
   75    68    92    89   3.62500 -1.0 2.0
   75    78    83    84   3.62500 -1.0 2.0
   75    78   -83    89   3.62500 -1.0 2.0
   78    75    79    80   0.70000 -1.0 2.0
   78    75    79    81   0.70000 -1.0 2.0
   78    83    89    92   3.62500 -1.0 2.0
   83    89    92    53   3.62500 -1.0 2.0
   83    89   -92    68   3.62500 -1.0 2.0
   84    83    89    92   3.62500 -1.0 2.0
   92    53    57    58   3.62500 -1.0 2.0
   92    53   -57    64   3.62500 -1.0 2.0
   92    68   -75    78   3.62500 -1.0 2.0
   92    68    75    79   3.62500 -1.0 2.0
   79    75    78    83   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   1.12100  1.0 1.0
   54    39    41    45  -0.16500 -1.0 2.0
   54    47    53    57   0.10350  1.0 1.0
   54    47    53    57  -0.15350 -1.0 2.0
   54    47    53    92   0.10350  1.0 1.0
   54    47    53    92  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    53   2.76900  1.0 1.0
   49    43    47    53  -0.24350 -1.0 2.0
   49    43    47    53  -0.78250  1.0 3.0
   49    43    47    54   3.69350  1.0 1.0
   49    43    47    54  -1.82950 -1.0 2.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    47  -0.27100  1.0 1.0
   45    41    43    47  -0.01700 -1.0 2.0
   45    41    43    47  -0.48600  1.0 3.0
   45    41    43    49   2.76900  1.0 1.0
   45    41    43    49  -0.24350 -1.0 2.0
   45    41    43    49  -0.78250  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    59   0.93250  1.0 1.0
   45    51    55    59   0.04450 -1.0 2.0
   45    51    55    59   0.17550  1.0 3.0
   45    51    55    62   0.37150  1.0 1.0
   45    51    55    62   1.25400 -1.0 2.0
   45    51    55    62  -0.40250  1.0 3.0
   46    45    51    52   2.45000 -1.0 2.0
   46    45    51    55   2.45000 -1.0 2.0
   51    55    59    60  -0.03800  1.0 3.0
   51    55    59    61  -0.03800  1.0 3.0
   51    55    59    65  -0.84850  1.0 1.0
   51    55    59    65  -0.22800 -1.0 2.0
   51    55    59    65   0.29250  1.0 3.0
   51    55    62    63   0.00000  1.0 1.0
   51    55    62    66  -0.29800  1.0 1.0
   51    55    62    66   0.13950 -1.0 2.0
   51    55    62    66  -2.45650  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   52    51    55    62   0.00000  1.0 1.0
   55    59    65    69   0.00000  1.0 1.0
   55    59    65    90   0.00000  1.0 1.0
   55    62    66    67   3.04450 -1.0 2.0
   55    62    66    71   1.15000  1.0 1.0
   55    62    66    71   3.04450 -1.0 2.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    65   0.23100  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    66   0.00000  1.0 1.0
   59    55    62    63   0.00000  1.0 1.0
   59    55    62    66   0.25950  1.0 1.0
   59    55    62    66   0.43850 -1.0 2.0
   59    55    62    66   2.61650  1.0 3.0
   59    65    69    70   3.62500 -1.0 2.0
   59    65    69    76   3.62500 -1.0 2.0
   59    65    90    85   3.62500 -1.0 2.0
   59    65    90    91   3.62500 -1.0 2.0
   60    59    65    69   0.00000  1.0 1.0
   60    59    65    90   0.00000  1.0 1.0
   61    59    65    69   0.00000  1.0 1.0
   61    59    65    90   0.00000  1.0 1.0
   65    69    76    77   3.62500 -1.0 2.0
   65    69    76    82   3.62500 -1.0 2.0
   69    65    90    85   3.62500 -1.0 2.0
   69    65    90    91   3.62500 -1.0 2.0
   69    76   -82    85   3.62500 -1.0 2.0
   69    76    82    87   3.62500 -1.0 2.0
   70    69    76    77   3.62500 -1.0 2.0
   70    69    76    82   3.62500 -1.0 2.0
   76    82    85    86   3.62500 -1.0 2.0
   76    82    85    90   3.62500 -1.0 2.0
   76    82    87    88   0.84100 -1.0 2.0
   77    76    82    85   3.62500 -1.0 2.0
   77    76    82    87   3.62500 -1.0 2.0
   82    85   -90    65   3.62500 -1.0 2.0
   82    85    90    91   3.62500 -1.0 2.0
   85    82    87    88   0.84100 -1.0 2.0
   86    85    90    65   3.62500 -1.0 2.0
   86    85    90    91   3.62500 -1.0 2.0
   90    65    69    70   3.62500 -1.0 2.0
   90    65   -69    76   3.62500 -1.0 2.0
   87    82    85    86   3.62500 -1.0 2.0
   87    82    85    90   3.62500 -1.0 2.0
   62    55    59    60   0.23200  1.0 3.0
   62    55    59    61   0.23200  1.0 3.0
   62    55    59    65   0.42250  1.0 1.0
   62    55    59    65  -0.48100 -1.0 2.0
   62    55    59    65   0.35650  1.0 3.0
   62    66    71    72   0.00000  1.0 1.0
   62    66    71    73   0.00000  1.0 1.0
   62    66    71    74   0.00000  1.0 1.0
   63    62    66    67   2.45000 -1.0 2.0
   63    62    66    71   2.45000 -1.0 2.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   67    66    71    74   0.00000  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   57    92    53    47   4.00000 -1.0 2.0
   64    58    57    53   1.10000 -1.0 2.0
   75    92    68    64   4.00000 -1.0 2.0
   78    79    75    68   4.00000 -1.0 2.0
   89    84    83    78   1.10000 -1.0 2.0
   68    89    92    53   4.00000 -1.0 2.0
   81    75    79    80   1.00000 -1.0 2.0
   46    51    45    41   1.00000 -1.0 2.0
   45    55    51    52  10.50000 -1.0 2.0
   69    90    65    59   4.00000 -1.0 2.0
   76    70    69    65   1.10000 -1.0 2.0
   82    77    76    69   1.10000 -1.0 2.0
   85    87    82    76   4.00000 -1.0 2.0
   90    86    85    82   1.10000 -1.0 2.0
   85    91    90    65   1.10000 -1.0 2.0
   63    66    62    55   1.00000 -1.0 2.0
   62    71    66    67  10.50000 -1.0 2.0
END
