* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    147    233     423
    1     0 S   NP   _N1_     1    28.75326    94.21211   -23.26679
    2     1 S   H    _HN1     2     1.02845    26.87163   171.20610
    3     1 S   H    _H1_     3     1.02787   103.90913   -86.76362
    4     1 S   H    _H2_     4     1.02922    83.61775    20.56971
    5     1 S   CT   _CA1     5     1.50071   133.31392   132.97668
    6     5 S   HC   _HA1     6     1.09583   105.18480    76.12963
    7     5 S   CO3  _C1_     7     1.53782   112.44306   -44.00345
    8     7 S   O2Z  _O11     8     1.26334   115.04510   -46.15984
    9     7 S   O2Z  _O12     9     1.26228   114.90379   133.11289
   10     5 S   CT   _CB1    10     1.53116   107.56492  -166.07665
   11    10 S   HC   HB11    11     1.09820   109.39676   -51.48747
   12    10 S   HC   HB12    12     1.09730   110.54121    65.10247
   13    10 S   CT   _CG1    13     1.52966   112.48357  -172.51921
   14    13 S   HC   HG11    14     1.09600   110.51277   -64.06542
   15    13 S   HC   HG12    15     1.09664   109.84282    55.09285
   16    13 S   C    _CD1    16     1.51770   112.46381   175.68521
   17    16 S   O    _OE1    17     1.22715   123.31950     4.01444
   18    16 S   N    _N2_    18     1.38656   111.50441  -176.30870
   19    18 S   H    _HN2    19     1.01597   119.02660     0.03426
   20    18 S   CT1  _CA2    20     1.46107   123.39325   179.76593
   21    20 S   HC   _HA2    21     1.09584   109.08054   -14.54051
   22    20 S   C    _C2_    22     1.53465   108.55756  -129.67912
   23    22 S   O    _O2_    23     1.23016   122.16945  -147.82181
   24    20 S   CT   _CB2    32     1.53381   111.61532   107.99899
   25    24 S   HC   HB21    33     1.09649   109.63580    57.55101
   26    24 S   HC   HB22    34     1.09551   111.24252   175.18590
   27    22 S   N    _N3_    24     1.38489   113.38735    39.75498
   28    27 S   H    _HN3    25     1.01529   118.89829    -1.02965
   29    24 S   S    _SG2    35     1.82759   113.95741   -62.16008
   30    27 S   CT   _CA3    26     1.45461   123.61491   174.74215
   31    30 S   HC   HA31    27     1.09508   109.43605    20.39169
   32    30 S   HC   HA32    28     1.09497   107.08271   137.46580
   33    29 S   CT   _C14    36     1.82883    99.51495   -74.61489
   34    33 S   HC   _H16    37     1.09565   107.09593   -60.05506
   35    33 S   HC   _H17    38     1.09428   108.70911    56.91379
   36    30 S   CO3  _C3_    29     1.52923   112.94683  -103.19250
   37    36 S   O2Z  _O31    30     1.26417   115.35832   -44.69414
   38    36 S   O2Z  _O32    31     1.26343   115.00536   136.15660
   39    33 S   CT   _C13    39     1.53938   111.69485   179.02401
   40    39 S   HC   _H7_    40     1.09926   109.03144    41.77872
   41    39 S   CA   _C15    41     1.52493   112.38599   159.61938
   42    39 S   CO4  _C12    52     1.52506   110.40371   -77.04341
   43    42 S   O    _O35    53     1.22452   124.73374   -85.08692
   44    41 S   CA   _C16    42     1.40400   122.13989    43.71235
   45    44 S   HA   _H18    43     1.08697   120.74575    -0.25944
   46    42 S   OS   _O34    54     1.36530   109.76329    94.38867
   47    44 S   CA   _C17    44     1.39657   120.69302   179.14179
   48    47 S   HA   _H19    45     1.08635   119.88752   179.94065
   49    46 S   CT   _C7_    55     1.44127   117.12506   178.58916
   50    49 S   HC   _H13    56     1.09856   109.00275    39.27944
   51    47 S   CA   _C18    46     1.39277   120.14266    -0.34207
   52    51 S   HA   _H20    47     1.08607   120.06168  -179.92087
   53    49 S   CT   _C6_    57     1.54884   108.21897   155.80926
   54    53 S   HC   _H11    58     1.09861   109.69092    37.54885
   55    53 S   HC   _H12    59     1.09725   108.70467   -77.55456
   56    49 S   CT   _C8_    68     1.55084   109.84994   -80.39357
   57    56 S   HC   _H14    69     1.09709   108.97458    79.03261
   58    56 S   HC   _H15    70     1.09853   109.55823   -36.31622
   59    51 S   CA   _C19    48     1.39262   119.86750    -0.22814
   60    59 S   HA   _H21    49     1.08629   119.98880  -179.64064
   61    53 S   CT   _C5_    60     1.54319   112.33548   160.04523
   62    61 S   HC   _H3_    61     1.09461   110.90589   179.95154
   63    41 S   CA   _C20    50     1.40439   119.39007  -138.07002
   64    63 S   HA   _H22    51     1.08757   120.44198     0.81349
   65    61 S   C3T  _C11    62     1.50971   110.10952    54.15039
   66    65 S   HC   _H6_    63     1.07582   117.66163    50.75696
   67    65 S   C3T  _C10    64     1.48166   106.31889   -89.32946
   68    67 S   HC   _H5_    65     1.07713   121.63542   138.32164
   69    67 S   CT   _C9_    66     1.50851   106.11670     0.13122
   70    69 S   HC   _H4_    67     1.09467   112.93411  -146.40282
   71    65 S   O3T  _O33    76     1.43129   118.17102  -152.26354
   72    61 S   NTH0 _N4_    71     1.48131   103.61660   -58.04738
   73    72 S   CT   _C4_    72     1.45643   114.12211  -154.90579
   74    73 S   HC   _H8_    73     1.09566   109.87884   179.08743
   75    73 S   HC   _H9_    74     1.09566   109.87711    62.28078
   76    73 S   HC   _H10    75     1.09273   114.79543   -59.31299
  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  12   6  12   8   2   8   4  10   6   3
  14   8   5   3  14   6   5  11   5   4   3   2  13   7   1   1
   8   5   6   4   7   3   1   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    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    63    42    43    46  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    47    59    63    64    42    43    46    49  
   41    44    63    42    43    46  
   44    45    47    48    51    59    60    63    64    42    43    46  
   43    46    49    50    53    56    44    63  
   46    49  
   45    47    48    51    52    59    63    64  
   47    48    51    63  
   49    50    53    54    55    61    69    56    57    58  
   48    51    52    59    60    63  
   51    52    59  
   50    53    54    55    61    62    65    67    69    70    56    57    58    72  
   53    54    55    61    69    56    57    58  
   52    59    60    63    64  
   59    60    63  
   54    55    61    62    65    66    67    69    56    57    58    72    73    71  
   55    61    62    65    56    72  
   61    62    65    56    72  
   57    58    72    73    71    61    65    67    68    69    70  
   58    72    67    69    70  
   72    67    69    70  
   60    63    64  
   63    64  
   62    65    66    67    68    69    70    72    73    74    75    76    71  
   65    66    67    69    72    73    71  
   64  
    0  
   66    67    68    69    70    72    73    71  
   67    68    69    72    71  
   68    69    70    72    73    71  
   69    70    72    71  
   70    72    73    74    75    76    71  
   72    73    71  
   72  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   72   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   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    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   317.000  1.510
   39    42   317.000  1.522
   41    44   469.000  1.400
   41    63   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    65   275.000  1.510
   61    72   310.000  1.447
   65    66   340.000  1.088
   65    67   260.000  1.509
   65    71   335.000  1.432
   67    68   340.000  1.088
   67    69   275.000  1.510
   67    71   335.000  1.432
   69    70   340.000  1.090
   69    56   268.000  1.529
   69    72   310.000  1.447
   56    57   340.000  1.090
   56    58   340.000  1.090
   72    73   310.000  1.447
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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    70.00000  112.17500
   33    39    42    63.00000  111.10000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    44    70.00000  120.00000
   39    41    63    70.00000  120.00000
   39    42    43    80.00000  120.40000
   39    42    46    81.00000  111.40000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  120.00000
   41    44    47    63.00000  120.00000
   41    63    59    63.00000  120.00000
   41    63    64    35.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   47    44    45    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    59    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    59    60    35.00000  120.00000
   51    59    63    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    63    64    35.00000  120.00000
   63    41    44    63.00000  120.00000
   63    59    60    35.00000  120.00000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  110.93000
   42    46    49    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    53    50.00000  109.50000
   46    49    56    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    56    69    58.35000  112.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   53    49    50    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    65    70.00000  112.37300
   53    61    72    75.00000  113.73300
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    65    66    40.00000  115.04500
   61    65    67    60.00000  120.94000
   61    65    71    80.00000  116.47100
   61    72    69    80.00000  110.40700
   61    72    73    80.00000  110.40700
   65    61    62    45.00000  109.38400
   65    67    68    37.50000  117.20000
   65    67    69    60.00000  120.94000
   65    67    71    15.00000   60.43100
   65    71    67    15.00000   59.14900
   67    65    66    37.50000  117.20000
   67    69    70    45.00000  109.38400
   67    69    56    70.00000  112.37300
   67    69    72    75.00000  113.73300
   69    67    68    40.00000  115.04500
   69    56    57    37.50000  110.70000
   69    56    58    37.50000  110.70000
   69    72    73    80.00000  110.40700
   56    49    50    37.50000  110.70000
   56    49    53    58.35000  112.70000
   56    69    70    37.50000  110.70000
   58    56    57    33.00000  107.80000
   72    61    62    50.00000  110.15500
   72    61    65    75.00000  113.73300
   72    69    70    50.00000  110.15500
   72    69    56    75.00000  113.73300
   72    73    74    50.00000  110.15500
   72    73    75    50.00000  110.15500
   72    73    76    50.00000  110.15500
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   71    65    66    50.00000  114.27700
   71    65    67    15.00000   60.43100
   71    67    68    50.00000  114.27700
   71    67    69    80.00000  116.47100
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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   0.04150 -1.0 2.0
   33    39    41    63   0.04150 -1.0 2.0
   33    39    42    43   0.30150 -1.0 2.0
   33    39    42    46   0.36750  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.43200  1.0 3.0
   34    33    39    42  -0.11250  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.43200  1.0 3.0
   35    33    39    42  -0.11250  1.0 3.0
   39    41    44    45   3.62500 -1.0 2.0
   39    41    44    47   3.62500 -1.0 2.0
   39    41    63    59   3.62500 -1.0 2.0
   39    41    63    64   3.62500 -1.0 2.0
   39    42    46    49   1.63150  1.0 1.0
   39    42    46    49   2.92000 -1.0 2.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    41    63   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    46   0.00000  1.0 1.0
   41    39    42    43   0.30150 -1.0 2.0
   41    39    42    46   0.40000  1.0 3.0
   41    44    47    48   3.62500 -1.0 2.0
   41    44    47    51   3.62500 -1.0 2.0
   44    41    63    59   3.62500 -1.0 2.0
   44    41    63    64   3.62500 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47   -51    59   3.62500 -1.0 2.0
   45    44    47    48   3.62500 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   47    51    59    60   3.62500 -1.0 2.0
   47    51    59    63   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    59   3.62500 -1.0 2.0
   51    59   -63    41   3.62500 -1.0 2.0
   51    59    63    64   3.62500 -1.0 2.0
   52    51    59    60   3.62500 -1.0 2.0
   52    51    59    63   3.62500 -1.0 2.0
   60    59    63    41   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   63    41    44    45   3.62500 -1.0 2.0
   63    41   -44    47   3.62500 -1.0 2.0
   42    39    41    44   0.04300 -1.0 2.0
   42    39    41    63   0.04300 -1.0 2.0
   42    46    49    50   0.08050  1.0 3.0
   42    46    49    53  -0.25900  1.0 1.0
   42    46    49    53  -0.47000 -1.0 2.0
   42    46    49    53   0.11750  1.0 3.0
   42    46    49    56  -0.25900  1.0 1.0
   42    46    49    56  -0.47000 -1.0 2.0
   42    46    49    56   0.11750  1.0 3.0
   43    42    46    49   3.00000 -1.0 2.0
   46    49    53    54   0.23400  1.0 3.0
   46    49    53    55   0.23400  1.0 3.0
   46    49    53    61   0.62750  1.0 1.0
   46    49    53    61  -0.30950 -1.0 2.0
   46    49    53    61   0.27300  1.0 3.0
   46    49    56    69   0.62750  1.0 1.0
   46    49    56    69  -0.30950 -1.0 2.0
   46    49    56    69   0.27300  1.0 3.0
   46    49    56    57   0.23400  1.0 3.0
   46    49    56    58   0.23400  1.0 3.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    65   0.47050  1.0 1.0
   49    53    61    65   0.03900 -1.0 2.0
   49    53    61    65   0.20100  1.0 3.0
   49    53    61    72   1.53400  1.0 1.0
   49    53    61    72  -0.09950 -1.0 2.0
   49    53    61    72   0.05700  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   50    49    56    69   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   53    49    56    69   0.56750  1.0 1.0
   53    49    56    69  -0.07550 -1.0 2.0
   53    49    56    69   0.20000  1.0 3.0
   53    49    56    57   0.15000  1.0 3.0
   53    49    56    58   0.15000  1.0 3.0
   53    61    65    66   0.15000  1.0 3.0
   53    61    65    67   0.07850  1.0 1.0
   53    61    65    67  -0.03950 -1.0 2.0
   53    61    65    67   0.67350  1.0 3.0
   53    61    65    71   0.02550  1.0 1.0
   53    61    65    71  -0.02600 -1.0 2.0
   53    61    65    71   1.20400  1.0 3.0
   53    61   -72    69   1.99000  1.0 1.0
   53    61   -72    69   0.18800 -1.0 2.0
   53    61   -72    69   0.81350  1.0 3.0
   53    61    72    73   0.58650  1.0 1.0
   53    61    72    73   0.12600 -1.0 2.0
   53    61    72    73   0.33350  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    65   0.15000  1.0 3.0
   54    53    61    72   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    65   0.15000  1.0 3.0
   55    53    61    72   0.15000  1.0 3.0
   61    65    67    68   0.15000  1.0 3.0
   61    65   -67    69   0.56750  1.0 1.0
   61    65   -67    69  -0.07550 -1.0 2.0
   61    65   -67    69   0.20000  1.0 3.0
   61    65   -67    71   0.02550  1.0 1.0
   61    65   -67    71  -0.02600 -1.0 2.0
   61    65   -67    71   1.20400  1.0 3.0
   61    65   -71    67   0.06250  1.0 1.0
   61    65   -71    67  -0.01100 -1.0 2.0
   61    65   -71    67   0.28050  1.0 3.0
   61    72    73    74   0.28000  1.0 3.0
   61    72    73    75   0.28000  1.0 3.0
   61    72    73    76   0.28000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    72    69   0.28000  1.0 3.0
   62    61    72    73   0.28000  1.0 3.0
   65    61   -72    69   1.99000  1.0 1.0
   65    61   -72    69   0.18800 -1.0 2.0
   65    61   -72    69   0.81350  1.0 3.0
   65    61    72    73   1.99000  1.0 1.0
   65    61    72    73   0.18800 -1.0 2.0
   65    61    72    73   0.81350  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    56   0.07850  1.0 1.0
   65    67    69    56  -0.03950 -1.0 2.0
   65    67    69    56   0.67350  1.0 3.0
   65    67   -69    72   1.53400  1.0 1.0
   65    67   -69    72  -0.09950 -1.0 2.0
   65    67   -69    72   0.05700  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65   -67    71   0.23400  1.0 3.0
   66    65   -71    67   0.36800  1.0 3.0
   67    69    56    49   0.47050  1.0 1.0
   67    69    56    49   0.03900 -1.0 2.0
   67    69    56    49   0.20100  1.0 3.0
   67    69    56    57   0.15000  1.0 3.0
   67    69    56    58   0.15000  1.0 3.0
   67    69   -72    61   1.99000  1.0 1.0
   67    69   -72    61   0.18800 -1.0 2.0
   67    69   -72    61   0.81350  1.0 3.0
   67    69    72    73   1.99000  1.0 1.0
   67    69    72    73   0.18800 -1.0 2.0
   67    69    72    73   0.81350  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    56   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67   -71    65   0.36800  1.0 3.0
   69    67   -71    65   0.06250  1.0 1.0
   69    67   -71    65  -0.01100 -1.0 2.0
   69    67   -71    65   0.28050  1.0 3.0
   69    72    73    74   0.28000  1.0 3.0
   69    72    73    75   0.28000  1.0 3.0
   69    72    73    76   0.28000  1.0 3.0
   70    69    56    49   0.15000  1.0 3.0
   70    69    56    57   0.15000  1.0 3.0
   70    69    56    58   0.15000  1.0 3.0
   70    69    72    61   0.28000  1.0 3.0
   70    69    72    73   0.28000  1.0 3.0
   56    49    53    54   0.15000  1.0 3.0
   56    49    53    55   0.15000  1.0 3.0
   56    49    53    61   0.56750  1.0 1.0
   56    49    53    61  -0.07550 -1.0 2.0
   56    49    53    61   0.20000  1.0 3.0
   56    69   -72    61   1.99000  1.0 1.0
   56    69   -72    61   0.18800 -1.0 2.0
   56    69   -72    61   0.81350  1.0 3.0
   56    69    72    73   0.58650  1.0 1.0
   56    69    72    73   0.12600 -1.0 2.0
   56    69    72    73   0.33350  1.0 3.0
   72    61    65    66   0.15000  1.0 3.0
   72    61   -65    67   1.53400  1.0 1.0
   72    61   -65    67  -0.09950 -1.0 2.0
   72    61   -65    67   0.05700  1.0 3.0
   72    61    65    71   0.63850  1.0 1.0
   72    61    65    71   0.02700 -1.0 2.0
   72    69   -56    49   1.53400  1.0 1.0
   72    69   -56    49  -0.09950 -1.0 2.0
   72    69   -56    49   0.05700  1.0 3.0
   72    69    56    57   0.15000  1.0 3.0
   72    69    56    58   0.15000  1.0 3.0
   71    65   -67    68   0.23400  1.0 3.0
   71    65   -67    69   0.02550  1.0 1.0
   71    65   -67    69  -0.02600 -1.0 2.0
   71    65   -67    69   1.20400  1.0 3.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    56   0.02550  1.0 1.0
   71    67    69    56  -0.02600 -1.0 2.0
   71    67    69    56   1.20400  1.0 3.0
   71    67   -69    72   0.63850  1.0 1.0
   71    67   -69    72   0.02700 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   44    63    41    39   4.00000 -1.0 2.0
   47    45    44    41   1.10000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   59    52    51    47   1.10000 -1.0 2.0
   63    60    59    51   1.10000 -1.0 2.0
   59    64    63    41   1.10000 -1.0 2.0
   39    46    42    43  10.50000 -1.0 2.0
END
