* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    142    228     416
    1     0 S   NP   _N1_     1    29.05633    92.70703   -22.44339
    2     1 S   H    _HN1     2     1.02957    93.55534    30.21945
    3     1 S   H    _H1_     3     1.02839    18.78067   167.01546
    4     1 S   H    _H2_     4     1.02780   100.93153   -79.23444
    5     1 S   CT   _CA1     5     1.50106   128.85497   150.15718
    6     5 S   HC   _HA1     6     1.09574   105.24160    64.89475
    7     5 S   CO3  _C1_     7     1.53781   112.37201   -55.36004
    8     7 S   O2Z  _O11     8     1.26360   114.99488   -44.57128
    9     7 S   O2Z  _O12     9     1.26234   114.91826   134.64206
   10     5 S   CT   _CB1    10     1.53099   107.45612  -177.16752
   11    10 S   HC   HB11    11     1.09826   109.36191   -50.66454
   12    10 S   HC   HB12    12     1.09823   110.42791    65.89930
   13    10 S   CT   _CG1    13     1.53022   112.64488  -171.73946
   14    13 S   HC   HG11    14     1.09593   110.47078   -63.60251
   15    13 S   HC   HG12    15     1.09651   109.97361    55.63863
   16    13 S   C    _CD1    16     1.51792   112.28360   176.02975
   17    16 S   O    _OE1    17     1.22742   123.24166    -0.74283
   18    16 S   N    _N2_    18     1.38667   111.67845   179.23587
   19    18 S   H    _HN2    19     1.01594   119.10179     0.44893
   20    18 S   CT1  _CA2    20     1.46099   123.22513  -179.84298
   21    20 S   HC   _HA2    21     1.09571   109.11427   -12.80514
   22    20 S   C    _C2_    22     1.53460   108.71963  -127.89803
   23    22 S   O    _O2_    23     1.23023   122.11649  -148.25743
   24    20 S   CT   _CB2    32     1.53440   111.83223   109.62229
   25    24 S   HC   HB21    33     1.09655   109.54629    61.54540
   26    24 S   HC   HB22    34     1.09567   110.97346   178.90122
   27    22 S   N    _N3_    24     1.38475   113.43506    39.31897
   28    27 S   H    _HN3    25     1.01523   118.89750    -0.95142
   29    24 S   S    _SG2    35     1.82834   114.59156   -58.16983
   30    27 S   CT   _CA3    26     1.45458   123.58090   174.68419
   31    30 S   HC   HA31    27     1.09511   109.36991    21.55259
   32    30 S   HC   HA32    28     1.09495   107.08935   138.62540
   33    29 S   CT   _C6_    36     1.83149    99.81953   -70.15214
   34    33 S   HC   _H7_    37     1.09347   109.05019    56.22032
   35    33 S   HC   _H8_    38     1.09497   105.95883   -60.60684
   36    30 S   CO3  _C3_    29     1.52934   113.03845  -101.98418
   37    36 S   O2Z  _O31    30     1.26409   115.40734   -43.19674
   38    36 S   O2Z  _O32    31     1.26351   114.97140   137.68867
   39    33 S   CT   _C5_    39     1.54891   113.74039   178.37189
   40    39 S   CT   _C7_    40     1.55251   109.56256   179.48490
   41    40 S   HC   _H3_    41     1.10087   108.74343    62.48791
   42    39 S   CT   _C4_    72     1.53645   112.57895   -57.99645
   43    42 S   HC   _H4_    73     1.09476   111.98749    63.22345
   44    42 S   HC   _H5_    74     1.09482   111.36454   -58.59464
   45    42 S   HC   _H6_    75     1.09555   111.18601  -179.55413
   46    39 S   OH   _O36    76     1.43273   108.56085    61.70393
   47    46 S   HO   _H20    77     0.97340   107.38103   -55.68530
   48    40 S   CT   _C8_    42     1.53871   115.00772  -174.68006
   49    48 S   HC   _H9_    43     1.09362   111.67320    31.94672
   50    48 S   HC   _H10    44     1.09292   110.35876   -91.34922
   51    40 S   OS   _O35    52     1.45008   110.24485   -53.66932
   52    48 S   CA   _C9_    45     1.48984   100.59694   148.62848
   53    52 S   CA   _C14    46     1.40132   131.79117   164.36719
   54    53 S   CA   _C13    47     1.42136   115.83267  -177.49017
   55    53 S   NE   _N4_    67     1.41107   125.21033     0.84488
   56    54 S   CA   _C12    48     1.41460   121.61683    -4.05927
   57    54 S   CO4  _C21    55     1.48691   118.26267   175.24449
   58    57 S   O    _O33    56     1.22524   120.98679   170.96230
   59    55 S   CT   _C22    68     1.46327   119.82680    23.28802
   60    59 S   HC   _H16    69     1.09452   110.86890   -90.91927
   61    59 S   HC   _H17    70     1.09663   112.37954   147.81634
   62    59 S   HC   _H18    71     1.09403   111.79122    32.07732
   63    56 S   CA   _C11    49     1.38825   120.84171     1.98820
   64    63 S   HA   _H11    50     1.08443   121.45402   179.40062
   65    56 S   OH   _O34    53     1.36976   123.47770  -178.77108
   66    65 S   HO   _H19    54     0.97373   108.87234     2.28824
   67    57 S   CA   _C20    57     1.47622   118.96641   -10.37983
   68    52 S   CA   _C10    51     1.39569   106.96810   -16.10221
   69    67 S   CA   _C19    58     1.40195   119.37018  -168.48486
   70    69 S   HA   _H15    59     1.08677   121.15399    -0.28255
   71    69 S   CA   _C18    60     1.39086   119.80858   179.21366
   72    71 S   HA   _H14    61     1.08603   120.16520  -179.70993
   73    71 S   CA   _C17    62     1.39026   119.66254    -0.26761
   74    73 S   HA   _H13    63     1.08657   119.95391  -179.13929
   75    73 S   CA   _C16    64     1.39903   120.21691     0.58081
   76    75 S   HA   _H12    65     1.08705   117.29560  -178.51246
   77    67 S   CA   _C15    66     1.40361   118.85001    11.72936
  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
  13   5   4   2   1   1  14  15   8   7   3   2   1   3   1   9
   5   4   6  10  15  13  13   8   9   3   6   3   2   1   4   2
   2   1   8   1   7   4   6   3   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    42    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    48    51    42    43    44    45    46    47  
   35    39    40    42    46  
   39    40    42    46  
   37    38  
   38  
    0  
   40    41    48    49    50    52    68    51    42    43    44    45    46    47  
   41    48    49    50    52    53    63    68    51    42    43    44    45    46    47  
   48    49    50    52    68    51    42    46  
   43    44    45    46    47    48    51  
   44    45    46  
   45    46  
   46  
   47    48    51  
    0  
   49    50    52    53    54    63    68    51    55  
   50    52    53    68    51  
   52    53    68    51  
   52    53    56    63    64    68  
   53    54    56    63    64    68    57    77    55    59  
   54    56    63    68    65    57    58    67    75    77    55    59    60    61    62  
   56    63    64    68    65    66    57    58    67    69    77    55    59  
   59    60    61    62    56    57    67    68    69    73    75    76    77  
   63    64    68    65    66    57    58    67  
   58    67    69    70    71    75    77    63    65  
   67    69    77  
   60    61    62    67    75    77  
   61    62    77  
   62    77  
   77  
   64    68    65    66  
   68    65  
   66    68  
    0  
   69    70    71    72    73    75    76    77  
    0  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.700000   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   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.210000   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   268.000  1.529
   39    42   268.000  1.529
   39    46   320.000  1.410
   40    41   340.000  1.090
   40    48   268.000  1.529
   40    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    53   469.000  1.400
   52    68   469.000  1.400
   53    54   469.000  1.400
   53    55   481.000  1.340
   54    56   469.000  1.400
   54    57   310.000  1.470
   56    63   469.000  1.400
   56    65   450.000  1.364
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    51   450.000  1.364
   65    66   553.000  0.945
   57    58   570.000  1.229
   57    67   310.000  1.470
   67    69   469.000  1.400
   67    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    55   481.000  1.340
   55    59   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    58.35000  112.70000
   33    39    42    58.35000  112.70000
   33    39    46    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    40    41    37.50000  110.70000
   39    40    48    58.35000  112.70000
   39    40    51    50.00000  109.50000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    55.00000  108.50000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    52    70.00000  112.17500
   40    51    68    75.00000  111.00000
   48    40    41    37.50000  110.70000
   48    52    53    70.00000  120.00000
   48    52    68    70.00000  120.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.10000
   52    68    63    63.00000  120.00000
   52    68    51    70.00000  120.00000
   53    54    56    63.00000  120.00000
   53    54    57    60.00000  119.52600
   53    55    77    50.00000  129.00000
   53    55    59    50.00000  120.00000
   54    56    63    63.00000  120.00000
   54    56    65    70.00000  120.00000
   54    57    58    75.00000  123.78400
   54    57    67    65.00000  116.00000
   56    63    64    35.00000  120.00000
   56    63    68    63.00000  120.00000
   56    65    66    35.00000  113.00000
   63    68    51    70.00000  120.00000
   68    52    53    63.00000  120.00000
   68    63    64    35.00000  120.00000
   51    40    41    35.00000  109.50000
   51    40    48    50.00000  109.50000
   65    56    63    70.00000  120.00000
   57    54    56    60.00000  119.52600
   57    67    69    60.00000  119.52600
   57    67    77    60.00000  119.52600
   67    57    58    75.00000  123.78400
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   67    77    75    63.00000  120.00000
   67    77    55    70.00000  120.10000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    55    70.00000  120.10000
   77    67    69    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    55    59    50.00000  120.00000
   55    53    54    70.00000  120.10000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    39    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    40    50.00000  109.50000
   46    39    42    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    48   0.56750  1.0 1.0
   33    39    40    48  -0.07550 -1.0 2.0
   33    39    40    48   0.20000  1.0 3.0
   33    39    40    51   0.62750  1.0 1.0
   33    39    40    51  -0.30950 -1.0 2.0
   33    39    40    51   0.27300  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   34    33    39    46   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   35    33    39    46   0.23400  1.0 3.0
   39    40    48    49   0.15000  1.0 3.0
   39    40    48    50   0.15000  1.0 3.0
   39    40    48    52  -0.03700  1.0 1.0
   39    40    48    52   0.37200 -1.0 2.0
   39    40    48    52  -0.47300  1.0 3.0
   39    40    51    68  -0.32850  1.0 1.0
   39    40    51    68  -0.35800 -1.0 2.0
   39    40    51    68   0.33950  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   40    39    46    47  -0.11600  1.0 1.0
   40    39    46    47  -0.09450 -1.0 2.0
   40    39    46    47   0.21250  1.0 3.0
   40    48    52    53   0.04150 -1.0 2.0
   40    48   -52    68   0.04150 -1.0 2.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    52   0.43200  1.0 3.0
   41    40    51    68   0.08050  1.0 3.0
   48    40   -51    68  -0.32850  1.0 1.0
   48    40   -51    68  -0.35800 -1.0 2.0
   48    40   -51    68   0.33950  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    55   3.62500 -1.0 2.0
   48    52    68    63   3.62500 -1.0 2.0
   48    52   -68    51   3.62500 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    68   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    68   0.00000  1.0 1.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    55    77   0.17750 -1.0 2.0
   52    53    55    59  -1.00000  1.0 1.0
   52    53    55    59   1.25000 -1.0 2.0
   52    68   -51    40   1.63200 -1.0 2.0
   53    52    68    63   3.62500 -1.0 2.0
   53    52    68    51   3.62500 -1.0 2.0
   53    54   -56    63   3.62500 -1.0 2.0
   53    54    56    65   3.62500 -1.0 2.0
   53    54    57    58   1.05000 -1.0 2.0
   53    54    57    67   0.56600 -1.0 2.0
   53    55    59    60   0.00000  1.0 1.0
   53    55    59    61   0.00000  1.0 1.0
   53    55    59    62   0.00000  1.0 1.0
   54    53    55    77   0.17750 -1.0 2.0
   54    53    55    59  -1.00000  1.0 1.0
   54    53    55    59   1.25000 -1.0 2.0
   54    56    63    64   3.62500 -1.0 2.0
   54    56    63    68   3.62500 -1.0 2.0
   54    56    65    66   0.84100 -1.0 2.0
   54    57    67    69   0.56600 -1.0 2.0
   54    57   -67    77   0.56600 -1.0 2.0
   56    54    57    58   1.05000 -1.0 2.0
   56    54    57    67   0.56600 -1.0 2.0
   56    63   -68    52   3.62500 -1.0 2.0
   56    63    68    51   3.62500 -1.0 2.0
   63    56    65    66   0.84100 -1.0 2.0
   63    68    51    40   1.63200 -1.0 2.0
   64    63    68    52   3.62500 -1.0 2.0
   64    63    68    51   3.62500 -1.0 2.0
   68    52   -53    54   3.62500 -1.0 2.0
   68    52    53    55   3.62500 -1.0 2.0
   51    40    48    49   0.23400  1.0 3.0
   51    40    48    50   0.23400  1.0 3.0
   51    40   -48    52  -0.64350  1.0 1.0
   51    40   -48    52  -0.04200 -1.0 2.0
   51    40   -48    52   0.19800  1.0 3.0
   65    56    63    64   3.62500 -1.0 2.0
   65    56    63    68   3.62500 -1.0 2.0
   57    54    56    63   3.62500 -1.0 2.0
   57    54    56    65   3.62500 -1.0 2.0
   57    67    69    70   3.62500 -1.0 2.0
   57    67    69    71   3.62500 -1.0 2.0
   57    67    77    75   3.62500 -1.0 2.0
   57    67    77    55   3.62500 -1.0 2.0
   58    57    67    69   1.05000 -1.0 2.0
   58    57    67    77   1.05000 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   67    77   -55    53   0.17750 -1.0 2.0
   67    77    55    59  -1.00000  1.0 1.0
   67    77    55    59   1.25000 -1.0 2.0
   69    67    77    75   3.62500 -1.0 2.0
   69    67    77    55   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    67   3.62500 -1.0 2.0
   73    75    77    55   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    55    53   0.17750 -1.0 2.0
   75    77    55    59  -1.00000  1.0 1.0
   75    77    55    59   1.25000 -1.0 2.0
   76    75    77    67   3.62500 -1.0 2.0
   76    75    77    55   3.62500 -1.0 2.0
   77    67    69    70   3.62500 -1.0 2.0
   77    67   -69    71   3.62500 -1.0 2.0
   77    55    59    60   0.00000  1.0 1.0
   77    55    59    61   0.00000  1.0 1.0
   77    55    59    62   0.00000  1.0 1.0
   55    53    54    56   3.62500 -1.0 2.0
   55    53   -54    57   3.62500 -1.0 2.0
   42    39    40    41   0.15000  1.0 3.0
   42    39    40    48   0.56750  1.0 1.0
   42    39    40    48  -0.07550 -1.0 2.0
   42    39    40    48   0.20000  1.0 3.0
   42    39    40    51   0.62750  1.0 1.0
   42    39    40    51  -0.30950 -1.0 2.0
   42    39    40    51   0.27300  1.0 3.0
   42    39    46    47  -0.11600  1.0 1.0
   42    39    46    47  -0.09450 -1.0 2.0
   42    39    46    47   0.21250  1.0 3.0
   46    39    40    41   0.23400  1.0 3.0
   46    39    40    48   0.86500  1.0 1.0
   46    39    40    48  -0.17500 -1.0 2.0
   46    39    40    48   0.20800  1.0 3.0
   46    39    40    51   3.69350  1.0 1.0
   46    39    40    51  -1.82950 -1.0 2.0
   46    39    42    43   0.23400  1.0 3.0
   46    39    42    44   0.23400  1.0 3.0
   46    39    42    45   0.23400  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
   37    30    36    38  10.50000 -1.0 2.0
   53    68    52    48   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    57    54    53   4.00000 -1.0 2.0
   63    65    56    54   4.00000 -1.0 2.0
   68    64    63    56   1.10000 -1.0 2.0
   63    51    68    52   4.00000 -1.0 2.0
   54    67    57    58  10.50000 -1.0 2.0
   69    77    67    57   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    55    77    67   4.00000 -1.0 2.0
   59    53    55    77   1.00000 -1.0 2.0
END
