* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    30.16106    96.75580   -22.50852
    2     1 S   H    _HN1     2     1.02797    27.16385   -21.33858
    3     1 S   H    _H1_     3     1.02798    80.83249   148.22282
    4     1 S   H    _H2_     4     1.03289   113.52051  -107.06454
    5     1 S   CT   _CA1     5     1.49949   127.78364    38.90939
    6     5 S   HC   _HA1     6     1.09258   104.48625   157.80769
    7     5 S   CO3  _C1_     7     1.53600   113.16461    38.60916
    8     7 S   O2Z  _O11     8     1.26334   115.21609   -40.95938
    9     7 S   O2Z  _O12     9     1.26336   114.69694   138.42014
   10     5 S   CT   _CB1    10     1.53328   107.50588   -83.47883
   11    10 S   HC   HB11    11     1.09792   109.66535   -46.00450
   12    10 S   HC   HB12    12     1.09792   109.46417    70.51955
   13    10 S   CT   _CG1    13     1.53031   114.11473  -168.26772
   14    13 S   HC   HG11    14     1.09660   109.43797  -168.44116
   15    13 S   HC   HG12    15     1.09290   111.64292   -50.61023
   16    13 S   C    _CD1    16     1.51299   111.49193    73.34805
   17    16 S   O    _OE1    17     1.22872   121.64501    82.14618
   18    16 S   N    _N2_    18     1.38286   113.17539   -95.71645
   19    18 S   H    _HN2    19     1.01737   119.05386     1.62594
   20    18 S   CT1  _CA2    20     1.46156   123.24601   177.56056
   21    20 S   HC   _HA2    21     1.09758   109.47480    13.58427
   22    20 S   C    _C2_    22     1.53510   107.87265  -102.13942
   23    22 S   O    _O2_    23     1.23031   122.47755  -131.70637
   24    20 S   CT   _CB2    32     1.53352   111.44515   135.61055
   25    24 S   HC   HB21    33     1.09427   109.87059    56.26173
   26    24 S   HC   HB22    34     1.09491   109.48793   175.35472
   27    22 S   N    _N3_    24     1.38543   113.54762    53.92782
   28    27 S   H    _HN3    25     1.01587   119.56618     0.69914
   29    24 S   S    _SG2    35     1.82647   111.07814   -65.13496
   30    27 S   CT   _CA3    26     1.45414   123.11143   178.31159
   31    30 S   HC   HA31    27     1.09521   107.04722   -82.08258
   32    30 S   HC   HA32    28     1.09553   108.66019    34.50226
   33    29 S   CT   _C20    36     1.84198   101.84573   177.43967
   34    30 S   CO3  _C3_    29     1.52935   114.40208   157.17151
   35    34 S   O2Z  _O31    30     1.26401   116.35579     8.44941
   36    34 S   O2Z  _O32    31     1.26410   114.48431  -170.98716
   37    33 S   CM   _C21    37     1.50557   109.06134   156.19671
   38    33 S   CO4  _C19    70     1.52355   108.30488   -80.71007
   39    38 S   O    _O36    71     1.23723   119.88216    75.81787
   40    33 S   OH   _O39    77     1.43008   113.09129    34.99629
   41    40 S   HO   _H15    78     0.97188   107.68817   -66.92191
   42    37 S   CMA  _C23    38     1.36157   125.64469    92.28763
   43    42 S   OM   _O38    39     1.27076   128.53723  -175.37217
   44    37 S   C    _C22    72     1.50870   114.90522   -85.35861
   45    44 S   O    _O37    73     1.22765   122.13647    49.24680
   46    42 S   CT   _C16    40     1.57724   116.72831     2.93938
   47    46 S   OM   _O40    41     1.33180   113.10383   156.84123
   48    44 S   N    _N4_    74     1.37381   114.35076  -127.12212
   49    48 S   H    _H13    75     1.01499   121.50197    -5.55164
   50    48 S   H    _H14    76     1.01248   120.77101   178.89536
   51    46 S   CO4  _C15    42     1.54597   110.25297   -86.75489
   52    51 S   O    _O35    43     1.23284   121.54201   -33.04454
   53    51 S   CA   _C7_    44     1.51211   120.00211   148.32270
   54    53 S   CA   _C6_    45     1.39839   120.53005     1.75803
   55    54 S   CA   _C5_    46     1.42834   119.55189   175.61823
   56    54 S   CT   _C18    65     1.51609   120.40533    -2.16238
   57    56 S   HC   _H11    66     1.09755   108.20672    97.79176
   58    56 S   HC   _H12    67     1.09639   109.89548  -146.25393
   59    55 S   CA   _C10    47     1.45060   121.88516     8.91178
   60    55 S   CT   _C4_    61     1.51790   117.38843  -169.09846
   61    60 S   HC   _H4_    62     1.09346   110.65354   -97.63918
   62    60 S   HC   _H5_    63     1.09386   112.72554    23.58199
   63    60 S   HC   _H6_    64     1.09373   110.74180   138.17918
   64    46 S   CT   _C17    68     1.54183   111.12458    36.07426
   65    64 S   HC   _H3_    69     1.10296   109.56290    67.12081
   66    59 S   CA   _C9_    48     1.42753   117.07508   -10.17498
   67    66 S   CA   _C14    49     1.43081   118.57864  -174.66454
   68    53 S   CA   _C8_    58     1.40898   120.74079  -179.84934
   69    67 S   CA   _C13    50     1.39042   123.07627    -2.52600
   70    69 S   HA   _H8_    51     1.08576   121.50122  -179.35320
   71    67 S   OH   _O33    56     1.37627   120.46740   177.86265
   72    71 S   HO   _H9_    57     0.97146   109.65943   179.83929
   73    68 S   OH   _O34    59     1.37932   120.02863     1.15080
   74    73 S   HO   _H10    60     0.97249   109.89720    -1.17337
   75    69 S   CA   _C12    52     1.37582   118.97607    -1.29150
   76    75 S   HA   _H7_    53     1.08777   118.83703  -176.78125
   77    59 S   CA   _C11    54     1.44461   126.77042   169.75752
   78    77 S   Cl   Cl1_    55     1.74034   124.30017    -9.79830
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   2   1   1  15  14   5   4   1  12   5   5   3  11   6   2
   1   1  10   4  13  15  15   7   3   2  14   5   2   1   1   1
   1  11   9   5   7   4   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    64    38    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    56    64    65    38    39    44    45    48    40    41  
   35    36  
   36  
    0  
   42    43    46    47    51    64    38    39    44    45    48    49    50    40    41  
   39    44    40    41    42    46    47    51    54    56    57    58    64    65  
   40    46    56    64    65  
   41    42    44    64  
    0  
   43    46    47    51    52    53    56    64    65    44    45    48  
   46    47    51    64    44  
   45    48    49    50    46  
   48    49    50  
   47    51    52    53    54    68    56    57    58    64    65  
   51    52    53    56    64    65  
   49    50  
   50  
    0  
   52    53    54    55    66    68    73    56    64    65  
   53    54    68    64  
   54    55    59    66    67    68    73    74    60    56    57    58    64  
   55    59    66    77    68    73    60    61    62    63    56    57    58    64    65  
   59    66    67    75    77    78    68    60    61    62    63    56    57    58    64  
   57    58    64    65    59    60    68  
   58    64    65  
   64    65  
   66    67    69    75    76    77    78    71    68    73    60    61    62    63  
   61    62    63    66    77  
   62    63  
   63  
    0  
   65  
    0  
   67    69    70    75    77    78    71    72    68    73    74  
   69    70    75    76    77    71    72    68    73  
   73    74    69    71    77  
   70    75    76    77    78    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.005000   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    44   410.000  1.444
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   570.000  1.307
   46    51   317.000  1.522
   46    64   268.000  1.529
   51    52   570.000  1.229
   51    53   310.000  1.470
   53    54   469.000  1.400
   53    68   469.000  1.400
   54    55   469.000  1.400
   54    56   317.000  1.510
   55    59   469.000  1.400
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    77   469.000  1.400
   66    67   469.000  1.400
   66    68   469.000  1.400
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   71    72   553.000  0.945
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    38   317.000  1.522
   38    39   570.000  1.229
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    50   434.000  1.010
   40    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  110.18000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    70.00000  119.70000
   33    38    64    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    80.00000  125.30000
   37    44    48    80.00000  111.56200
   42    46    47    85.00000  110.90400
   42    46    51    70.00000  109.06800
   42    46    64    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    51    52    80.00000  120.40000
   46    51    53    65.00000  115.47100
   46    64    56    58.35000  112.70000
   46    64    65    37.50000  110.70000
   46    64    38    63.00000  111.10000
   51    46    47    90.00000  108.74100
   51    53    54    60.00000  119.52600
   51    53    68    60.00000  119.52600
   53    51    52    75.00000  123.78400
   53    54    55    63.00000  120.00000
   53    54    56    70.00000  120.00000
   53    68    66    63.00000  120.00000
   53    68    73    70.00000  120.00000
   54    55    59    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.17500
   55    59    66    63.00000  120.00000
   55    59    77    63.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    67    63.00000  120.00000
   59    66    68    63.00000  120.00000
   59    77    75    63.00000  120.00000
   59    77    78    75.00000  120.00000
   66    67    69    63.00000  120.00000
   66    67    71    70.00000  120.00000
   66    68    73    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    75    63.00000  120.00000
   67    71    72    35.00000  113.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    59    66    63.00000  120.00000
   77    75    76    35.00000  120.00000
   71    67    69    70.00000  120.00000
   68    53    54    63.00000  120.00000
   68    66    67    63.00000  120.00000
   68    73    74    35.00000  113.00000
   60    55    59    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    38    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    46    47    50.00000  109.50000
   64    46    51    63.00000  111.10000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    64    65    35.00000  109.50000
   44    37    42    60.00000  120.04000
   44    48    49    35.00000  119.80000
   44    48    50    35.00000  119.80000
   48    44    45    80.00000  122.90000
   50    48    49    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    90.00000  109.61100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    64   0.65300  1.0 1.0
   29    33    38    64  -0.03850 -1.0 2.0
   29    33    38    64   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    44    45  -0.64400  1.0 1.0
   33    37    44    45   0.26850 -1.0 2.0
   33    37    44    48   1.59650  1.0 1.0
   33    37    44    48   0.42750 -1.0 2.0
   33    37    44    48  -0.48350  1.0 3.0
   37    33    38    64   0.65300  1.0 1.0
   37    33    38    64  -0.03850 -1.0 2.0
   37    33    38    64   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    46    47   0.39000  1.0 1.0
   37    42    46    47  -0.05800 -1.0 2.0
   37    42    46    47  -0.55150  1.0 3.0
   37    42    46    51  -0.51250  1.0 1.0
   37    42    46    51  -0.88800 -1.0 2.0
   37    42    46    51   0.08850  1.0 3.0
   37    42   -46    64   0.09850  1.0 1.0
   37    42   -46    64   0.15250 -1.0 2.0
   37    42   -46    64  -0.50650  1.0 3.0
   37    44    48    49   2.56700 -1.0 2.0
   37    44    48    50   2.56700 -1.0 2.0
   42    37    44    45   1.00000 -1.0 2.0
   42    37    44    48   0.49500  1.0 1.0
   42    37    44    48   1.31600 -1.0 2.0
   42    37    44    48  -0.02300  1.0 3.0
   42    46    51    52   0.30150 -1.0 2.0
   42    46    51    53   0.65300  1.0 1.0
   42    46    51    53  -0.03850 -1.0 2.0
   42    46    51    53   0.33900  1.0 3.0
   42    46    64    56   0.34400  1.0 1.0
   42    46    64    56   0.09450 -1.0 2.0
   42    46    64    56   0.11100  1.0 3.0
   42    46    64    65   0.15000  1.0 3.0
   42    46    64    38  -0.98800  1.0 1.0
   42    46    64    38   0.48800 -1.0 2.0
   42    46    64    38   0.76800  1.0 3.0
   43    42    46    47   0.09700  1.0 1.0
   43    42    46    47   0.15600 -1.0 2.0
   43    42    46    47  -0.50800  1.0 3.0
   43    42    46    51   0.09700  1.0 1.0
   43    42    46    51   0.15600 -1.0 2.0
   43    42    46    51  -0.50800  1.0 3.0
   43    42    46    64   0.09700  1.0 1.0
   43    42    46    64   0.15600 -1.0 2.0
   43    42    46    64  -0.50800  1.0 3.0
   46    51    53    54   2.26350  1.0 1.0
   46    51    53    54   0.76750 -1.0 2.0
   46    51    53    54   0.22500  1.0 3.0
   46    51    53    68   2.26350  1.0 1.0
   46    51    53    68   0.76750 -1.0 2.0
   46    51    53    68   0.22500  1.0 3.0
   46    64   -38    33   0.60050  1.0 1.0
   46    64   -38    33   0.05600 -1.0 2.0
   46    64   -38    33   0.26150  1.0 3.0
   46    64    38    39   0.30150 -1.0 2.0
   47    46    51    52   0.30150 -1.0 2.0
   47    46    51    53   0.65300  1.0 1.0
   47    46    51    53  -0.03850 -1.0 2.0
   47    46    51    53   0.33900  1.0 3.0
   47    46    64    56   0.62750  1.0 1.0
   47    46    64    56  -0.30950 -1.0 2.0
   47    46    64    56   0.27300  1.0 3.0
   47    46    64    65   0.23400  1.0 3.0
   47    46    64    38  -0.09450  1.0 1.0
   47    46    64    38  -1.12950 -1.0 2.0
   47    46    64    38   0.54000  1.0 3.0
   51    46    64    56  -0.95700  1.0 1.0
   51    46    64    56  -0.18200 -1.0 2.0
   51    46    64    56   0.29450  1.0 3.0
   51    46    64    65  -0.11250  1.0 3.0
   51    46    64    38   0.11950  1.0 1.0
   51    46    64    38   0.20300 -1.0 2.0
   51    46    64    38  -0.70800  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53   -54    56   3.62500 -1.0 2.0
   51    53    68    66   3.62500 -1.0 2.0
   51    53    68    73   3.62500 -1.0 2.0
   52    51    53    54   1.05000 -1.0 2.0
   52    51    53    68   1.05000 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    55    60   3.62500 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.04150 -1.0 2.0
   53    68    73    74   0.84100 -1.0 2.0
   54    53    68    66   3.62500 -1.0 2.0
   54    53    68    73   3.62500 -1.0 2.0
   54    55   -59    66   3.62500 -1.0 2.0
   54    55    59    77   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    46  -0.03700  1.0 1.0
   54    56   -64    46   0.37200 -1.0 2.0
   54    56   -64    46  -0.47300  1.0 3.0
   54    56    64    65   0.43200  1.0 3.0
   54    56    64    38   0.56750  1.0 1.0
   54    56    64    38  -0.07550 -1.0 2.0
   54    56    64    38   0.20000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.04150 -1.0 2.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    66    68   3.62500 -1.0 2.0
   55    59    77    75   3.62500 -1.0 2.0
   55    59    77    78   3.62500 -1.0 2.0
   59    55    60    61   0.00000  1.0 1.0
   59    55    60    62   0.00000  1.0 1.0
   59    55    60    63   0.00000  1.0 1.0
   59    66    67    69   3.62500 -1.0 2.0
   59    66    67    71   3.62500 -1.0 2.0
   59    66   -68    53   3.62500 -1.0 2.0
   59    66    68    73   3.62500 -1.0 2.0
   66    59    77    75   3.62500 -1.0 2.0
   66    59    77    78   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67   -69    75   3.62500 -1.0 2.0
   66    67    71    72   0.84100 -1.0 2.0
   66    68    73    74   0.84100 -1.0 2.0
   67    66    68    53   3.62500 -1.0 2.0
   67    66    68    73   3.62500 -1.0 2.0
   67    69    75    76   3.62500 -1.0 2.0
   67    69    75    77   3.62500 -1.0 2.0
   69    67    71    72   0.84100 -1.0 2.0
   69    75   -77    59   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    59   -66    67   3.62500 -1.0 2.0
   77    59    66    68   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   71    67    69    75   3.62500 -1.0 2.0
   68    53   -54    55   3.62500 -1.0 2.0
   68    53    54    56   3.62500 -1.0 2.0
   68    66    67    69   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   60    55    59    66   3.62500 -1.0 2.0
   60    55    59    77   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   56    64    38    33   0.60050  1.0 1.0
   56    64    38    33   0.05600 -1.0 2.0
   56    64    38    33   0.26150  1.0 3.0
   56    64    38    39   0.30150 -1.0 2.0
   57    56    64    46   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    38  -0.11250  1.0 3.0
   58    56    64    46   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    38  -0.11250  1.0 3.0
   64    46    51    52   0.30150 -1.0 2.0
   64    46   -51    53   0.05850 -1.0 2.0
   64    46   -51    53   0.17250  1.0 3.0
   65    64    38    33   0.00000  1.0 1.0
   65    64    38    39   0.00000  1.0 1.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    40    41   0.91850  1.0 1.0
   38    33    40    41   0.57950  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    50   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    64   0.55300  1.0 1.0
   40    33    38    64   1.25850 -1.0 2.0
   40    33    38    64  -0.23600  1.0 3.0
   40    33    38    39   0.30150 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   46    53    51    52  10.50000 -1.0 2.0
   54    68    53    51   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   59    60    55    54   4.00000 -1.0 2.0
   66    77    59    55   4.00000 -1.0 2.0
   67    68    66    59   4.00000 -1.0 2.0
   69    71    67    66   4.00000 -1.0 2.0
   75    70    69    67   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    59   4.00000 -1.0 2.0
   66    73    68    53   4.00000 -1.0 2.0
   33    64    38    39  10.50000 -1.0 2.0
   37    48    44    45  10.50000 -1.0 2.0
   50    44    48    49   1.00000 -1.0 2.0
END
