* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    163    255     471
    1     0 S   NP   _N1_     1    28.97246    97.39702   -22.51538
    2     1 S   H    _HN1     2     1.02946    69.29234    16.00776
    3     1 S   H    _H1_     3     1.02833    42.77700   166.88995
    4     1 S   H    _H2_     4     1.02788   101.64594   -89.35299
    5     1 S   CT   _CA1     5     1.50132   143.56199   112.75021
    6     5 S   HC   _HA1     6     1.09587   105.16945    95.55653
    7     5 S   CO3  _C1_     7     1.53769   112.10289   -24.46688
    8     7 S   O2Z  _O11     8     1.26350   115.05532   -50.77335
    9     7 S   O2Z  _O12     9     1.26217   114.87641   127.90683
   10     5 S   CT   _CB1    10     1.53062   107.35684  -146.77525
   11    10 S   HC   HB11    11     1.09838   109.27537   -50.72824
   12    10 S   HC   HB12    12     1.09805   110.56508    65.83075
   13    10 S   CT   _CG1    13     1.52986   112.59641  -171.68539
   14    13 S   HC   HG11    14     1.09599   110.62350   -66.51227
   15    13 S   HC   HG12    15     1.09676   109.80934    52.65948
   16    13 S   C    _CD1    16     1.51889   112.06603   173.08988
   17    16 S   O    _OE1    17     1.22739   123.27230     8.47707
   18    16 S   N    _N2_    18     1.38534   111.68402  -171.61707
   19    18 S   H    _HN2    19     1.01551   118.93916     1.47856
   20    18 S   CT1  _CA2    20     1.46269   123.68977   177.61329
   21    20 S   HC   _HA2    21     1.09723   109.44473     0.95470
   22    20 S   C    _C2_    22     1.53577   108.69871  -114.55549
   23    22 S   O    _O2_    23     1.23065   122.28432  -150.84485
   24    20 S   CT   _CB2    32     1.53241   111.07855   123.20224
   25    24 S   HC   HB21    33     1.09453   109.43600    53.41062
   26    24 S   HC   HB22    34     1.09491   110.97421   172.12371
   27    22 S   N    _N3_    24     1.38337   113.76512    36.76166
   28    27 S   H    _HN3    25     1.01586   119.50736    -3.59962
   29    24 S   S    _SG2    35     1.82931   111.33540   -68.59420
   30    27 S   CT   _CA3    26     1.45267   123.22668   177.14350
   31    30 S   HC   HA31    27     1.09548   107.54046   -64.09854
   32    30 S   HC   HA32    28     1.09558   107.95311    52.33710
   33    29 S   CT   _C19    36     1.83568    99.49825   156.09153
   34    33 S   HC   _H6_    37     1.09487   108.09789    41.88723
   35    30 S   CO3  _C3_    29     1.52952   114.08219   174.33050
   36    35 S   O2Z  _O31    30     1.26376   116.07389     0.15826
   37    35 S   O2Z  _O32    31     1.26431   114.40616  -179.80617
   38    33 S   CM   _C18    38     1.50903   108.67329   -80.61024
   39    38 S   HC   _H17    39     1.09132   115.20851   -59.66419
   40    33 S   CT   _C20    80     1.52700   108.83449   159.12203
   41    40 S   HC   _H18    81     1.09661   112.25993    60.82569
   42    40 S   HC   _H19    82     1.09634   110.45230  -179.39737
   43    40 S   HC   _H20    83     1.09599   111.20676   -60.49195
   44    38 S   CMA  _C17    40     1.35397   127.00784   119.44368
   45    44 S   OM   _O37    41     1.26695   126.17805     2.40078
   46    44 S   OS   _O36    42     1.41955   109.74984  -178.89518
   47    46 S   CT   _C12    43     1.44026   114.80771   131.04556
   48    47 S   HC   _H4_    44     1.09219   109.73660    47.14834
   49    47 S   CT   _C13    45     1.55732   109.56439   -75.47229
   50    49 S   HC   _H13    46     1.09451   111.56102   120.92993
   51    49 S   HC   _H14    47     1.09531   110.57073     0.58617
   52    49 S   CT   _C14    48     1.53429   105.18094  -117.25579
   53    52 S   HC   _H5_    49     1.09356   111.68478   149.23181
   54    52 S   C3T  _C15    50     1.48669   102.72259    26.69189
   55    52 S   OS   _O35    67     1.43207   112.15398   -89.20841
   56    54 S   C3T  _C16    51     1.50938   124.86336   149.37184
   57    56 S   HC   _H15    52     1.08258   118.29587     7.42286
   58    56 S   HC   _H16    53     1.08155   119.34975   155.09653
   59    47 S   CT   _C11    55     1.58758   109.72418   169.26012
   60    54 S   O3T  _O34    54     1.43622   114.31924    82.29387
   61    59 S   CT   _C8_    56     1.60431   110.51530  -158.10266
   62    59 S   CT   _C21    76     1.53409   112.41184   -30.36494
   63    62 S   HC   _H21    77     1.09369   111.99121   179.31901
   64    62 S   HC   _H22    78     1.09564   112.03187    60.36910
   65    62 S   HC   _H23    79     1.09436   111.32142   -59.49395
   66    61 S   CT   _C9_    57     1.55255   111.42819  -172.05834
   67    66 S   HC   _H11    58     1.09342   112.17567    52.50542
   68    66 S   HC   _H12    59     1.09593   110.25657   -67.60575
   69    61 S   CT   _C22    72     1.55454   110.85291    68.57070
   70    69 S   HC   _H24    73     1.09283   112.39002   -58.47764
   71    69 S   HC   _H25    74     1.09507   112.16605  -178.04866
   72    69 S   HC   _H26    75     1.09484   111.39018    62.51664
   73    66 S   CO4  _C10    60     1.51670   113.48484   172.12508
   74    73 S   O    _O33    61     1.23062   120.89337   147.70349
   75    73 S   CM   _C5_    62     1.48966   118.57298   -35.72327
   76    75 S   CM   _C6_    63     1.34038   118.65346     6.86858
   77    76 S   HC   _H10    64     1.08832   118.78981  -177.96231
   78    75 S   CT   _C4_    68     1.49546   117.74338  -172.24511
   79    78 S   HC   _H7_    69     1.09489   110.44126   -61.35504
   80    78 S   HC   _H8_    70     1.09514   111.93848   178.71824
   81    78 S   HC   _H9_    71     1.09490   110.48065    58.77515
   82    61 S   CT   _C7_    65     1.56589   109.27610   -52.25474
   83    82 S   HC   _H3_    66     1.09727   109.12929    77.50344
  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
  10   7   2   1   1   9   4   4   2   1   1   6   2  10  19   8
  12   6   5  13   6  14  11   6   3   2  17   2  18   6   2   1
   1  13   6   5   7   3   2   1   9   3   8   7   3   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    46    40    41    42    43  
   38    39    44    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    46    47    40    41    42    43  
   44    45    46    40  
   41    42    43    44  
   42    43  
   43  
    0  
   45    46    47    48    49    59  
   46    47  
   47    48    49    50    51    52    54    59    61    62  
   48    49    50    51    52    53    54    56    60    59    61    66    82    55    69    62    63    64    65  
   49    50    51    52    54    59    61    62  
   50    51    52    53    54    56    60    59    61    82    55    62  
   51    52    53    54    59    55  
   52    53    54    59    55  
   53    54    56    57    58    60    59    61    76    82    83    55    62  
   54    56    60    59    82    55  
   56    57    58    60    59    61    66    82    55    69    62    63    64    65  
   69    56    59    60    61    66    75    76    77    82    83  
   57    58    60    59    61    62  
   58    60    59  
   60    59  
   61    66    67    68    73    76    82    83    69    70    71    72    62    63    64    65    60  
   61    62  
   66    67    68    73    74    75    76    77    82    83    69    70    71    72    62    63    64    65  
   63    64    65    66    69    82  
   64    65  
   65  
    0  
   67    68    73    74    75    76    82    83    78    69    70    71    72  
   68    73    74    75    82    69  
   73    74    75    82    69  
   70    71    72    73    76    82    83  
   71    72    82  
   72    82  
   82  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    78    79    80    81  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    44   465.000  1.376
   44    45   745.000  1.250
   44    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    59   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    56   260.000  1.509
   54    60   335.000  1.432
   54    59   275.000  1.510
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    60   335.000  1.432
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    66   268.000  1.529
   61    82   268.000  1.529
   61    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   317.000  1.522
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    55   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    44    45    65.00000  137.10300
   38    44    46    80.00000  120.01400
   44    38    39    40.00000  120.50800
   44    46    47    90.00000  111.18400
   46    44    45    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    59    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    59    54    70.00000  112.37300
   47    59    61    58.35000  112.70000
   47    59    62    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    70.00000  112.37300
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    56    60.00000  120.94000
   52    54    60    80.00000  116.47100
   52    54    59    58.35000  112.70000
   52    55    82    60.00000  109.50000
   54    52    53    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    58    37.50000  117.20000
   54    56    60    15.00000   60.43100
   54    60    56    15.00000   59.14900
   54    59    61    70.00000  112.37300
   54    59    62    70.00000  112.37300
   58    56    57    35.00000  114.30000
   60    54    56    15.00000   60.43100
   60    56    57    50.00000  114.27700
   60    56    58    50.00000  114.27700
   59    47    48    37.50000  110.70000
   59    47    49    58.35000  112.70000
   59    54    56    60.00000  120.94000
   59    54    60    80.00000  116.47100
   59    61    66    58.35000  112.70000
   59    61    82    58.35000  112.70000
   59    61    69    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    73    63.00000  111.10000
   61    82    76    70.00000  112.02700
   61    82    83    37.50000  110.70000
   61    82    55    50.00000  109.50000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   66    73    74    80.00000  120.40000
   66    73    75    65.00000  118.62400
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    55    85.00000  110.90400
   82    61    66    58.35000  112.70000
   82    76    77    35.00000  117.00000
   55    52    53    35.00000  109.50000
   55    52    54    50.00000  109.50000
   55    82    83    35.00000  109.50000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   69    61    66    58.35000  112.70000
   69    61    82    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   62    59    61    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    46    47  -2.26850  1.0 1.0
   38    44    46    47   3.39050 -1.0 2.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.08050  1.0 3.0
   44    46    47    49  -0.46850  1.0 1.0
   44    46    47    49   0.09300 -1.0 2.0
   44    46    47    49  -0.12850  1.0 3.0
   44    46    47    59  -0.46850  1.0 1.0
   44    46    47    59   0.09300 -1.0 2.0
   44    46    47    59  -0.12850  1.0 3.0
   45    44    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    52   0.62750  1.0 1.0
   46    47    49    52  -0.30950 -1.0 2.0
   46    47    49    52   0.27300  1.0 3.0
   46    47    59    54  -0.26800  1.0 1.0
   46    47    59    54   0.69150 -1.0 2.0
   46    47    59    54  -0.48750  1.0 3.0
   46    47    59    61   0.62750  1.0 1.0
   46    47    59    61  -0.30950 -1.0 2.0
   46    47    59    61   0.27300  1.0 3.0
   46    47    59    62   0.62750  1.0 1.0
   46    47    59    62  -0.30950 -1.0 2.0
   46    47    59    62   0.27300  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49   -52    54   0.47050  1.0 1.0
   47    49   -52    54   0.03900 -1.0 2.0
   47    49   -52    54   0.20100  1.0 3.0
   47    49    52    55   0.62750  1.0 1.0
   47    49    52    55  -0.30950 -1.0 2.0
   47    49    52    55   0.27300  1.0 3.0
   47    59    61    66   0.56750  1.0 1.0
   47    59    61    66  -0.07550 -1.0 2.0
   47    59    61    66   0.20000  1.0 3.0
   47    59    61    82   0.56750  1.0 1.0
   47    59    61    82  -0.07550 -1.0 2.0
   47    59    61    82   0.20000  1.0 3.0
   47    59    61    69   0.56750  1.0 1.0
   47    59    61    69  -0.07550 -1.0 2.0
   47    59    61    69   0.20000  1.0 3.0
   47    59    62    63   0.15000  1.0 3.0
   47    59    62    64   0.15000  1.0 3.0
   47    59    62    65   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    59    54   0.15000  1.0 3.0
   48    47    59    61   0.15000  1.0 3.0
   48    47    59    62   0.15000  1.0 3.0
   49    47   -59    54   0.47050  1.0 1.0
   49    47   -59    54   0.03900 -1.0 2.0
   49    47   -59    54   0.20100  1.0 3.0
   49    47    59    61   0.56750  1.0 1.0
   49    47    59    61  -0.07550 -1.0 2.0
   49    47    59    61   0.20000  1.0 3.0
   49    47    59    62   0.56750  1.0 1.0
   49    47    59    62  -0.07550 -1.0 2.0
   49    47    59    62   0.20000  1.0 3.0
   49    52    54    56   0.07850  1.0 1.0
   49    52    54    56  -0.03950 -1.0 2.0
   49    52    54    56   0.67350  1.0 3.0
   49    52    54    60   0.02550  1.0 1.0
   49    52    54    60  -0.02600 -1.0 2.0
   49    52    54    60   1.20400  1.0 3.0
   49    52   -54    59   0.56750  1.0 1.0
   49    52   -54    59  -0.07550 -1.0 2.0
   49    52   -54    59   0.20000  1.0 3.0
   49    52    55    82   0.06250  1.0 1.0
   49    52    55    82  -0.01100 -1.0 2.0
   49    52    55    82   0.28050  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.23400  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.23400  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54   -56    60   0.02550  1.0 1.0
   52    54   -56    60  -0.02600 -1.0 2.0
   52    54   -56    60   1.20400  1.0 3.0
   52    54   -60    56   0.06250  1.0 1.0
   52    54   -60    56  -0.01100 -1.0 2.0
   52    54   -60    56   0.28050  1.0 3.0
   52    54   -59    47   0.56750  1.0 1.0
   52    54   -59    47  -0.07550 -1.0 2.0
   52    54   -59    47   0.20000  1.0 3.0
   52    54    59    61   0.56750  1.0 1.0
   52    54    59    61  -0.07550 -1.0 2.0
   52    54    59    61   0.20000  1.0 3.0
   52    54    59    62   0.56750  1.0 1.0
   52    54    59    62  -0.07550 -1.0 2.0
   52    54    59    62   0.20000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    60   0.23400  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    55    82   0.37050  1.0 3.0
   54    52    55    82   0.06250  1.0 1.0
   54    52    55    82  -0.01100 -1.0 2.0
   54    52    55    82   0.28050  1.0 3.0
   54    59    61    66   0.47050  1.0 1.0
   54    59    61    66   0.03900 -1.0 2.0
   54    59    61    66   0.20100  1.0 3.0
   54    59   -61    82   0.47050  1.0 1.0
   54    59   -61    82   0.03900 -1.0 2.0
   54    59   -61    82   0.20100  1.0 3.0
   54    59    61    69   0.47050  1.0 1.0
   54    59    61    69   0.03900 -1.0 2.0
   54    59    61    69   0.20100  1.0 3.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59    62    65   0.15000  1.0 3.0
   56    54    59    47   0.07850  1.0 1.0
   56    54    59    47  -0.03950 -1.0 2.0
   56    54    59    47   0.67350  1.0 3.0
   56    54    59    61   0.07850  1.0 1.0
   56    54    59    61  -0.03950 -1.0 2.0
   56    54    59    61   0.67350  1.0 3.0
   56    54    59    62   0.07850  1.0 1.0
   56    54    59    62  -0.03950 -1.0 2.0
   56    54    59    62   0.67350  1.0 3.0
   57    56   -60    54   0.36800  1.0 3.0
   58    56   -60    54   0.36800  1.0 3.0
   60    54   -56    57   0.23400  1.0 3.0
   60    54   -56    58   0.23400  1.0 3.0
   60    54    59    47   0.02550  1.0 1.0
   60    54    59    47  -0.02600 -1.0 2.0
   60    54    59    47   1.20400  1.0 3.0
   60    54    59    61   0.02550  1.0 1.0
   60    54    59    61  -0.02600 -1.0 2.0
   60    54    59    61   1.20400  1.0 3.0
   60    54    59    62   0.02550  1.0 1.0
   60    54    59    62  -0.02600 -1.0 2.0
   60    54    59    62   1.20400  1.0 3.0
   59    47    49    50   0.15000  1.0 3.0
   59    47    49    51   0.15000  1.0 3.0
   59    47   -49    52   0.56750  1.0 1.0
   59    47   -49    52  -0.07550 -1.0 2.0
   59    47   -49    52   0.20000  1.0 3.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54   -56    60   0.02550  1.0 1.0
   59    54   -56    60  -0.02600 -1.0 2.0
   59    54   -56    60   1.20400  1.0 3.0
   59    54   -60    56   0.06250  1.0 1.0
   59    54   -60    56  -0.01100 -1.0 2.0
   59    54   -60    56   0.28050  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    68   0.15000  1.0 3.0
   59    61    66    73  -0.95700  1.0 1.0
   59    61    66    73  -0.18200 -1.0 2.0
   59    61    66    73   0.29450  1.0 3.0
   59    61    82    76   0.34400  1.0 1.0
   59    61    82    76   0.09450 -1.0 2.0
   59    61    82    76   0.11100  1.0 3.0
   59    61    82    83   0.15000  1.0 3.0
   59    61    82    55   0.62750  1.0 1.0
   59    61    82    55  -0.30950 -1.0 2.0
   59    61    82    55   0.27300  1.0 3.0
   59    61    69    70   0.15000  1.0 3.0
   59    61    69    71   0.15000  1.0 3.0
   59    61    69    72   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   61    66    73    74   0.30150 -1.0 2.0
   61    66    73    75   0.65300  1.0 1.0
   61    66    73    75  -0.03850 -1.0 2.0
   61    66    73    75   0.33900  1.0 3.0
   61    82   -55    52   0.06250  1.0 1.0
   61    82   -55    52  -0.01100 -1.0 2.0
   61    82   -55    52   0.28050  1.0 3.0
   66    61    82    76   0.34400  1.0 1.0
   66    61    82    76   0.09450 -1.0 2.0
   66    61    82    76   0.11100  1.0 3.0
   66    61    82    83   0.15000  1.0 3.0
   66    61    82    55   0.62750  1.0 1.0
   66    61    82    55  -0.30950 -1.0 2.0
   66    61    82    55   0.27300  1.0 3.0
   66    61    69    70   0.15000  1.0 3.0
   66    61    69    71   0.15000  1.0 3.0
   66    61    69    72   0.15000  1.0 3.0
   66    73   -75    76  -0.33500  1.0 1.0
   66    73   -75    76   1.06600 -1.0 2.0
   66    73   -75    76  -0.14000  1.0 3.0
   66    73    75    78   0.25700  1.0 1.0
   66    73    75    78   0.66200 -1.0 2.0
   66    73    75    78   0.04450  1.0 3.0
   67    66    73    74   0.00000  1.0 1.0
   67    66    73    75   0.00000  1.0 1.0
   68    66    73    74   0.00000  1.0 1.0
   68    66    73    75   0.00000  1.0 1.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76   -82    61   0.09850  1.0 1.0
   75    76   -82    61   0.15250 -1.0 2.0
   75    76   -82    61  -0.50650  1.0 3.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    55   0.39000  1.0 1.0
   75    76    82    55  -0.05800 -1.0 2.0
   75    76    82    55  -0.55150  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   76    82    55    52  -0.77900  1.0 1.0
   76    82    55    52  -0.36900 -1.0 2.0
   76    82    55    52   0.40400  1.0 3.0
   77    76    82    61   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    55   0.00000  1.0 1.0
   82    61    66    67   0.15000  1.0 3.0
   82    61    66    68   0.15000  1.0 3.0
   82    61   -66    73  -0.95700  1.0 1.0
   82    61   -66    73  -0.18200 -1.0 2.0
   82    61   -66    73   0.29450  1.0 3.0
   82    61    69    70   0.15000  1.0 3.0
   82    61    69    71   0.15000  1.0 3.0
   82    61    69    72   0.15000  1.0 3.0
   83    82    55    52   0.37050  1.0 3.0
   55    52    54    56  -0.26800  1.0 1.0
   55    52    54    56   0.69150 -1.0 2.0
   55    52    54    56  -0.48750  1.0 3.0
   55    52    54    60   1.11900  1.0 1.0
   55    52    54    60  -1.16350 -1.0 2.0
   55    52    54    60  -0.34150  1.0 3.0
   55    52   -54    59   0.62750  1.0 1.0
   55    52   -54    59  -0.30950 -1.0 2.0
   55    52   -54    59   0.27300  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   69    61    66    67   0.15000  1.0 3.0
   69    61    66    68   0.15000  1.0 3.0
   69    61    66    73  -0.95700  1.0 1.0
   69    61    66    73  -0.18200 -1.0 2.0
   69    61    66    73   0.29450  1.0 3.0
   69    61    82    76   0.34400  1.0 1.0
   69    61    82    76   0.09450 -1.0 2.0
   69    61    82    76   0.11100  1.0 3.0
   69    61    82    83   0.15000  1.0 3.0
   69    61    82    55   0.62750  1.0 1.0
   69    61    82    55  -0.30950 -1.0 2.0
   69    61    82    55   0.27300  1.0 3.0
   62    59    61    66   0.56750  1.0 1.0
   62    59    61    66  -0.07550 -1.0 2.0
   62    59    61    66   0.20000  1.0 3.0
   62    59    61    82   0.56750  1.0 1.0
   62    59    61    82  -0.07550 -1.0 2.0
   62    59    61    82   0.20000  1.0 3.0
   62    59    61    69   0.56750  1.0 1.0
   62    59    61    69  -0.07550 -1.0 2.0
   62    59    61    69   0.20000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    44   0.09850  1.0 1.0
   40    33    38    44   0.15250 -1.0 2.0
   40    33    38    44  -0.50650  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
   66    75    73    74  10.50000 -1.0 2.0
   73    78    75    76   1.10000 -1.0 2.0
   82    77    76    75   1.10000 -1.0 2.0
END
