* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    259     496
    1     0 S   NP   _N1_     1    28.34178    97.69847   -21.29817
    2     1 S   H    _HN1     2     1.02778    87.90193   -78.61676
    3     1 S   H    _H1_     3     1.02959    72.42460    31.36610
    4     1 S   H    _H2_     4     1.02835    48.47825   165.07120
    5     1 S   CT   _CA1     5     1.50122   156.29094   132.16630
    6     5 S   HC   _HA1     6     1.09576   105.21966    84.89896
    7     5 S   CO3  _C1_     7     1.53779   112.41744   -35.28955
    8     7 S   O2Z  _O11     8     1.26359   115.00107   -43.21520
    9     7 S   O2Z  _O12     9     1.26240   114.92171   135.95961
   10     5 S   CT   _CB1    10     1.53096   107.42589  -157.20013
   11    10 S   HC   HB11    11     1.09826   109.29502   -50.82963
   12    10 S   HC   HB12    12     1.09818   110.42655    65.71078
   13    10 S   CT   _CG1    13     1.53015   112.69520  -171.93360
   14    13 S   HC   HG11    14     1.09595   110.45906   -64.59370
   15    13 S   HC   HG12    15     1.09657   109.95330    54.62767
   16    13 S   C    _CD1    16     1.51827   112.33269   174.95849
   17    16 S   O    _OE1    17     1.22716   123.24957    -0.99858
   18    16 S   N    _N2_    18     1.38626   111.64029   179.34270
   19    18 S   H    _HN2    19     1.01568   118.99641     1.66613
   20    18 S   CT1  _CA2    20     1.46209   123.46376   179.48376
   21    20 S   HC   _HA2    21     1.09739   109.45832    -0.57743
   22    20 S   C    _C2_    22     1.53484   108.35665  -116.16570
   23    22 S   O    _O2_    23     1.23031   122.26889  -143.25965
   24    20 S   CT   _CB2    32     1.53297   111.51031   121.44818
   25    24 S   HC   HB21    33     1.09532   110.17202    55.82743
   26    24 S   HC   HB22    34     1.09520   110.01795   174.86187
   27    22 S   N    _N3_    24     1.38519   113.48392    43.94311
   28    27 S   H    _HN3    25     1.01490   119.01290    -0.22117
   29    24 S   S    _SG2    35     1.82644   111.67597   -65.50660
   30    27 S   CT   _CA3    26     1.45446   123.39858   175.27250
   31    30 S   HC   HA31    27     1.09524   109.25559    24.86671
   32    30 S   HC   HA32    28     1.09499   107.13859   141.85775
   33    29 S   CT   _C20    36     1.85114    99.17909  -179.06602
   34    33 S   HC   _H8_    37     1.09625   108.52797    27.56023
   35    30 S   CO3  _C3_    29     1.52911   113.00966   -98.61780
   36    35 S   O2Z  _O31    30     1.26408   115.33948   -46.83249
   37    35 S   O2Z  _O32    31     1.26346   115.03089   134.07161
   38    33 S   CM   _C7_    38     1.54107   107.62702   144.80270
   39    33 S   CT   _C21    84     1.53097   107.09795   -86.56675
   40    39 S   HC   _H27    85     1.09558   112.83766   -54.70995
   41    39 S   HC   _H28    86     1.09060   111.44499  -176.29139
   42    39 S   HC   _H29    87     1.09626   110.86961    65.45630
   43    38 S   CMA  _C8_    39     1.37384   121.18128   -76.76362
   44    43 S   OM   _O38    40     1.27025   125.35625   170.47893
   45    38 S   CT   _C6_    67     1.52903   117.87652   101.51734
   46    45 S   HC   _H12    68     1.09987   106.92870  -116.59654
   47    45 S   HC   _H13    69     1.09309   111.37485    -3.81177
   48    43 S   OS   _O33    41     1.41845   110.95984   -11.03631
   49    48 S   CT   _C9_    42     1.42205   117.63802  -174.17637
   50    49 S   HC   _H4_    43     1.09807   110.75157   -44.31498
   51    49 S   CT   _C10    44     1.55149   107.75909  -161.04885
   52    51 S   HC   _H14    45     1.09542   111.12596   112.44751
   53    51 S   HC   _H15    46     1.09715   110.87658    -7.23408
   54    51 S   CT   _C11    47     1.53006   106.11877  -127.28353
   55    54 S   HC   _H16    48     1.09376   111.76892   149.10150
   56    54 S   HC   _H17    49     1.09673   110.41693   -89.39728
   57    54 S   NTH0 _N4_    50     1.44542   100.40719    29.36096
   58    57 S   CT   _C19    51     1.45150   119.15845  -165.18886
   59    58 S   HC   _H24    52     1.09628   112.78427    32.87928
   60    58 S   HC   _H25    53     1.09423   110.03597   -88.95810
   61    58 S   CT   _C18    54     1.54427   102.49000   152.88265
   62    61 S   HC   _H7_    55     1.09442   112.17689   120.70370
   63    61 S   CT   _C13    56     1.56045   106.19508    -3.22100
   64    63 S   HC   _H6_    57     1.09669   110.80617  -141.44281
   65    61 S   OH   _O37    82     1.42828   109.31730  -120.14895
   66    65 S   HO   _H26    83     0.97241   107.37806   -63.02235
   67    63 S   CT   _C14    58     1.54000   109.77535    96.43447
   68    67 S   HC   _H18    59     1.09482   112.27212   -99.92461
   69    67 S   HC   _H19    60     1.09556   111.14758    21.42173
   70    49 S   CT   _C12    80     1.52894   116.56849    83.76692
   71    70 S   HC   _H5_    81     1.10374   105.57700  -151.50550
   72    67 S   OS   _O34    61     1.44376   108.76973   138.21789
   73    72 S   CO4  _C15    62     1.36372   115.60477   172.80803
   74    73 S   O    _O35    63     1.22667   124.83950     5.16407
   75    73 S   CT   _C16    64     1.53483   111.52736  -177.42854
   76    75 S   CT   _C5_    65     1.56036   114.53492    51.23433
   77    76 S   HC   _H3_    66     1.09531   107.73263   -62.11293
   78    75 S   CT   _C17    74     1.53660   106.54017   -73.74141
   79    78 S   HC   _H20    75     1.09496   111.72462  -163.67827
   80    78 S   HC   _H21    76     1.09508   111.59973    73.89924
   81    78 S   HC   _H22    77     1.09714   110.84243   -45.95840
   82    75 S   OH   _O36    78     1.42960   107.48237   171.66846
   83    82 S   HO   _H23    79     0.97301   107.95212    56.24407
   84    76 S   CT   _C4_    70     1.54267   111.59069  -177.81932
   85    84 S   HC   _H9_    71     1.09486   111.59832   -59.60523
   86    84 S   HC   _H10    72     1.09579   110.72236  -179.70926
   87    84 S   HC   _H11    73     1.09392   111.52674    61.79800
  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
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  15   8  10   6   5  10   4   3  11  11   6   5  11   6  10   7
   3   1   8   4   3   2   1   6  11   4  12  11   6   6   3   2
   1   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    76    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    75    76    77    45    46    47    84    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    76    45    46    47    70  
   48    49    45  
   46    47    84    85    86    87    78    82    48    73    75    76    77  
   47    84    75    76    77  
   84    75    76    77  
   49    50    51    52    53    54    57    63    70    71  
   50    51    52    53    54    55    56    57    58    61    63    64    67    70    71  
   51    52    53    54    57    63    70    71  
   52    53    54    55    56    57    58    63    70    71  
   53    54    55    56    57    70  
   54    55    56    57    70  
   55    56    57    58    59    60    61    63    70    71  
   56    57    58    70  
   57    58    70  
   58    59    60    61    62    63    64    67    70    71    65  
   59    60    61    62    63    64    67    70    71    65    66  
   60    61    62    63    70    65  
   61    62    63    70    65  
   62    63    64    67    68    69    72    70    71    65    66  
   63    64    67    70    65    66  
   64    67    68    69    72    73    70    71    65    66  
   67    68    69    72    70    71    65  
   66    67    70  
    0  
   68    69    72    73    74    75    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76    78    82  
   74    75    76    77    84    78    79    80    81    82    83  
   75    76    78    82  
   76    77    84    85    86    87    78    79    80    81    82    83  
   77    84    85    86    87    78    79    80    81    82    83  
   84    85    86    87    78    82  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   85    86    87  
   86    87  
   87  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    70   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   310.000  1.447
   57    58   310.000  1.447
   57    70   310.000  1.447
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   268.000  1.529
   75    78   268.000  1.529
   75    82   320.000  1.410
   76    77   340.000  1.090
   76    45   268.000  1.529
   76    84   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   70    71   340.000  1.090
   65    66   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    76    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    70    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    70    57    75.00000  113.73300
   49    70    63    58.35000  112.70000
   49    70    71    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    75.00000  113.73300
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    80.00000  110.40700
   54    57    70    80.00000  110.40700
   56    54    55    33.00000  107.80000
   57    54    55    50.00000  110.15500
   57    54    56    50.00000  110.15500
   57    58    59    50.00000  110.15500
   57    58    60    50.00000  110.15500
   57    58    61    75.00000  113.73300
   57    70    63    75.00000  113.73300
   57    70    71    50.00000  110.15500
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    65    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    70    58.35000  112.70000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    50.00000  109.50000
   63    70    71    37.50000  110.70000
   67    63    64    37.50000  110.70000
   67    72    73    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    63.00000  111.10000
   73    75    78    63.00000  111.10000
   73    75    82    90.00000  109.61100
   75    73    74    80.00000  120.40000
   75    76    77    37.50000  110.70000
   75    76    45    58.35000  112.70000
   75    76    84    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    55.00000  108.50000
   76    45    46    37.50000  110.70000
   76    45    47    37.50000  110.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    76    77    37.50000  110.70000
   47    45    46    33.00000  107.80000
   84    76    77    37.50000  110.70000
   84    76    45    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    75    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    50.00000  109.50000
   82    75    78    50.00000  109.50000
   70    49    50    37.50000  110.70000
   70    49    51    58.35000  112.70000
   70    57    58    80.00000  110.40700
   70    63    64    37.50000  110.70000
   70    63    67    58.35000  112.70000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    76   0.46850  1.0 1.0
   33    38    45    76   0.08550 -1.0 2.0
   33    38    45    76   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    76   0.09850  1.0 1.0
   43    38    45    76   0.15250 -1.0 2.0
   43    38    45    76  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    70  -0.46850  1.0 1.0
   43    48    49    70   0.09300 -1.0 2.0
   43    48    49    70  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    70    57   0.63850  1.0 1.0
   48    49    70    57   0.02700 -1.0 2.0
   48    49    70    63   0.62750  1.0 1.0
   48    49    70    63  -0.30950 -1.0 2.0
   48    49    70    63   0.27300  1.0 3.0
   48    49    70    71   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.53400  1.0 1.0
   49    51   -54    57  -0.09950 -1.0 2.0
   49    51   -54    57   0.05700  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    70    57   0.15000  1.0 3.0
   50    49    70    63   0.15000  1.0 3.0
   50    49    70    71   0.15000  1.0 3.0
   51    49   -70    57   1.53400  1.0 1.0
   51    49   -70    57  -0.09950 -1.0 2.0
   51    49   -70    57   0.05700  1.0 3.0
   51    49    70    63   0.56750  1.0 1.0
   51    49    70    63  -0.07550 -1.0 2.0
   51    49    70    63   0.20000  1.0 3.0
   51    49    70    71   0.15000  1.0 3.0
   51    54    57    58   1.99000  1.0 1.0
   51    54    57    58   0.18800 -1.0 2.0
   51    54    57    58   0.81350  1.0 3.0
   51    54   -57    70   1.99000  1.0 1.0
   51    54   -57    70   0.18800 -1.0 2.0
   51    54   -57    70   0.81350  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    58    59   0.28000  1.0 3.0
   54    57    58    60   0.28000  1.0 3.0
   54    57    58    61   1.99000  1.0 1.0
   54    57    58    61   0.18800 -1.0 2.0
   54    57    58    61   0.81350  1.0 3.0
   54    57   -70    49   1.99000  1.0 1.0
   54    57   -70    49   0.18800 -1.0 2.0
   54    57   -70    49   0.81350  1.0 3.0
   54    57    70    63   1.99000  1.0 1.0
   54    57    70    63   0.18800 -1.0 2.0
   54    57    70    63   0.81350  1.0 3.0
   54    57    70    71   0.28000  1.0 3.0
   55    54    57    58   0.28000  1.0 3.0
   55    54    57    70   0.28000  1.0 3.0
   56    54    57    58   0.28000  1.0 3.0
   56    54    57    70   0.28000  1.0 3.0
   57    58    61    62   0.15000  1.0 3.0
   57    58   -61    63   1.53400  1.0 1.0
   57    58   -61    63  -0.09950 -1.0 2.0
   57    58   -61    63   0.05700  1.0 3.0
   57    58    61    65   3.18500  1.0 1.0
   58    57    70    49   1.99000  1.0 1.0
   58    57    70    49   0.18800 -1.0 2.0
   58    57    70    49   0.81350  1.0 3.0
   58    57   -70    63   1.99000  1.0 1.0
   58    57   -70    63   0.18800 -1.0 2.0
   58    57   -70    63   0.81350  1.0 3.0
   58    57    70    71   0.28000  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    67   0.56750  1.0 1.0
   58    61    63    67  -0.07550 -1.0 2.0
   58    61    63    67   0.20000  1.0 3.0
   58    61   -63    70   0.56750  1.0 1.0
   58    61   -63    70  -0.07550 -1.0 2.0
   58    61   -63    70   0.20000  1.0 3.0
   58    61    65    66  -0.11600  1.0 1.0
   58    61    65    66  -0.09450 -1.0 2.0
   58    61    65    66   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    65   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    65   0.23400  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63    67    69   0.15000  1.0 3.0
   61    63    67    72   0.62750  1.0 1.0
   61    63    67    72  -0.30950 -1.0 2.0
   61    63    67    72   0.27300  1.0 3.0
   61    63    70    49   0.56750  1.0 1.0
   61    63    70    49  -0.07550 -1.0 2.0
   61    63    70    49   0.20000  1.0 3.0
   61    63   -70    57   1.53400  1.0 1.0
   61    63   -70    57  -0.09950 -1.0 2.0
   61    63   -70    57   0.05700  1.0 3.0
   61    63    70    71   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    70   0.15000  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    72    73  -0.25900  1.0 1.0
   63    67    72    73  -0.47000 -1.0 2.0
   63    67    72    73   0.11750  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   64    63    70    49   0.15000  1.0 3.0
   64    63    70    57   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   67    63    70    49   0.56750  1.0 1.0
   67    63    70    49  -0.07550 -1.0 2.0
   67    63    70    49   0.20000  1.0 3.0
   67    63    70    57   1.53400  1.0 1.0
   67    63    70    57  -0.09950 -1.0 2.0
   67    63    70    57   0.05700  1.0 3.0
   67    63    70    71   0.15000  1.0 3.0
   67    72    73    74   3.00000 -1.0 2.0
   67    72    73    75   1.63150  1.0 1.0
   67    72    73    75   2.92000 -1.0 2.0
   68    67    72    73   0.08050  1.0 3.0
   69    67    72    73   0.08050  1.0 3.0
   72    73    75    76   0.36750  1.0 3.0
   72    73    75    78   0.36750  1.0 3.0
   72    73    75    82   0.30750  1.0 1.0
   72    73    75    82   1.13850 -1.0 2.0
   72    73    75    82   0.38850  1.0 3.0
   73    75    76    77  -0.11250  1.0 3.0
   73    75    76    45  -0.95700  1.0 1.0
   73    75    76    45  -0.18200 -1.0 2.0
   73    75    76    45   0.29450  1.0 3.0
   73    75    76    84  -0.95700  1.0 1.0
   73    75    76    84  -0.18200 -1.0 2.0
   73    75    76    84   0.29450  1.0 3.0
   73    75    78    79  -0.11250  1.0 3.0
   73    75    78    80  -0.11250  1.0 3.0
   73    75    78    81  -0.11250  1.0 3.0
   73    75    82    83   0.91850  1.0 1.0
   73    75    82    83   0.57950  1.0 3.0
   74    73    75    76   0.30150 -1.0 2.0
   74    73    75    78   0.30150 -1.0 2.0
   74    73    75    82   0.30150 -1.0 2.0
   75    76    45    38   0.34400  1.0 1.0
   75    76    45    38   0.09450 -1.0 2.0
   75    76    45    38   0.11100  1.0 3.0
   75    76    45    46   0.15000  1.0 3.0
   75    76    45    47   0.15000  1.0 3.0
   75    76    84    85   0.15000  1.0 3.0
   75    76    84    86   0.15000  1.0 3.0
   75    76    84    87   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   76    75    82    83  -0.11600  1.0 1.0
   76    75    82    83  -0.09450 -1.0 2.0
   76    75    82    83   0.21250  1.0 3.0
   77    76    45    38   0.15000  1.0 3.0
   77    76    45    46   0.15000  1.0 3.0
   77    76    45    47   0.15000  1.0 3.0
   77    76    84    85   0.15000  1.0 3.0
   77    76    84    86   0.15000  1.0 3.0
   77    76    84    87   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    76    84    85   0.15000  1.0 3.0
   45    76    84    86   0.15000  1.0 3.0
   45    76    84    87   0.15000  1.0 3.0
   84    76    45    38   0.34400  1.0 1.0
   84    76    45    38   0.09450 -1.0 2.0
   84    76    45    38   0.11100  1.0 3.0
   84    76    45    46   0.15000  1.0 3.0
   84    76    45    47   0.15000  1.0 3.0
   78    75    76    77   0.15000  1.0 3.0
   78    75    76    45   0.56750  1.0 1.0
   78    75    76    45  -0.07550 -1.0 2.0
   78    75    76    45   0.20000  1.0 3.0
   78    75    76    84   0.56750  1.0 1.0
   78    75    76    84  -0.07550 -1.0 2.0
   78    75    76    84   0.20000  1.0 3.0
   78    75    82    83  -0.11600  1.0 1.0
   78    75    82    83  -0.09450 -1.0 2.0
   78    75    82    83   0.21250  1.0 3.0
   82    75    76    77   0.23400  1.0 3.0
   82    75    76    45   0.86500  1.0 1.0
   82    75    76    45  -0.17500 -1.0 2.0
   82    75    76    45   0.20800  1.0 3.0
   82    75    76    84   0.86500  1.0 1.0
   82    75    76    84  -0.17500 -1.0 2.0
   82    75    76    84   0.20800  1.0 3.0
   82    75    78    79   0.23400  1.0 3.0
   82    75    78    80   0.23400  1.0 3.0
   82    75    78    81   0.23400  1.0 3.0
   70    49    51    52   0.15000  1.0 3.0
   70    49    51    53   0.15000  1.0 3.0
   70    49   -51    54   0.56750  1.0 1.0
   70    49   -51    54  -0.07550 -1.0 2.0
   70    49   -51    54   0.20000  1.0 3.0
   70    57    58    59   0.28000  1.0 3.0
   70    57    58    60   0.28000  1.0 3.0
   70    57   -58    61   1.99000  1.0 1.0
   70    57   -58    61   0.18800 -1.0 2.0
   70    57   -58    61   0.81350  1.0 3.0
   70    63    67    68   0.15000  1.0 3.0
   70    63    67    69   0.15000  1.0 3.0
   70    63    67    72   0.62750  1.0 1.0
   70    63    67    72  -0.30950 -1.0 2.0
   70    63    67    72   0.27300  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    70   0.86500  1.0 1.0
   65    61    63    70  -0.17500 -1.0 2.0
   65    61    63    70   0.20800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
