* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    154    246     448
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047    96.99450   -56.27921
    3     1 S   H    _H1_     3     1.02093    82.49469    51.78605
    4     1 S   H    _H2_     4     1.02157    34.82296  -169.15952
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.82576    98.30327   161.83088
   34    33 S   HC   _H3_    37     1.03596   105.67471   -57.89150
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C15    38     1.51826   109.74115   180.00000
   39    38 S   CT   _C19    39     1.51210   113.10087  -102.33253
   40    39 S   HC   _H38    40     1.11636   107.20779    56.95340
   41    38 S   CMA  _C16    75     1.34293   121.42213    80.97516
   42    41 S   OM   _O24    76     1.26934   124.32570    -3.72494
   43    39 S   CT   _C17    41     1.52836   117.95987   178.31020
   44    43 S   HC   _H34    42     1.08451   110.61443    57.57387
   45    43 S   HC   _H35    43     1.08334   109.56431   -63.10227
   46    39 S   CT   _C21    55     1.54130   109.19726   -58.47478
   47    46 S   HC   _H40    56     1.10189   106.07930   -81.70037
   48    41 S   OS   _O26    77     1.42227   109.90632   176.30255
   49    43 S   CA   _C14    44     1.50111   111.60889   175.62225
   50    46 S   CT   _C22    57     1.55256   111.67088    34.98177
   51    50 S   HC   _H41    58     1.06029   109.03033   -92.61232
   52    48 S   CT   _C24    78     1.42711   115.97938  -179.96574
   53    52 S   HC   _H45    79     1.09323   109.47481  -180.00000
   54    52 S   HC   _H46    80     1.09240   109.56950    59.26342
   55    52 S   HC   _H47    81     1.09253   108.99374   -60.42050
   56    49 S   CA   _C13    45     1.41016   120.91251   163.52866
   57    33 S   OS   _O25    59     1.43782   109.77043    57.09640
   58    50 S   CT   _C23    60     1.52210   115.38860   146.17796
   59    58 S   HC   _H42    61     1.08818   109.73464   -58.03154
   60    58 S   HC   _H43    62     1.08826   109.72809  -177.98870
   61    58 S   HC   _H44    63     1.08842   109.77339    61.98481
   62    56 S   CA   _C11    46     1.39783   120.05232   178.11934
   63    56 S   NB   _N22    74     1.34727   130.99608    -1.80407
   64    62 S   CA   _C8_    47     1.38444   122.56847    -0.24549
   65    64 S   HA   _H32    48     1.08289   122.69453   179.38643
   66    62 S   CA   _C10    64     1.38787   106.89375   179.71538
   67    64 S   CA   _C9_    49     1.38517   115.18014    -0.43386
   68    67 S   HA   _H33    50     1.08523   120.63538   179.35109
   69    66 S   CA   _C6_    65     1.39505   130.49701  -179.86878
   70    69 S   HA   _H30    66     1.08379   122.03423     0.12820
   71    49 S   NAP  _N23    51     1.36207   122.65822   -20.04026
   72    69 S   CA   _C4_    67     1.39709   116.29682  -179.94065
   73    72 S   HA   _H28    68     1.08765   119.27710   179.92087
   74    71 S   CT   _C18    52     1.49613   121.29705     3.99326
   75    74 S   HC   _H36    53     1.09254   107.65966  -142.13121
   76    74 S   HC   _H37    54     1.09285   104.38849   101.32079
   77    72 S   CA   _C5_    69     1.40294   121.45253     0.06853
   78    77 S   HA   _H29    70     1.08736   119.07671  -180.00000
   79    77 S   CA   _C7_    71     1.39883   121.73744    -0.05595
   80    79 S   HA   _H31    72     1.08401   121.61425  -179.92087
   81    66 S   CA   _C12    73     1.40432   106.23668     0.24945
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   2   1   1  15  19   9   9   2  12   5   4  14   8   4
  12  10   6   3   2   1   1  11   5   4   2   1   1  12   8   8
   4   9   5   2   7   4   3   6   3   2   1   1   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    50    51    57    58    41    42    48  
   38    39    50    57    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    74    46    47    50    57    41    42    48    52  
   40    43    44    45    49    56    71    74    75    76    46    47    50    51    57    58    41    42    48  
   43    44    45    49    74    46    47    50    41  
   42    48    52    53    54    55    43    46    57  
   48    52  
   44    45    49    56    62    67    71    74    46    47    50    63  
   45    49    56    71    46  
   49    56    71    46  
   47    50    51    57    58    59    60    61    49    67    71    74    75    76  
   50    51    57    58    71    74    75    76  
   52    53    54    55  
   56    62    64    67    68    71    74    75    76    66    81    63  
   51    57    58    59    60    61    71    74    75    76  
   57    58    59    60    61    74  
   53    54    55  
   54    55  
   55  
    0  
   62    64    65    67    71    74    66    69    79    81    63  
   58    59    60    61    74  
   59    60    61    74  
   60    61  
   61  
    0  
   64    65    67    68    71    66    69    70    72    79    81    63  
   64    66    69    71    77    79    80    81  
   65    67    68    71    74    66    69    81  
   67    68    71    66  
   69    70    72    73    77    79    80    81    67  
   68    71    74    75    76  
   71    74  
   70    72    73    77    78    79    81  
   72    73    77    81  
   74    75    76  
   73    77    78    79    80    81  
   77    78    79  
   75    76  
   76  
    0  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -1.372500   1.8375   1.6250   0.005000000   0.000000000
   64   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.250000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    57   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    56   469.000  1.400
   49    71   485.000  1.342
   56    62   469.000  1.400
   56    63   483.000  1.339
   62    64   469.000  1.400
   62    66   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    68   367.000  1.080
   67    71   485.000  1.342
   71    74   280.000  1.457
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    57   320.000  1.410
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   66    69   469.000  1.400
   66    81   469.000  1.400
   69    70   367.000  1.080
   69    72   469.000  1.400
   72    73   367.000  1.080
   72    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    63   483.000  1.339
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    57    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    57    50    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    70.00000  112.17500
   39    46    74    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    56    70.00000  120.00000
   43    49    71    70.00000  116.21300
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    56    62    63.00000  120.00000
   49    56    63    70.00000  124.00000
   49    71    67    70.00000  123.81700
   49    71    74    70.00000  119.18700
   56    62    64    63.00000  120.00000
   56    62    66    63.00000  120.00000
   56    63    81    70.00000  117.00000
   62    64    65    35.00000  120.00000
   62    64    67    63.00000  120.00000
   62    66    69    63.00000  120.00000
   62    66    81    63.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    70.00000  119.29800
   67    64    65    35.00000  120.00000
   67    71    74    70.00000  119.18700
   71    49    56    70.00000  119.29800
   71    67    68    45.00000  112.84900
   71    74    75    50.00000  106.41000
   71    74    76    50.00000  106.41000
   71    74    46    75.00000  109.47200
   74    46    47    37.50000  110.70000
   74    46    50    58.35000  112.70000
   76    74    75    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    74    75    37.50000  110.70000
   46    74    76    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    57    50.00000  109.50000
   46    50    58    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   57    33    34    35.00000  109.50000
   57    33    38    85.00000  110.90400
   57    50    51    35.00000  109.50000
   58    50    51    37.50000  110.70000
   58    50    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   66    62    64    63.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    72    63.00000  120.00000
   66    81    79    63.00000  120.00000
   66    81    63    70.00000  124.00000
   69    72    73    35.00000  120.00000
   69    72    77    63.00000  120.00000
   72    69    70    35.00000  120.00000
   72    77    78    35.00000  120.00000
   72    77    79    63.00000  120.00000
   77    72    73    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    63    70.00000  124.00000
   81    66    69    63.00000  120.00000
   81    79    80    35.00000  120.00000
   63    56    62    70.00000  124.00000
   41    38    39    70.00000  124.00000
   41    48    52    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50  -0.77900  1.0 1.0
   38    33    57    50  -0.36900 -1.0 2.0
   38    33    57    50   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.21200  1.0 1.0
   38    39    43    49   0.16900 -1.0 2.0
   38    39    43    49  -1.15100  1.0 3.0
   38    39    46    74   0.34400  1.0 1.0
   38    39    46    74   0.09450 -1.0 2.0
   38    39    46    74   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    50   0.34400  1.0 1.0
   38    39   -46    50   0.09450 -1.0 2.0
   38    39   -46    50   0.11100  1.0 3.0
   38    41    48    52  -2.26850  1.0 1.0
   38    41    48    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    56   0.04150 -1.0 2.0
   39    43    49    71   0.29300  1.0 1.0
   39    43    49    71  -1.19700 -1.0 2.0
   39    43    49    71   0.60900  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    57   0.62750  1.0 1.0
   39    46    50    57  -0.30950 -1.0 2.0
   39    46    50    57   0.27300  1.0 3.0
   39    46    50    58   0.56750  1.0 1.0
   39    46    50    58  -0.07550 -1.0 2.0
   39    46    50    58   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.43200  1.0 3.0
   40    39    46    74   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   43    39    46    74   0.56750  1.0 1.0
   43    39    46    74  -0.07550 -1.0 2.0
   43    39    46    74   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    50   0.56750  1.0 1.0
   43    39    46    50  -0.07550 -1.0 2.0
   43    39    46    50   0.20000  1.0 3.0
   43    49    56    62   3.62500 -1.0 2.0
   43    49    56    63   3.62500 -1.0 2.0
   43    49    71    67   3.62500 -1.0 2.0
   43    49   -71    74   3.62500 -1.0 2.0
   44    43    49    56   0.00000  1.0 1.0
   44    43    49    71   0.00000  1.0 1.0
   45    43    49    56   0.00000  1.0 1.0
   45    43    49    71   0.00000  1.0 1.0
   49    56    62    64   3.62500 -1.0 2.0
   49    56    62    66   3.62500 -1.0 2.0
   49    56    63    81   3.62500 -1.0 2.0
   49    71    74    75   0.00000  1.0 1.0
   49    71    74    76   0.00000  1.0 1.0
   49    71    74    46   0.00000  1.0 1.0
   56    49    71    67   3.62500 -1.0 2.0
   56    49    71    74   3.62500 -1.0 2.0
   56    62    64    65   3.62500 -1.0 2.0
   56    62   -64    67   3.62500 -1.0 2.0
   56    62    66    69   3.62500 -1.0 2.0
   56    62   -66    81   3.62500 -1.0 2.0
   62    56   -63    81   3.62500 -1.0 2.0
   62    64    67    68   3.62500 -1.0 2.0
   62    64    67    71   3.62500 -1.0 2.0
   62    66    69    70   3.62500 -1.0 2.0
   62    66    69    72   3.62500 -1.0 2.0
   62    66    81    79   3.62500 -1.0 2.0
   62    66   -81    63   3.62500 -1.0 2.0
   64    62    66    69   3.62500 -1.0 2.0
   64    62    66    81   3.62500 -1.0 2.0
   64    67   -71    49   3.62500 -1.0 2.0
   64    67    71    74   3.62500 -1.0 2.0
   65    64    67    68   3.62500 -1.0 2.0
   65    64    67    71   3.62500 -1.0 2.0
   67    71    74    75   0.00000  1.0 1.0
   67    71    74    76   0.00000  1.0 1.0
   67    71    74    46   0.00000  1.0 1.0
   68    67    71    49   3.62500 -1.0 2.0
   68    67    71    74   3.62500 -1.0 2.0
   71    49   -56    62   3.62500 -1.0 2.0
   71    49    56    63   3.62500 -1.0 2.0
   71    74   -46    39   0.56750  1.0 1.0
   71    74   -46    39  -0.07550 -1.0 2.0
   71    74   -46    39   0.20000  1.0 3.0
   71    74    46    47   0.15000  1.0 3.0
   71    74    46    50   0.56750  1.0 1.0
   71    74    46    50  -0.07550 -1.0 2.0
   71    74    46    50   0.20000  1.0 3.0
   74    46    50    51   0.15000  1.0 3.0
   74    46    50    57   0.62750  1.0 1.0
   74    46    50    57  -0.30950 -1.0 2.0
   74    46    50    57   0.27300  1.0 3.0
   74    46    50    58   0.56750  1.0 1.0
   74    46    50    58  -0.07550 -1.0 2.0
   74    46    50    58   0.20000  1.0 3.0
   75    74    46    39   0.15000  1.0 3.0
   75    74    46    47   0.15000  1.0 3.0
   75    74    46    50   0.15000  1.0 3.0
   76    74    46    39   0.15000  1.0 3.0
   76    74    46    47   0.15000  1.0 3.0
   76    74    46    50   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39   -43    49  -0.03700  1.0 1.0
   46    39   -43    49   0.37200 -1.0 2.0
   46    39   -43    49  -0.47300  1.0 3.0
   46    50   -57    33   0.06250  1.0 1.0
   46    50   -57    33  -0.01100 -1.0 2.0
   46    50   -57    33   0.28050  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    60   0.15000  1.0 3.0
   46    50    58    61   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    57   0.23400  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   57    33   -38    39   0.09700  1.0 1.0
   57    33   -38    39   0.15600 -1.0 2.0
   57    33   -38    39  -0.50800  1.0 3.0
   57    33    38    41   0.39000  1.0 1.0
   57    33    38    41  -0.05800 -1.0 2.0
   57    33    38    41  -0.55150  1.0 3.0
   57    50    58    59   0.23400  1.0 3.0
   57    50    58    60   0.23400  1.0 3.0
   57    50    58    61   0.23400  1.0 3.0
   58    50    57    33   0.06250  1.0 1.0
   58    50    57    33  -0.01100 -1.0 2.0
   58    50    57    33   0.28050  1.0 3.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    67   3.62500 -1.0 2.0
   66    69    72    73   3.62500 -1.0 2.0
   66    69    72    77   3.62500 -1.0 2.0
   66    81   -63    56   3.62500 -1.0 2.0
   69    66    81    79   3.62500 -1.0 2.0
   69    66    81    63   3.62500 -1.0 2.0
   69    72    77    78   3.62500 -1.0 2.0
   69    72   -77    79   3.62500 -1.0 2.0
   70    69    72    73   3.62500 -1.0 2.0
   70    69    72    77   3.62500 -1.0 2.0
   72    77    79    80   3.62500 -1.0 2.0
   72    77    79    81   3.62500 -1.0 2.0
   73    72    77    78   3.62500 -1.0 2.0
   73    72    77    79   3.62500 -1.0 2.0
   77    79   -81    66   3.62500 -1.0 2.0
   77    79    81    63   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    63    56   3.62500 -1.0 2.0
   80    79    81    66   3.62500 -1.0 2.0
   80    79    81    63   3.62500 -1.0 2.0
   81    66    69    70   3.62500 -1.0 2.0
   81    66   -69    72   3.62500 -1.0 2.0
   63    56    62    64   3.62500 -1.0 2.0
   63    56   -62    66   3.62500 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    52    53   0.08050  1.0 3.0
   41    48    52    54   0.08050  1.0 3.0
   41    48    52    55   0.08050  1.0 3.0
   42    41    48    52   2.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   56    71    49    43   4.00000 -1.0 2.0
   62    63    56    49   4.00000 -1.0 2.0
   64    66    62    56   4.00000 -1.0 2.0
   67    65    64    62   1.10000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   67    74    71    49   4.00000 -1.0 2.0
   69    81    66    62   4.00000 -1.0 2.0
   72    70    69    66   1.10000 -1.0 2.0
   77    73    72    69   1.10000 -1.0 2.0
   79    78    77    72   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    63    81    66   4.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
