* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    143    210     418
    1     0 S   NP   _N1_     1    28.76078    93.31666   -21.99530
    2     1 S   H    _HN1     2     1.02978    92.88699     9.88183
    3     1 S   H    _H1_     3     1.02821    24.30677   136.73189
    4     1 S   H    _H2_     4     1.02778    94.69278   -98.73957
    5     1 S   CT   _CA1     5     1.50150   135.04794   132.88588
    6     5 S   HC   _HA1     6     1.09563   105.30816    60.46043
    7     5 S   CO3  _C1_     7     1.53805   112.30929   -59.93116
    8     7 S   O2Z  _O11     8     1.26365   115.03087   -44.62819
    9     7 S   O2Z  _O12     9     1.26242   114.91792   134.53569
   10     5 S   CT   _CB1    10     1.53008   107.38104   178.45086
   11    10 S   HC   HB11    11     1.09828   109.48718   -50.68373
   12    10 S   HC   HB12    12     1.09605   110.05734    65.71639
   13    10 S   CT   _CG1    13     1.53021   112.97323  -172.00770
   14    13 S   HC   HG11    14     1.09580   110.63053   -62.76908
   15    13 S   HC   HG12    15     1.09645   109.86104    56.56063
   16    13 S   C    _CD1    16     1.51831   112.11891   177.13761
   17    16 S   O    _OE1    17     1.22747   123.17608     4.37148
   18    16 S   N    _N2_    18     1.38702   111.84424  -175.62440
   19    18 S   H    _HN2    19     1.01558   119.02016     2.72333
   20    18 S   CT1  _CA2    20     1.46257   123.34671   179.39834
   21    20 S   HC   _HA2    21     1.09551   108.97147     6.92515
   22    20 S   C    _C2_    22     1.53583   108.85889  -108.20311
   23    22 S   O    _O2_    23     1.23066   122.29549  -146.35281
   24    20 S   CT   _CB2    32     1.53549   111.87446   129.27414
   25    24 S   HC   HB21    33     1.09658   109.48780    64.97656
   26    24 S   HC   HB22    34     1.09549   111.03429  -177.70757
   27    22 S   N    _N3_    24     1.38341   113.79038    40.95403
   28    27 S   H    _HN3    25     1.01555   119.65101    -2.78622
   29    24 S   S    _SG2    35     1.82861   114.26640   -54.15953
   30    27 S   CT   _CA3    26     1.45279   123.14856   177.18541
   31    30 S   HC   HA31    27     1.09551   107.48421   -65.05322
   32    30 S   HC   HA32    28     1.09558   108.01319    51.38033
   33    29 S   CT   _C20    36     1.83940   100.39748   -71.41957
   34    33 S   HC   _H3_    37     1.09315   108.79524    23.80030
   35    30 S   CO3  _C3_    29     1.52947   114.11271   173.39473
   36    35 S   O2Z  _O31    30     1.26372   116.09063    -1.05351
   37    35 S   O2Z  _O32    31     1.26429   114.40752   179.01226
   38    33 S   CM   _C11    38     1.50773   107.37677   141.82990
   39    38 S   HC   _H30    39     1.08833   117.76562    64.46718
   40    33 S   CM   _C12    64     1.50870   108.81862   -97.24950
   41    40 S   HC   _H31    65     1.08851   115.47969   -61.02468
   42    38 S   CM   _C10    40     1.34223   123.10605  -113.28856
   43    42 S   HC   _H29    41     1.08791   119.37208    -1.62088
   44    40 S   CMA  _C13    66     1.35328   125.50855   119.00034
   45    44 S   OM   _O20    67     1.25935   130.07157    -0.31279
   46    42 S   CT   _C18    42     1.50094   124.17547   176.15178
   47    46 S   HC   _H43    43     1.09678   108.63525   129.97486
   48    46 S   HC   _H44    44     1.09714   110.85279    12.88794
   49    44 S   NE   _N19    68     1.38309   122.12222  -179.95154
   50    49 S   H    _H48    69     1.01587   113.08444   174.29456
   51    46 S   CT   _C17    45     1.53161   109.96526  -109.06483
   52    51 S   HC   _H41    46     1.09775   109.41729    63.00520
   53    51 S   HC   _H42    47     1.09380   108.96458   -53.15478
   54    49 S   CT   _C19    70     1.45150   129.06188     1.72533
   55    54 S   HC   _H45    71     1.09677   108.14476    68.29847
   56    54 S   HC   _H46    72     1.09663   110.00982   -49.69437
   57    51 S   CM   _C9_    48     1.50276   112.07336  -177.25120
   58    57 S   HC   _H28    49     1.08948   115.16827   -52.78777
   59    54 S   CT   _C21    73     1.54192   111.49170  -171.04331
   60    57 S   CM   _C7_    50     1.34276   128.00712   129.20899
   61    60 S   HC   _H26    51     1.08906   117.10750   178.51365
   62    59 S   CT   _C15    74     1.53225   109.53000  -177.57990
   63    62 S   HC   _H35    75     1.09604   110.81733    59.53017
   64    62 S   HC   _H36    76     1.09607   110.96115   177.40512
   65    62 S   HC   _H37    77     1.09490   111.62139   -61.55831
   66    59 S   CT   _C16    78     1.53177   112.16043    60.09991
   67    66 S   HC   _H38    79     1.09525   111.49538   -64.29402
   68    66 S   HC   _H39    80     1.09624   110.75076   177.98336
   69    66 S   HC   _H40    81     1.09482   111.50985    57.33518
   70    59 S   OH   _O21    82     1.43054   108.61930   -60.22830
   71    70 S   HO   _H49    83     0.97228   108.00837   178.91646
   72    60 S   CM   _C5_    52     1.44644   126.76512    -0.59807
   73    72 S   HC   _H24    53     1.08549   117.94741    -4.14935
   74    72 S   CM   _C4_    54     1.34197   122.92599   175.50625
   75    74 S   HC   _H23    55     1.08784   120.06285     0.09279
   76    74 S   CM   _C6_    56     1.44621   122.84153  -179.52440
   77    76 S   HC   _H25    57     1.08742   117.35870    -1.56923
   78    76 S   CM   _C8_    58     1.34098   123.12844   178.48716
   79    78 S   HC   _H27    59     1.08756   120.13506     0.01978
   80    78 S   CT   _C14    60     1.49369   123.68428   179.98022
   81    80 S   HC   _H32    61     1.09426   109.89504  -120.39362
   82    80 S   HC   _H33    62     1.09460   112.30250     0.05935
   83    80 S   HC   _H34    63     1.09428   109.88278   120.48670
  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   8   5   4   3
  11   6   2   1   1  10   4   7   3   8   4   7   3   8   5   4
   8   4   7   4   3  13   5   4   6   3  10   6   3   9   4   3
   2   5   3   2   1   1   1   6   3   6   3   7   3   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    51    40    41    44  
   42    43    46    40  
   41    44    45    49    50    54    42  
   44    45    49  
   43    46    47    48    51    52    53    57  
   46    47    48    51  
   45    49    50    54    55    56    59  
   49    50    54  
   47    48    51    52    53    57    58    60  
   48    51    52    53    57  
   51    52    53    57  
   50    54    55    56    59    62    66    70  
   54    55    56    59  
   52    53    57    58    60    61    72  
   53    57    58    60  
   57    58    60  
   55    56    59    62    63    64    65    66    67    68    69    70    71  
   56    59    62    66    70  
   59    62    66    70  
   58    60    61    72    73    74  
   60    61    72  
   62    63    64    65    66    67    68    69    70    71  
   61    72    73    74    75    76  
   72    73    74  
   63    64    65    66    67    68    69    70    71  
   64    65    66    70  
   65    66    70  
   66    70  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   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   0.115300   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   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    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   317.000  1.510
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   60    72   380.000  1.444
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   74    76   380.000  1.444
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   78    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    49   415.000  1.382
   49    50   434.000  1.010
   49    54   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    62   268.000  1.529
   59    66   268.000  1.529
   59    70   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    51    70.00000  112.02700
   46    42    43    35.00000  117.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    57    70.00000  112.02700
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    57    58    35.00000  117.00000
   51    57    60    70.00000  124.00000
   53    51    52    33.00000  107.80000
   57    51    52    35.00000  109.50000
   57    51    53    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    72    70.00000  123.01800
   60    57    58    35.00000  120.00000
   60    72    73    35.00000  120.00000
   60    72    74    70.00000  123.01800
   72    60    61    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    70.00000  123.01800
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    70.00000  123.01800
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   80    78    79    35.00000  117.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    49    75.00000  114.40000
   44    40    41    40.00000  120.50800
   44    49    50    50.00000  121.48000
   44    49    54    50.00000  121.00000
   49    44    45   105.00000  113.92000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    59    80.00000  111.61500
   54    49    50    35.00000  112.50000
   54    59    62    58.35000  112.70000
   54    59    66    58.35000  112.70000
   54    59    70    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    37.50000  110.70000
   59    70    71    55.00000  108.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    59    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    59    62    50.00000  109.50000
   70    59    66    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    49   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    51   0.09850  1.0 1.0
   38    42    46    51   0.15250 -1.0 2.0
   38    42    46    51  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    53   0.15000  1.0 3.0
   42    46    51    57   0.31000  1.0 1.0
   42    46    51    57   0.14700 -1.0 2.0
   42    46    51    57   0.07550  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    51   0.00000  1.0 1.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    60   0.09850  1.0 1.0
   46    51    57    60   0.15250 -1.0 2.0
   46    51    57    60  -0.50650  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    57   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    57   0.15000  1.0 3.0
   51    57    60    61   7.00000 -1.0 2.0
   51    57    60    72   7.00000 -1.0 2.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   53    51    57    58   0.33100  1.0 3.0
   53    51    57    60   0.00000  1.0 1.0
   57    60    72    73  -0.18600  1.0 3.0
   57    60    72    74   0.28850  1.0 1.0
   57    60    72    74   2.61350 -1.0 2.0
   57    60    72    74   0.78400  1.0 3.0
   58    57    60    61   7.00000 -1.0 2.0
   58    57    60    72   7.00000 -1.0 2.0
   60    72    74    75   7.00000 -1.0 2.0
   60    72    74    76   7.00000 -1.0 2.0
   61    60    72    73   0.00000  1.0 1.0
   61    60    72    74  -0.18600  1.0 3.0
   72    74    76    77  -0.18600  1.0 3.0
   72    74    76    78   0.28850  1.0 1.0
   72    74    76    78   2.61350 -1.0 2.0
   72    74    76    78   0.78400  1.0 3.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   74    76    78    80   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78  -0.18600  1.0 3.0
   76    78    80    81   0.00000  1.0 1.0
   76    78    80    82   0.00000  1.0 1.0
   76    78    80    83   0.00000  1.0 1.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    80   7.00000 -1.0 2.0
   79    78    80    81   0.33100  1.0 3.0
   79    78    80    82   0.33100  1.0 3.0
   79    78    80    83   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    49    50   1.00000 -1.0 2.0
   40    44    49    54  -0.54700  1.0 1.0
   40    44    49    54   1.23000 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    56   0.00000  1.0 1.0
   44    49    54    59   0.25450  1.0 1.0
   44    49    54    59  -0.61700 -1.0 2.0
   44    49    54    59  -0.23550  1.0 3.0
   45    44    49    50   1.00000 -1.0 2.0
   45    44    49    54   1.00000 -1.0 2.0
   49    54    59    62   1.26750  1.0 1.0
   49    54    59    62  -0.00950 -1.0 2.0
   49    54    59    62   0.30600  1.0 3.0
   49    54    59    66   1.26750  1.0 1.0
   49    54    59    66  -0.00950 -1.0 2.0
   49    54    59    66   0.30600  1.0 3.0
   49    54    59    70   4.07950  1.0 1.0
   49    54    59    70  -0.26450 -1.0 2.0
   49    54    59    70  -0.12150  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    59   0.00000  1.0 1.0
   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
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59    66    69   0.15000  1.0 3.0
   54    59    70    71  -0.11600  1.0 1.0
   54    59    70    71  -0.09450 -1.0 2.0
   54    59    70    71   0.21250  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   55    54    59    70   0.23400  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   56    54    59    66   0.15000  1.0 3.0
   56    54    59    70   0.23400  1.0 3.0
   62    59    66    67   0.15000  1.0 3.0
   62    59    66    68   0.15000  1.0 3.0
   62    59    66    69   0.15000  1.0 3.0
   62    59    70    71  -0.11600  1.0 1.0
   62    59    70    71  -0.09450 -1.0 2.0
   62    59    70    71   0.21250  1.0 3.0
   66    59    62    63   0.15000  1.0 3.0
   66    59    62    64   0.15000  1.0 3.0
   66    59    62    65   0.15000  1.0 3.0
   66    59    70    71  -0.11600  1.0 1.0
   66    59    70    71  -0.09450 -1.0 2.0
   66    59    70    71   0.21250  1.0 3.0
   70    59    62    63   0.23400  1.0 3.0
   70    59    62    64   0.23400  1.0 3.0
   70    59    62    65   0.23400  1.0 3.0
   70    59    66    67   0.23400  1.0 3.0
   70    59    66    68   0.23400  1.0 3.0
   70    59    66    69   0.23400  1.0 3.0
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    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   51    58    57    60  15.00000 -1.0 2.0
   72    61    60    57  15.00000 -1.0 2.0
   60    73    72    74  15.00000 -1.0 2.0
   76    75    74    72  15.00000 -1.0 2.0
   74    77    76    78  15.00000 -1.0 2.0
   80    79    78    76  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   49    45    44    40  15.00000 -1.0 2.0
   50    44    49    54   1.00000 -1.0 2.0
END
