* LIGAND DATABASE FILE (OPLS2005)
*
001      79    78    142    202     411
    1     0 S   NP   _N1_     1    29.58719    93.93844   -16.91972
    2     1 S   H    _HN1     2     1.02765    94.06887    -9.33151
    3     1 S   H    _H1_     3     1.03558   133.31057   107.92854
    4     1 S   H    _H2_     4     1.02739    26.47961   114.23146
    5     1 S   CT   _CA1     5     1.49795    97.97239  -122.46522
    6     5 S   HC   _HA1     6     1.09596   105.01807    42.86749
    7     5 S   CO3  _C1_     7     1.53741   113.04473   -76.93719
    8     7 S   O2Z  _O11     8     1.26255   115.39773   -44.34750
    9     7 S   O2Z  _O12     9     1.26322   114.79348   134.89171
   10     5 S   CT   _CB1    10     1.53054   107.42476   160.56516
   11    10 S   HC   HB11    11     1.09841   109.45650   -50.71733
   12    10 S   HC   HB12    12     1.09801   110.29429    65.59444
   13    10 S   CT   _CG1    13     1.53000   112.58353  -171.88758
   14    13 S   HC   HG11    14     1.09586   111.09204   -69.41557
   15    13 S   HC   HG12    15     1.09621   110.57972    49.75478
   16    13 S   C    _CD1    16     1.51416   110.85878   169.40307
   17    16 S   O    _OE1    17     1.22862   121.68630  -105.48300
   18    16 S   N    _N2_    18     1.38248   112.99148    73.82118
   19    18 S   H    _HN2    19     1.01580   119.12987     5.63186
   20    18 S   CT1  _CA2    20     1.45825   122.95530   179.72948
   21    20 S   HC   _HA2    21     1.09738   108.97384    20.49519
   22    20 S   C    _C2_    22     1.52891   107.19122   -96.59737
   23    22 S   O    _O2_    23     1.22945   122.93660   -27.48041
   24    20 S   CT   _CB2    32     1.53347   112.05296   143.43568
   25    24 S   HC   HB21    33     1.09411   109.35346    54.01390
   26    24 S   HC   HB22    34     1.09329   109.78878   172.91368
   27    22 S   N    _N3_    24     1.38637   112.37358   155.25968
   28    27 S   H    _HN3    25     1.01504   119.67381     1.29271
   29    24 S   S    _SG2    35     1.82727   110.38980   -66.53798
   30    27 S   CT   _CA3    26     1.45448   122.90107   175.67152
   31    30 S   HC   HA31    27     1.09534   109.02022    29.21778
   32    30 S   HC   HA32    28     1.09481   107.18258   146.33837
   33    29 S   CT   _C6_    36     1.88143   102.26561  -176.08083
   34    30 S   CO3  _C3_    29     1.53024   113.39643   -93.92044
   35    34 S   O2Z  _O31    30     1.26385   115.66909   -35.66041
   36    34 S   O2Z  _O32    31     1.26391   114.79469   145.23626
   37    33 S   CT   _C7_    37     1.55137   103.31922  -178.94057
   38    37 S   HC   _H9_    38     1.09582   112.09008    65.16231
   39    37 S   HC   _H10    39     1.09615   112.31978   -55.25779
   40    37 S   HC   _H11    40     1.09591   111.38605  -174.50346
   41    33 S   CT   _C5_    41     1.56679   109.84170    64.13061
   42    41 S   HC   _H7_    42     1.09804   108.98075   172.40410
   43    41 S   HC   _H8_    43     1.09705   109.69397   -72.69250
   44    33 S   CT   _C8_    48     1.60146   111.45797   -58.28329
   45    44 S   OM   _O35    49     1.32871   109.11749  -174.43046
   46    44 S   HC   _H3_    50     1.09849   105.23088    59.06719
   47    41 S   CT   _C4_    44     1.52720   117.46905    51.34010
   48    47 S   HC   _H4_    45     1.09316   112.25605   -64.53564
   49    47 S   HC   _H5_    46     1.09319   111.83442    58.12159
   50    47 S   HC   _H6_    47     1.09559   109.44859   176.82393
   51    44 S   CT   _C9_    51     1.56424   113.63520   -55.57794
   52    51 S   HC   _H12    52     1.09983   111.41435   -70.56347
   53    51 S   HC   _H13    53     1.09435   109.80983    46.41841
   54    51 S   CT   _C10    54     1.54258   112.85380   166.32476
   55    54 S   HC   _H14    55     1.09725   109.84554    61.38881
   56    54 S   HC   _H15    56     1.09740   110.00249   -54.65015
   57    54 S   CM   _C11    57     1.51766   112.13408  -176.18885
   58    57 S   CM   _C12    58     1.34737   119.76621  -100.98292
   59    58 S   HC   _H16    59     1.08988   117.76496     0.62620
   60    57 S   CT   _C19    76     1.50395   115.15188    79.07918
   61    60 S   HC   _H25    77     1.09432   110.43661   -65.68140
   62    60 S   HC   _H26    78     1.09517   110.13116    53.90361
   63    60 S   HC   _H27    79     1.09112   113.52385   173.67426
   64    58 S   CT   _C13    60     1.50419   128.31553   179.52936
   65    64 S   HC   _H17    61     1.09329   112.54896    17.31325
   66    64 S   HC   _H18    62     1.09760   107.29805   132.77832
   67    64 S   CT   _C14    63     1.53492   112.21867  -108.25456
   68    67 S   HC   _H19    64     1.09838   109.40942   -53.20264
   69    67 S   HC   _H20    65     1.09763   108.98076  -167.90074
   70    67 S   CM   _C15    66     1.51784   113.57369    70.87988
   71    70 S   CM   _C16    67     1.34557   120.06703  -106.65768
   72    71 S   HC   _H21    68     1.08980   119.38229    -1.12065
   73    70 S   CT   _C18    72     1.50527   115.29496    75.08411
   74    73 S   HC   _H22    73     1.09337   110.56112   -72.26056
   75    73 S   HC   _H23    74     1.09539   110.15499    47.36698
   76    73 S   HC   _H24    75     1.09309   113.18763   166.31651
   77    71 S   CO3  _C17    69     1.52714   124.06412   178.59305
   78    77 S   O2Z  _O34    70     1.26391   115.89289   -54.49754
   79    77 S   O2Z  _O33    71     1.26403   114.57402   126.90487
  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  13   5   4   3
  18   2   1   1  11   4   3   2  10   6   5  10   5   4   3   2
   1   1   8   5   4  10   4   3  10  12   5   4   2   1   1   8
   5   4  10   4   3   9   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    47    44    45    46    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    47    48    49    50    44    45    46    51    52    53    54  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    51  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    47    48    49    50    44    45    46    51  
   43    47    48    49    50    44  
   47    48    49    50    44  
   45    46    51    52    53    54    55    56    57    47  
   46    51    52    53    54  
   51    52    53    54  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58    60  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57    58    59    64    60    61    62    63  
   56    57    58    60  
   57    58    60  
   58    59    64    65    66    67    60    61    62    63  
   59    64    65    66    67    68    69    70    60    61    62    63  
   64    65    66    67    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    77    73    74    75    76  
   69    70    71    73  
   70    71    73  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    73    74    75    76  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79  
   79  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   44    45   570.000  1.307
   44    46   340.000  1.090
   44    51   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   317.000  1.510
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   549.000  1.340
   70    73   317.000  1.510
   71    72   340.000  1.080
   71    77   230.000  1.545
   77    78   656.000  1.250
   77    79   656.000  1.250
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    58.35000  112.70000
   33    44    45    50.00000  109.50000
   33    44    46    37.50000  110.70000
   33    44    51    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   43    41    42    33.00000  107.80000
   47    41    42    37.50000  110.70000
   47    41    43    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    58.35000  112.70000
   46    44    45    45.00000  125.66300
   51    44    45    50.00000  109.50000
   51    44    46    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    70.00000  112.02700
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    70.00000  124.00000
   54    57    60    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    58    59    35.00000  120.00000
   57    58    64    70.00000  124.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    70.00000  112.02700
   64    58    59    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    70.00000  124.00000
   67    70    73    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    77    55.00000  124.75400
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   71    77    78    85.00000  113.83300
   71    77    79    85.00000  113.83300
   77    71    72    40.00000  118.53000
   79    77    78    80.00000  126.00000
   73    70    71    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    57    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   29    33    44    45   0.56750  1.0 1.0
   29    33    44    45  -0.07550 -1.0 2.0
   29    33    44    45   0.20000  1.0 3.0
   29    33    44    46   0.15000  1.0 3.0
   29    33    44    51   0.44750  1.0 1.0
   29    33    44    51  -0.17800 -1.0 2.0
   29    33    44    51   0.20200  1.0 3.0
   33    41    47    48   0.15000  1.0 3.0
   33    41    47    49   0.15000  1.0 3.0
   33    41    47    50   0.15000  1.0 3.0
   33    44    51    52   0.15000  1.0 3.0
   33    44    51    53   0.15000  1.0 3.0
   33    44    51    54   0.56750  1.0 1.0
   33    44    51    54  -0.07550 -1.0 2.0
   33    44    51    54   0.20000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    47   0.56750  1.0 1.0
   37    33    41    47  -0.07550 -1.0 2.0
   37    33    41    47   0.20000  1.0 3.0
   37    33    44    45   0.62750  1.0 1.0
   37    33    44    45  -0.30950 -1.0 2.0
   37    33    44    45   0.27300  1.0 3.0
   37    33    44    46   0.15000  1.0 3.0
   37    33    44    51   0.56750  1.0 1.0
   37    33    44    51  -0.07550 -1.0 2.0
   37    33    44    51   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.62750  1.0 1.0
   41    33    44    45  -0.30950 -1.0 2.0
   41    33    44    45   0.27300  1.0 3.0
   41    33    44    46   0.15000  1.0 3.0
   41    33    44    51   0.56750  1.0 1.0
   41    33    44    51  -0.07550 -1.0 2.0
   41    33    44    51   0.20000  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    50   0.15000  1.0 3.0
   43    41    47    48   0.15000  1.0 3.0
   43    41    47    49   0.15000  1.0 3.0
   43    41    47    50   0.15000  1.0 3.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    47   0.56750  1.0 1.0
   44    33    41    47  -0.07550 -1.0 2.0
   44    33    41    47   0.20000  1.0 3.0
   44    51    54    55   0.15000  1.0 3.0
   44    51    54    56   0.15000  1.0 3.0
   44    51    54    57   0.34400  1.0 1.0
   44    51    54    57   0.09450 -1.0 2.0
   44    51    54    57   0.11100  1.0 3.0
   45    44    51    52   0.23400  1.0 3.0
   45    44    51    53   0.23400  1.0 3.0
   45    44    51    54   0.62750  1.0 1.0
   45    44    51    54  -0.30950 -1.0 2.0
   45    44    51    54   0.27300  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    54   0.15000  1.0 3.0
   51    54    57    58   0.09850  1.0 1.0
   51    54    57    58   0.15250 -1.0 2.0
   51    54    57    58  -0.50650  1.0 3.0
   51    54    57    60   0.46850  1.0 1.0
   51    54    57    60   0.08550 -1.0 2.0
   51    54    57    60   0.09800  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   7.00000 -1.0 2.0
   54    57    58    64   7.00000 -1.0 2.0
   54    57    60    61   0.34800  1.0 3.0
   54    57    60    62   0.34800  1.0 3.0
   54    57    60    63   0.34800  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    60   0.34800  1.0 3.0
   56    54    57    58   0.00000  1.0 1.0
   56    54    57    60   0.34800  1.0 3.0
   57    58    64    65   0.00000  1.0 1.0
   57    58    64    66   0.00000  1.0 1.0
   57    58    64    67   0.09850  1.0 1.0
   57    58    64    67   0.15250 -1.0 2.0
   57    58    64    67  -0.50650  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    63   0.00000  1.0 1.0
   58    64    67    68   0.15000  1.0 3.0
   58    64    67    69   0.15000  1.0 3.0
   58    64    67    70   0.31000  1.0 1.0
   58    64    67    70   0.14700 -1.0 2.0
   58    64    67    70   0.07550  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.33100  1.0 3.0
   59    58    64    67   0.00000  1.0 1.0
   64    67    70    71   0.09850  1.0 1.0
   64    67    70    71   0.15250 -1.0 2.0
   64    67    70    71  -0.50650  1.0 3.0
   64    67    70    73   0.46850  1.0 1.0
   64    67    70    73   0.08550 -1.0 2.0
   64    67    70    73   0.09800  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    71    72   7.00000 -1.0 2.0
   67    70    71    77   7.00000 -1.0 2.0
   67    70    73    74   0.34800  1.0 3.0
   67    70    73    75   0.34800  1.0 3.0
   67    70    73    76   0.34800  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    73   0.34800  1.0 3.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    73   0.34800  1.0 3.0
   70    71    77    78  -0.04000 -1.0 2.0
   70    71    77    78  -0.29050  1.0 3.0
   70    71    77    79  -0.04000 -1.0 2.0
   70    71    77    79  -0.29050  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   71    70    73    76   0.00000  1.0 1.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   73    70    71    72   7.00000 -1.0 2.0
   73    70    71    77   7.00000 -1.0 2.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    64   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   54    60    57    58  15.00000 -1.0 2.0
   64    59    58    57  15.00000 -1.0 2.0
   67    73    70    71  15.00000 -1.0 2.0
   77    72    71    70  15.00000 -1.0 2.0
   78    71    77    79  10.50000 -1.0 2.0
END
