* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    154    232     453
    1     0 S   NP   _N1_     1    28.32544    98.18920   -23.20401
    2     1 S   H    _HN1     2     1.02957    66.65461    -0.64163
    3     1 S   H    _H1_     3     1.02835    43.12627   157.45994
    4     1 S   H    _H2_     4     1.02776   106.60732  -103.87661
    5     1 S   CT   _CA1     5     1.50137   139.27031    93.95807
    6     5 S   HC   _HA1     6     1.09575   105.20057   100.02341
    7     5 S   CO3  _C1_     7     1.53782   112.36784   -20.13699
    8     7 S   O2Z  _O11     8     1.26366   114.99167   -43.50258
    9     7 S   O2Z  _O12     9     1.26236   114.93258   135.54082
   10     5 S   CT   _CB1    10     1.53093   107.41560  -142.08007
   11    10 S   HC   HB11    11     1.09827   109.30687   -50.43790
   12    10 S   HC   HB12    12     1.09815   110.43817    66.11468
   13    10 S   CT   _CG1    13     1.53018   112.68268  -171.50625
   14    13 S   HC   HG11    14     1.09595   110.49747   -64.96982
   15    13 S   HC   HG12    15     1.09659   109.90759    54.23135
   16    13 S   C    _CD1    16     1.51846   112.31056   174.58250
   17    16 S   O    _OE1    17     1.22754   123.29488     1.05629
   18    16 S   N    _N2_    18     1.38551   111.71137  -178.90068
   19    18 S   H    _HN2    19     1.01554   119.05211     4.09075
   20    18 S   CT1  _CA2    20     1.45853   122.88413   178.00728
   21    20 S   HC   _HA2    21     1.09735   108.90328    24.94624
   22    20 S   C    _C2_    22     1.52953   107.00729   -92.07228
   23    22 S   O    _O2_    23     1.22979   123.06603   -26.83227
   24    20 S   CT   _CB2    32     1.53406   112.26582   148.13639
   25    24 S   HC   HB21    33     1.09497   109.36744    53.91426
   26    24 S   HC   HB22    34     1.09278   109.62240   172.66262
   27    22 S   N    _N3_    24     1.38502   112.55571   155.91194
   28    27 S   H    _HN3    25     1.01658   120.33907    -2.18167
   29    24 S   S    _SG2    35     1.82688   110.58521   -66.13984
   30    27 S   CT   _CA3    26     1.45353   122.48986   178.58307
   31    30 S   HC   HA31    27     1.09567   107.82346   -55.45201
   32    30 S   HC   HA32    28     1.09562   107.59803    60.88271
   33    29 S   CT   _C16    36     1.89962   103.60708  -170.88458
   34    30 S   CO3  _C3_    29     1.52889   114.32650  -177.36589
   35    34 S   O2Z  _O31    30     1.26336   116.06126     0.00000
   36    34 S   O2Z  _O32    31     1.26435   114.41183   179.97202
   37    33 S   CT   _C17    37     1.55257   110.94792   -42.61944
   38    37 S   HC   _H15    38     1.09802   109.46222   168.43626
   39    37 S   HC   _H16    39     1.09494   111.69928    54.18774
   40    33 S   CT   _C23    82     1.55590   104.40181    73.21964
   41    40 S   HC   _H27    83     1.09596   112.10761    62.11113
   42    40 S   HC   _H28    84     1.09471   112.30421   -59.25336
   43    40 S   HC   _H29    85     1.09547   111.66836  -177.28048
   44    37 S   CT   _C18    40     1.52391   114.04904   -70.61338
   45    44 S   HC   _H17    41     1.09688   108.82175  -177.68573
   46    44 S   HC   _H18    42     1.09462   110.69891    66.34113
   47    44 S   CT   _C19    43     1.52523   111.93274   -57.53412
   48    47 S   HC   _H19    44     1.09810   108.59082   178.90175
   49    47 S   HC   _H20    45     1.09737   108.46885   -67.13528
   50    47 S   CT   _C20    46     1.55639   113.97443    55.88893
   51    33 S   CT   _C15    47     1.62332   112.53387  -165.24272
   52    51 S   OM   _O35    48     1.32599   109.67608   -47.75869
   53    50 S   CT   _C21    74     1.55727   107.40980    74.58313
   54    53 S   HC   _H21    75     1.09498   112.16151  -179.42393
   55    53 S   HC   _H22    76     1.09761   110.54994    61.95819
   56    53 S   HC   _H23    77     1.08980   113.29907   -56.27355
   57    50 S   CT   _C22    78     1.56133   106.78295  -173.32982
   58    57 S   HC   _H24    79     1.09538   111.59776  -179.65793
   59    57 S   HC   _H25    80     1.09479   112.31057    58.66639
   60    57 S   HC   _H26    81     1.09689   110.93503   -60.15748
   61    51 S   CM   _C14    49     1.55594   108.58089  -165.82048
   62    61 S   HC   _H14    50     1.08712   113.35818   -64.43749
   63    61 S   CM   _C13    51     1.34937   129.58936   115.67155
   64    63 S   HC   _H13    52     1.08857   118.25293    -0.19979
   65    63 S   CM   _C5_    53     1.46842   126.81459   179.92598
   66    65 S   CM   _C6_    54     1.35086   118.13584   179.81869
   67    66 S   HC   _H6_    55     1.09081   118.19731     0.00000
   68    65 S   CT   _C4_    70     1.50832   117.32730    -0.20367
   69    68 S   HC   _H3_    71     1.09587   110.48222   -60.03923
   70    68 S   HC   _H4_    72     1.09174   113.89009  -179.81655
   71    68 S   HC   _H5_    73     1.09586   110.47923    60.37291
   72    66 S   CM   _C7_    56     1.45108   127.77520  -179.97202
   73    72 S   HC   _H7_    57     1.08299   117.70961     0.17471
   74    72 S   CM   _C8_    58     1.34442   122.54323   179.98022
   75    74 S   HC   _H8_    59     1.09007   118.08975    -0.24787
   76    74 S   CM   _C9_    60     1.46469   126.66227  -179.87967
   77    76 S   CM   _C10    61     1.34689   118.51910   178.03258
   78    77 S   HC   _H9_    62     1.09034   120.25726     1.67094
   79    76 S   CT   _C12    66     1.50768   117.92663    -2.86129
   80    79 S   HC   _H10    67     1.09537   110.51293    66.14667
   81    79 S   HC   _H11    68     1.09327   113.34068  -173.26617
   82    79 S   HC   _H12    69     1.09591   110.63685   -54.37587
   83    77 S   CO3  _C11    63     1.52780   123.86955  -179.13566
   84    83 S   O2Z  _O34    64     1.26330   115.70107    61.84319
   85    83 S   O2Z  _O33    65     1.26419   114.44833  -120.03399
  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
  19   2   1   1  16   7   6   8   3   2   1   9   5   4  14   5
   4  13  14   5   8   3   2   1   4   2   1   1   6   3   9   3
   9  10   4   4   2   1   1   6   3   9   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    50    51    52    61    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    50    51    52    61    62    63    53    57    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    50    51    52    61    40    41    42    43  
   39    44    45    46    47    51    40  
   44    45    46    47    51    40  
   41    42    43    44    50    51    52    61  
   42    43    51  
   43    51  
   51  
   45    46    47    48    49    50    51    53    57  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    61    53    54    55    56    57    58    59    60  
   49    50    51    53    57  
   50    51    53    57  
   51    52    61    62    63    53    54    55    56    57    58    59    60  
   52    61    62    63    64    65    53    54    55    56    57    58    59    60  
   61    62    63    53    57  
   54    55    56    57    58    59    60    61  
   55    56    57  
   56    57  
   57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    68  
   63    64    65  
   64    65    66    67    72    68    69    70    71  
   65    66    68  
   66    67    72    73    74    68    69    70    71  
   67    72    73    74    75    76    68    69    70    71  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    79  
   74    75    76  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    85    79    80    81    82  
   78    83    84    85    79    80    81    82  
   83    84    85    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85  
   85  
    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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   570.000  1.307
   51    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   549.000  1.340
   65    68   317.000  1.510
   66    67   340.000  1.080
   66    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   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    83   230.000  1.545
   83    84   656.000  1.250
   83    85   656.000  1.250
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    51    50    58.35000  112.70000
   33    51    52    50.00000  109.50000
   33    51    61    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   47    50    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    50.00000  109.50000
   50    51    61    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    61    62    35.00000  117.00000
   51    61    63    70.00000  124.00000
   61    51    52    85.00000  110.90400
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  123.01800
   63    61    62    35.00000  120.00000
   63    65    66    70.00000  123.01800
   63    65    68    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    70.00000  123.01800
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    73    35.00000  120.00000
   66    72    74    70.00000  123.01800
   72    66    67    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    70.00000  123.01800
   74    76    79    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    83    55.00000  124.75400
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    85.00000  113.83300
   77    83    85    85.00000  113.83300
   83    77    78    40.00000  118.53000
   85    83    84    80.00000  126.00000
   79    76    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   68    65    66    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    51    50   0.44750  1.0 1.0
   29    33    51    50  -0.17800 -1.0 2.0
   29    33    51    50   0.20200  1.0 3.0
   29    33    51    52   0.56750  1.0 1.0
   29    33    51    52  -0.07550 -1.0 2.0
   29    33    51    52   0.20000  1.0 3.0
   29    33    51    61   0.56750  1.0 1.0
   29    33    51    61  -0.07550 -1.0 2.0
   29    33    51    61   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47   0.56750  1.0 1.0
   33    37    44    47  -0.07550 -1.0 2.0
   33    37    44    47   0.20000  1.0 3.0
   33    51    61    62   0.00000  1.0 1.0
   33    51    61    63   0.09850  1.0 1.0
   33    51    61    63   0.15250 -1.0 2.0
   33    51    61    63  -0.50650  1.0 3.0
   37    33    51    50   0.56750  1.0 1.0
   37    33    51    50  -0.07550 -1.0 2.0
   37    33    51    50   0.20000  1.0 3.0
   37    33    51    52   0.62750  1.0 1.0
   37    33    51    52  -0.30950 -1.0 2.0
   37    33    51    52   0.27300  1.0 3.0
   37    33    51    61   0.34400  1.0 1.0
   37    33    51    61   0.09450 -1.0 2.0
   37    33    51    61   0.11100  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    47    48   0.15000  1.0 3.0
   37    44    47    49   0.15000  1.0 3.0
   37    44   -47    50   0.56750  1.0 1.0
   37    44   -47    50  -0.07550 -1.0 2.0
   37    44   -47    50   0.20000  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47   0.15000  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    47   0.15000  1.0 3.0
   44    47    50    51   0.56750  1.0 1.0
   44    47    50    51  -0.07550 -1.0 2.0
   44    47    50    51   0.20000  1.0 3.0
   44    47    50    53   0.56750  1.0 1.0
   44    47    50    53  -0.07550 -1.0 2.0
   44    47    50    53   0.20000  1.0 3.0
   44    47    50    57   0.56750  1.0 1.0
   44    47    50    57  -0.07550 -1.0 2.0
   44    47    50    57   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50   -51    33   0.56750  1.0 1.0
   47    50   -51    33  -0.07550 -1.0 2.0
   47    50   -51    33   0.20000  1.0 3.0
   47    50    51    52   0.62750  1.0 1.0
   47    50    51    52  -0.30950 -1.0 2.0
   47    50    51    52   0.27300  1.0 3.0
   47    50    51    61   0.34400  1.0 1.0
   47    50    51    61   0.09450 -1.0 2.0
   47    50    51    61   0.11100  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50    53    56   0.15000  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   48    47    50    57   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   49    47    50    57   0.15000  1.0 3.0
   50    51    61    62   0.00000  1.0 1.0
   50    51    61    63   0.09850  1.0 1.0
   50    51    61    63   0.15250 -1.0 2.0
   50    51    61    63  -0.50650  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    44   0.56750  1.0 1.0
   51    33   -37    44  -0.07550 -1.0 2.0
   51    33   -37    44   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    33    40    43   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61    63    64   7.00000 -1.0 2.0
   51    61    63    65   7.00000 -1.0 2.0
   52    51    61    62   0.00000  1.0 1.0
   52    51    61    63   0.39000  1.0 1.0
   52    51    61    63  -0.05800 -1.0 2.0
   52    51    61    63  -0.55150  1.0 3.0
   61    63    65    66   0.28850  1.0 1.0
   61    63    65    66   2.61350 -1.0 2.0
   61    63    65    66   0.78400  1.0 3.0
   61    63    65    68  -0.18600  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    66    67   7.00000 -1.0 2.0
   63    65    66    72   7.00000 -1.0 2.0
   63    65    68    69   0.00000  1.0 1.0
   63    65    68    70   0.00000  1.0 1.0
   63    65    68    71   0.00000  1.0 1.0
   64    63    65    66  -0.18600  1.0 3.0
   64    63    65    68   0.00000  1.0 1.0
   65    66    72    73  -0.18600  1.0 3.0
   65    66    72    74   0.28850  1.0 1.0
   65    66    72    74   2.61350 -1.0 2.0
   65    66    72    74   0.78400  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    74    75   7.00000 -1.0 2.0
   66    72    74    76   7.00000 -1.0 2.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74  -0.18600  1.0 3.0
   72    74    76    77   0.28850  1.0 1.0
   72    74    76    77   2.61350 -1.0 2.0
   72    74    76    77   0.78400  1.0 3.0
   72    74    76    79  -0.18600  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    77    78   7.00000 -1.0 2.0
   74    76    77    83   7.00000 -1.0 2.0
   74    76    79    80   0.00000  1.0 1.0
   74    76    79    81   0.00000  1.0 1.0
   74    76    79    82   0.00000  1.0 1.0
   75    74    76    77  -0.18600  1.0 3.0
   75    74    76    79   0.00000  1.0 1.0
   76    77    83    84  -0.04000 -1.0 2.0
   76    77    83    84  -0.29050  1.0 3.0
   76    77    83    85  -0.04000 -1.0 2.0
   76    77    83    85  -0.29050  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    83   7.00000 -1.0 2.0
   68    65    66    67   7.00000 -1.0 2.0
   68    65    66    72   7.00000 -1.0 2.0
   53    50    51    33   0.56750  1.0 1.0
   53    50    51    33  -0.07550 -1.0 2.0
   53    50    51    33   0.20000  1.0 3.0
   53    50    51    52   0.62750  1.0 1.0
   53    50    51    52  -0.30950 -1.0 2.0
   53    50    51    52   0.27300  1.0 3.0
   53    50    51    61   0.34400  1.0 1.0
   53    50    51    61   0.09450 -1.0 2.0
   53    50    51    61   0.11100  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    33   0.56750  1.0 1.0
   57    50    51    33  -0.07550 -1.0 2.0
   57    50    51    33   0.20000  1.0 3.0
   57    50    51    52   0.62750  1.0 1.0
   57    50    51    52  -0.30950 -1.0 2.0
   57    50    51    52   0.27300  1.0 3.0
   57    50    51    61   0.34400  1.0 1.0
   57    50    51    61   0.09450 -1.0 2.0
   57    50    51    61   0.11100  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    51    50   0.56750  1.0 1.0
   40    33    51    50  -0.07550 -1.0 2.0
   40    33    51    50   0.20000  1.0 3.0
   40    33    51    52   0.62750  1.0 1.0
   40    33    51    52  -0.30950 -1.0 2.0
   40    33    51    52   0.27300  1.0 3.0
   40    33    51    61   0.34400  1.0 1.0
   40    33    51    61   0.09450 -1.0 2.0
   40    33    51    61   0.11100  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   51    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
   63    68    65    66  15.00000 -1.0 2.0
   72    67    66    65  15.00000 -1.0 2.0
   66    73    72    74  15.00000 -1.0 2.0
   76    75    74    72  15.00000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   83    78    77    76  15.00000 -1.0 2.0
   84    77    83    85  10.50000 -1.0 2.0
END
