* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    240     445
    1     0 S   NP   _N1_     1    28.95746    93.83322   -23.07215
    2     1 S   H    _HN1     2     1.02779   103.64451   -81.95731
    3     1 S   H    _H1_     3     1.02959    86.66751    26.09270
    4     1 S   H    _H2_     4     1.02836    23.98589   174.64079
    5     1 S   CT   _CA1     5     1.50109   131.58083   140.64046
    6     5 S   HC   _HA1     6     1.09575   105.24119    73.22014
    7     5 S   CO3  _C1_     7     1.53775   112.37520   -47.00523
    8     7 S   O2Z  _O11     8     1.26355   115.00223   -44.72964
    9     7 S   O2Z  _O12     9     1.26236   114.91475   134.48282
   10     5 S   CT   _CB1    10     1.53096   107.43553  -168.88702
   11    10 S   HC   HB11    11     1.09825   109.31336   -51.08490
   12    10 S   HC   HB12    12     1.09822   110.43411    65.45121
   13    10 S   CT   _CG1    13     1.53019   112.67964  -172.19802
   14    13 S   HC   HG11    14     1.09594   110.44021   -63.84985
   15    13 S   HC   HG12    15     1.09650   110.00054    55.39055
   16    13 S   C    _CD1    16     1.51797   112.27996   175.72067
   17    16 S   O    _OE1    17     1.22730   123.23440    -2.17709
   18    16 S   N    _N2_    18     1.38644   111.68651   177.94843
   19    18 S   H    _HN2    19     1.01594   119.07448     0.48376
   20    18 S   CT1  _CA2    20     1.46100   123.29222   179.88465
   21    20 S   HC   _HA2    21     1.09568   109.20294   -11.97223
   22    20 S   C    _C2_    22     1.53475   108.67178  -127.01027
   23    22 S   O    _O2_    23     1.23020   122.13977  -148.03870
   24    20 S   CT   _CB2    32     1.53420   111.77710   110.53043
   25    24 S   HC   HB21    33     1.09666   109.44174    60.68029
   26    24 S   HC   HB22    34     1.09483   110.92041   177.64125
   27    22 S   N    _N3_    24     1.38480   113.43397    39.55247
   28    27 S   H    _HN3    25     1.01522   118.90762    -0.98755
   29    24 S   S    _SG2    35     1.83060   114.69002   -58.77305
   30    27 S   CT   _CA3    26     1.45457   123.57314   174.69419
   31    30 S   HC   HA31    27     1.09513   109.38066    21.52248
   32    30 S   HC   HA32    28     1.09498   107.09211   138.58799
   33    29 S   CT   _C15    36     1.82937   100.46540   -68.17338
   34    33 S   HC   _H3_    37     1.09371   106.96893    58.36462
   35    30 S   CO3  _C3_    29     1.52932   113.00515  -102.02512
   36    35 S   O2Z  _O31    30     1.26413   115.38706   -44.04611
   37    35 S   O2Z  _O32    31     1.26348   114.99039   136.84101
   38    33 S   CT   _C13    38     1.53795   116.78256   -65.63046
   39    38 S   HC   _H31    39     1.09535   109.35546    97.99990
   40    38 S   CT   _C9_    40     1.56147   106.88137  -140.47255
   41    40 S   HC   _H27    41     1.09983   106.95253   105.39934
   42    38 S   OH   _O19    75     1.42541   112.99605   -21.40465
   43    42 S   HO   _H41    76     0.97274   107.86793   -46.39893
   44    40 S   CT   _C10    42     1.54306   111.69926  -138.64536
   45    44 S   HC   _H28    43     1.09883   108.48475    46.93491
   46    40 S   CT   _C16    60     1.55487   105.73287    -9.44648
   47    44 S   CT   _C7_    44     1.53494   116.07912   166.49378
   48    47 S   HC   _H24    45     1.10013   108.73350   156.70111
   49    47 S   HC   _H25    46     1.09529   109.32713   -92.83837
   50    33 S   CT   _C14    61     1.53055   111.00501   176.11788
   51    50 S   HC   _H32    62     1.09675   109.96295    46.03911
   52    46 S   CT   _C18    65     1.54525   114.10533   -84.60678
   53    52 S   HC   _H37    66     1.09565   111.17002   168.79941
   54    52 S   HC   _H38    67     1.09431   112.21222    48.37852
   55    52 S   HC   _H39    68     1.08784   113.22041   -72.12406
   56    44 S   CT   _C17    71     1.53971   110.21031   -68.84805
   57    56 S   HC   _H34    72     1.09520   111.20220   -62.69914
   58    56 S   HC   _H35    73     1.09560   110.90425   177.16282
   59    56 S   HC   _H36    74     1.09397   111.59052    58.23186
   60    47 S   CT   _C11    47     1.53218   118.09308    33.56029
   61    60 S   HC   _H29    48     1.09549   110.64006    53.13945
   62    50 S   OH   _O20    63     1.41934   111.90328   -73.65472
   63    62 S   HO   _H42    64     0.97316   107.23942    54.04478
   64    60 S   CT   _C8_    49     1.52766   119.23365   -77.45559
   65    64 S   HC   _H26    50     1.10408   104.98580   175.28752
   66    64 S   CM   _C4_    51     1.49253   100.23900   -78.27457
   67    64 S   CT   _C12    58     1.53750   120.10471    57.09709
   68    67 S   HC   _H30    59     1.09717   109.20688  -164.77002
   69    66 S   CO4  _C5_    52     1.48354   106.59613   -30.07540
   70    69 S   O    _O16    53     1.21688   127.30473  -166.79986
   71    66 S   CM   _C6_    55     1.33487   131.53394   150.31901
   72    71 S   HC   _H22    56     1.08410   121.49374    -0.00000
   73    71 S   HC   _H23    57     1.08545   121.46956   179.87489
   74    67 S   OH   _O18    69     1.44227   105.62454    82.82657
   75    74 S   HO   _H40    70     0.97291   107.69390    68.04357
   76    60 S   OS   _O17    54     1.45710   105.23318   169.03019
  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  10   5   4   3
  15   8   2   1   1  15   7  25   9   4   1  16   9  18  14   6
   5  11   4   8   3   2   1   4   2   1   1  11   6   2   1  12
   7   9   6   2   5   2   3   1   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    50    51    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    67    46    50    51    62    63    52    42    43  
   38    39    40    46    50    51    62    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    67    46    50    51    62    52    56    42    43  
   40    41    44    46    50    42    43  
   41    44    45    47    48    49    60    64    67    68    46    50    51    62    52    53    54    55    74    56    57    58    59    42    43  
   44    45    47    67    46    50    52    56    42  
   43    44    46    50  
    0  
   45    47    48    49    60    61    64    76    67    46    50    52    56    57    58    59  
   47    48    49    60    46    56    57    58    59  
   50    51    62    63    52    53    54    55    74    75    56    47    60    64    65    66    67    68  
   48    49    60    61    64    65    66    69    76    67    56    57    58    59  
   49    60    61    64    76    56  
   60    61    64    76    56  
   51    62    63    52    53    54    55    74    64    67    68  
   62    63    52    67  
   53    54    55    74    62    64    67    68  
   54    55    67  
   55    67  
   67  
   57    58    59    60  
   58    59  
   59  
    0  
   61    64    65    66    69    70    76    71    67    68    74  
   64    65    66    69    76    67  
   63    67  
    0  
   65    66    69    70    76    71    72    73    67    68    74    75  
   66    69    76    71    67    68    74  
   69    70    76    71    72    73    67    68    74  
   68    74    75    69    71    76  
   74    75  
   70    76    71    72    73  
   76    71  
   72    73    76  
   73  
    0  
   75  
    0  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    56   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    76   320.000  1.410
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    67   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    76   214.000  1.327
   71    72   340.000  1.080
   71    73   340.000  1.080
   67    68   340.000  1.090
   67    46   268.000  1.529
   67    74   320.000  1.410
   46    50   268.000  1.529
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    62   320.000  1.410
   62    63   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   74    75   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    56    58.35000  112.70000
   40    46    67    58.35000  112.70000
   40    46    50    58.35000  112.70000
   40    46    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    60    58.35000  112.70000
   44    56    57    37.50000  110.70000
   44    56    58    37.50000  110.70000
   44    56    59    37.50000  110.70000
   47    44    45    37.50000  110.70000
   47    60    61    37.50000  110.70000
   47    60    64    58.35000  112.70000
   47    60    76    50.00000  109.50000
   49    47    48    33.00000  107.80000
   60    47    48    37.50000  110.70000
   60    47    49    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    70.00000  112.02700
   60    64    67    58.35000  112.70000
   60    76    69    83.00000  116.90000
   64    60    61    37.50000  110.70000
   64    66    69    65.00000  116.34900
   64    66    71    70.00000  124.00000
   64    67    68    37.50000  110.70000
   64    67    46    58.35000  112.70000
   64    67    74    50.00000  109.50000
   66    64    65    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    76    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   76    60    61    35.00000  109.50000
   76    60    64    50.00000  109.50000
   76    69    70    83.00000  123.40000
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   67    64    65    37.50000  110.70000
   67    64    66    70.00000  112.02700
   67    46    50    58.35000  112.70000
   67    46    52    58.35000  112.70000
   67    74    75    55.00000  108.50000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    67    68    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    62    50.00000  109.50000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    62    63    55.00000  108.50000
   62    50    51    35.00000  109.50000
   52    46    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    46    50.00000  109.50000
   56    44    45    37.50000  110.70000
   56    44    47    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    62   0.56750  1.0 1.0
   29    33    50    62  -0.07550 -1.0 2.0
   29    33    50    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38   -40    46   0.56750  1.0 1.0
   33    38   -40    46  -0.07550 -1.0 2.0
   33    38   -40    46   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    50    62    63  -0.11600  1.0 1.0
   33    50    62    63  -0.09450 -1.0 2.0
   33    50    62    63   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    46   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    62   0.23400  1.0 3.0
   38    33   -50    46   0.56750  1.0 1.0
   38    33   -50    46  -0.07550 -1.0 2.0
   38    33   -50    46   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    62   0.86500  1.0 1.0
   38    33    50    62  -0.17500 -1.0 2.0
   38    33    50    62   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    47   0.56750  1.0 1.0
   38    40    44    47  -0.07550 -1.0 2.0
   38    40    44    47   0.20000  1.0 3.0
   38    40    44    56   0.56750  1.0 1.0
   38    40    44    56  -0.07550 -1.0 2.0
   38    40    44    56   0.20000  1.0 3.0
   38    40    46    67   0.56750  1.0 1.0
   38    40    46    67  -0.07550 -1.0 2.0
   38    40    46    67   0.20000  1.0 3.0
   38    40   -46    50   0.56750  1.0 1.0
   38    40   -46    50  -0.07550 -1.0 2.0
   38    40   -46    50   0.20000  1.0 3.0
   38    40    46    52   0.56750  1.0 1.0
   38    40    46    52  -0.07550 -1.0 2.0
   38    40    46    52   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    60   0.56750  1.0 1.0
   40    44    47    60  -0.07550 -1.0 2.0
   40    44    47    60   0.20000  1.0 3.0
   40    44    56    57   0.15000  1.0 3.0
   40    44    56    58   0.15000  1.0 3.0
   40    44    56    59   0.15000  1.0 3.0
   40    46   -50    33   0.56750  1.0 1.0
   40    46   -50    33  -0.07550 -1.0 2.0
   40    46   -50    33   0.20000  1.0 3.0
   40    46    50    51   0.15000  1.0 3.0
   40    46    50    62   0.86500  1.0 1.0
   40    46    50    62  -0.17500 -1.0 2.0
   40    46    50    62   0.20800  1.0 3.0
   40    46    52    53   0.15000  1.0 3.0
   40    46    52    54   0.15000  1.0 3.0
   40    46    52    55   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    56   0.15000  1.0 3.0
   41    40    46    67   0.15000  1.0 3.0
   41    40    46    50   0.15000  1.0 3.0
   41    40    46    52   0.15000  1.0 3.0
   44    40    46    67   0.56750  1.0 1.0
   44    40    46    67  -0.07550 -1.0 2.0
   44    40    46    67   0.20000  1.0 3.0
   44    40    46    50   0.56750  1.0 1.0
   44    40    46    50  -0.07550 -1.0 2.0
   44    40    46    50   0.20000  1.0 3.0
   44    40    46    52   0.56750  1.0 1.0
   44    40    46    52  -0.07550 -1.0 2.0
   44    40    46    52   0.20000  1.0 3.0
   44    47    60    61   0.15000  1.0 3.0
   44    47    60    64   0.56750  1.0 1.0
   44    47    60    64  -0.07550 -1.0 2.0
   44    47    60    64   0.20000  1.0 3.0
   44    47    60    76   0.62750  1.0 1.0
   44    47    60    76  -0.30950 -1.0 2.0
   44    47    60    76   0.27300  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    60   0.15000  1.0 3.0
   45    44    56    57   0.15000  1.0 3.0
   45    44    56    58   0.15000  1.0 3.0
   45    44    56    59   0.15000  1.0 3.0
   47    44    56    57   0.15000  1.0 3.0
   47    44    56    58   0.15000  1.0 3.0
   47    44    56    59   0.15000  1.0 3.0
   47    60    64    65   0.15000  1.0 3.0
   47    60    64    66   0.34400  1.0 1.0
   47    60    64    66   0.09450 -1.0 2.0
   47    60    64    66   0.11100  1.0 3.0
   47    60    64    67   0.56750  1.0 1.0
   47    60    64    67  -0.07550 -1.0 2.0
   47    60    64    67   0.20000  1.0 3.0
   47    60    76    69  -0.25900  1.0 1.0
   47    60    76    69  -0.47000 -1.0 2.0
   47    60    76    69   0.11750  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    64   0.15000  1.0 3.0
   48    47    60    76   0.23400  1.0 3.0
   49    47    60    61   0.15000  1.0 3.0
   49    47    60    64   0.15000  1.0 3.0
   49    47    60    76   0.23400  1.0 3.0
   60    64   -66    69   0.09700  1.0 1.0
   60    64   -66    69   0.15600 -1.0 2.0
   60    64   -66    69  -0.50800  1.0 3.0
   60    64    66    71   0.09850  1.0 1.0
   60    64    66    71   0.15250 -1.0 2.0
   60    64    66    71  -0.50650  1.0 3.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    46   0.56750  1.0 1.0
   60    64    67    46  -0.07550 -1.0 2.0
   60    64    67    46   0.20000  1.0 3.0
   60    64    67    74   0.86500  1.0 1.0
   60    64    67    74  -0.17500 -1.0 2.0
   60    64    67    74   0.20800  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    76    69   0.08050  1.0 3.0
   64    60   -76    69  -0.25900  1.0 1.0
   64    60   -76    69  -0.47000 -1.0 2.0
   64    60   -76    69   0.11750  1.0 3.0
   64    66    69    70  -0.64400  1.0 1.0
   64    66    69    70   0.26850 -1.0 2.0
   64    66   -69    76  -0.15000  1.0 1.0
   64    66   -69    76   0.89550 -1.0 2.0
   64    66   -69    76  -0.06900  1.0 3.0
   64    66    71    72   7.00000 -1.0 2.0
   64    66    71    73   7.00000 -1.0 2.0
   64    67    46    40   0.56750  1.0 1.0
   64    67    46    40  -0.07550 -1.0 2.0
   64    67    46    40   0.20000  1.0 3.0
   64    67    46    50   0.56750  1.0 1.0
   64    67    46    50  -0.07550 -1.0 2.0
   64    67    46    50   0.20000  1.0 3.0
   64    67    46    52   0.56750  1.0 1.0
   64    67    46    52  -0.07550 -1.0 2.0
   64    67    46    52   0.20000  1.0 3.0
   64    67    74    75  -0.11600  1.0 1.0
   64    67    74    75  -0.09450 -1.0 2.0
   64    67    74    75   0.21250  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64    66    71   0.00000  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    46   0.15000  1.0 3.0
   65    64    67    74   0.23400  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    46   0.34400  1.0 1.0
   66    64    67    46   0.09450 -1.0 2.0
   66    64    67    46   0.11100  1.0 3.0
   66    64    67    74   1.05650  1.0 1.0
   66    64    67    74   0.15600 -1.0 2.0
   66    64    67    74   0.53150  1.0 3.0
   66    69   -76    60   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   70    69    76    60   3.00000 -1.0 2.0
   76    60    64    65   0.23400  1.0 3.0
   76    60   -64    66   0.61850  1.0 1.0
   76    60   -64    66  -0.22750 -1.0 2.0
   76    60   -64    66   0.15300  1.0 3.0
   76    60    64    67   0.62750  1.0 1.0
   76    60    64    67  -0.30950 -1.0 2.0
   76    60    64    67   0.27300  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    76  -0.56150  1.0 1.0
   71    66    69    76   2.19150 -1.0 2.0
   67    64    66    69   0.09700  1.0 1.0
   67    64    66    69   0.15600 -1.0 2.0
   67    64    66    69  -0.50800  1.0 3.0
   67    64    66    71   0.09850  1.0 1.0
   67    64    66    71   0.15250 -1.0 2.0
   67    64    66    71  -0.50650  1.0 3.0
   67    46    50    33   0.56750  1.0 1.0
   67    46    50    33  -0.07550 -1.0 2.0
   67    46    50    33   0.20000  1.0 3.0
   67    46    50    51   0.15000  1.0 3.0
   67    46    50    62   0.86500  1.0 1.0
   67    46    50    62  -0.17500 -1.0 2.0
   67    46    50    62   0.20800  1.0 3.0
   67    46    52    53   0.15000  1.0 3.0
   67    46    52    54   0.15000  1.0 3.0
   67    46    52    55   0.15000  1.0 3.0
   68    67    46    40   0.15000  1.0 3.0
   68    67    46    50   0.15000  1.0 3.0
   68    67    46    52   0.15000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    47   0.56750  1.0 1.0
   46    40    44    47  -0.07550 -1.0 2.0
   46    40    44    47   0.20000  1.0 3.0
   46    40    44    56   0.56750  1.0 1.0
   46    40    44    56  -0.07550 -1.0 2.0
   46    40    44    56   0.20000  1.0 3.0
   46    67    74    75  -0.11600  1.0 1.0
   46    67    74    75  -0.09450 -1.0 2.0
   46    67    74    75   0.21250  1.0 3.0
   46    50    62    63  -0.11600  1.0 1.0
   46    50    62    63  -0.09450 -1.0 2.0
   46    50    62    63   0.21250  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    42   0.86500  1.0 1.0
   50    33    38    42  -0.17500 -1.0 2.0
   50    33    38    42   0.20800  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   51    50    62    63   0.19450  1.0 3.0
   52    46    50    33   0.56750  1.0 1.0
   52    46    50    33  -0.07550 -1.0 2.0
   52    46    50    33   0.20000  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    62   0.86500  1.0 1.0
   52    46    50    62  -0.17500 -1.0 2.0
   52    46    50    62   0.20800  1.0 3.0
   74    67    46    40   0.86500  1.0 1.0
   74    67    46    40  -0.17500 -1.0 2.0
   74    67    46    40   0.20800  1.0 3.0
   74    67    46    50   0.86500  1.0 1.0
   74    67    46    50  -0.17500 -1.0 2.0
   74    67    46    50   0.20800  1.0 3.0
   74    67    46    52   0.86500  1.0 1.0
   74    67    46    52  -0.17500 -1.0 2.0
   74    67    46    52   0.20800  1.0 3.0
   56    44    47    48   0.15000  1.0 3.0
   56    44    47    49   0.15000  1.0 3.0
   56    44    47    60   0.56750  1.0 1.0
   56    44    47    60  -0.07550 -1.0 2.0
   56    44    47    60   0.20000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   0.86500  1.0 1.0
   42    38    40    46  -0.17500 -1.0 2.0
   42    38    40    46   0.20800  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
   64    69    66    71   1.10000 -1.0 2.0
   66    76    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
END
