* LIGAND DATABASE FILE (OPLS2005)
*
001      79    78    138    198     402
    1     0 S   NP   _N1_     1    28.90325    96.37727   -20.70709
    2     1 S   H    _HN1     2     1.02773    87.92599  -104.91251
    3     1 S   H    _H1_     3     1.02947    78.59657     4.38320
    4     1 S   H    _H2_     4     1.02827    42.71688   135.51816
    5     1 S   CT   _CA1     5     1.50152   152.34268   116.66945
    6     5 S   HC   _HA1     6     1.09553   105.23445    72.89775
    7     5 S   CO3  _C1_     7     1.54020   112.50435   -47.51592
    8     7 S   O2Z  _O11     8     1.26405   114.93097   -34.74268
    9     7 S   O2Z  _O12     9     1.26243   115.18505   144.44238
   10     5 S   CT   _CB1    10     1.53149   107.46910  -168.55542
   11    10 S   HC   HB11    11     1.09810   110.10016   -43.12173
   12    10 S   HC   HB12    12     1.09808   110.20917    73.81860
   13    10 S   CT   _CG1    13     1.52848   112.17500  -163.82609
   14    13 S   HC   HG11    14     1.09463   110.48027   -56.59196
   15    13 S   HC   HG12    15     1.09582   109.69959    62.63708
   16    13 S   C    _CD1    16     1.51623   112.77575  -176.63827
   17    16 S   O    _OE1    17     1.22712   123.31826    -2.24934
   18    16 S   N    _N2_    18     1.38539   111.35698   177.15222
   19    18 S   H    _HN2    19     1.02036   119.02249     4.49209
   20    18 S   CT1  _CA2    20     1.45996   123.70156  -174.93945
   21    20 S   HC   _HA2    21     1.09729   109.27768    -3.48560
   22    20 S   C    _C2_    22     1.53460   109.51978  -119.48827
   23    22 S   O    _O2_    23     1.23097   121.96657  -152.25423
   24    20 S   CT   _CB2    32     1.53508   110.85335   118.03994
   25    24 S   HC   HB21    33     1.09431   109.35832    58.29876
   26    24 S   HC   HB22    34     1.09466   110.17545   176.76070
   27    22 S   N    _N3_    24     1.38426   113.79755    35.60600
   28    27 S   H    _HN3    25     1.01496   118.85637    -2.57405
   29    24 S   S    _SG2    35     1.83313   111.08294   -63.68779
   30    27 S   CT   _CA3    26     1.45396   123.37713   174.84851
   31    30 S   HC   HA31    27     1.09537   109.02721    28.53598
   32    30 S   HC   HA32    28     1.09494   107.18736   145.45734
   33    29 S   CT   _C5_    36     1.88734   101.39276   162.20040
   34    33 S   OM   _O33    37     1.32050   107.56352   173.22196
   35    30 S   CO3  _C3_    29     1.52932   113.22108   -94.81579
   36    35 S   O2Z  _O31    30     1.26406   115.47857   -45.37186
   37    35 S   O2Z  _O32    31     1.26385   114.99446   135.59258
   38    33 S   NT   _N4_    38     1.49576   109.64474    49.41592
   39    33 S   S    _S1_    45     1.89622   107.72203   -69.67515
   40    38 S   CT   _C4_    39     1.46290   116.35544   177.54345
   41    40 S   HC   _H3_    40     1.09634   109.43115  -179.84051
   42    40 S   HC   _H4_    41     1.09401   111.88103    62.97794
   43    40 S   HC   _H5_    42     1.09565   113.08532   -60.10559
   44    38 S   OH   _O40    43     1.45947   108.22616    61.11372
   45    44 S   HO   _H21    44     0.97192    99.58640  -111.93571
   46    39 S   CT   _C6_    46     1.84039   102.96941   -58.06086
   47    46 S   HC   _H6_    47     1.09405   108.43703    72.54438
   48    46 S   HC   _H7_    48     1.09397   109.29241   -45.58266
   49    46 S   CT1  _C7_    49     1.53813   112.48462  -166.26877
   50    49 S   HC   _H8_    50     1.09783   108.15049   176.60102
   51    49 S   C    _C8_    51     1.53005   112.63854   -64.16760
   52    51 S   O    _O34    52     1.23023   122.55507    98.88924
   53    49 S   N    _N6_    61     1.45846   112.63622    58.48491
   54    53 S   H    _H12    62     1.01616   117.38956   -94.61121
   55    51 S   N    _N5_    53     1.38507   112.75447   -80.08584
   56    55 S   H    _H9_    54     1.01825   119.75883    -2.85444
   57    53 S   C    _C11    63     1.38469   123.07346    82.35426
   58    57 S   O    _O37    64     1.22743   124.93421     1.04436
   59    55 S   CT   _C9_    55     1.45491   123.15635   177.51557
   60    59 S   HC   _H10    56     1.09486   109.94297    17.02549
   61    59 S   HC   _H11    57     1.09528   106.42200   133.95882
   62    57 S   CT   _C12    65     1.51923   111.72045  -179.73020
   63    62 S   HC   _H13    66     1.09591   108.06303    57.88363
   64    62 S   HC   _H14    67     1.09560   107.43979   -58.42112
   65    59 S   CO3  _C10    58     1.52876   113.75180  -104.89959
   66    65 S   O2Z  _O36    59     1.26329   116.07996    38.13814
   67    65 S   O2Z  _O35    60     1.26452   114.66194  -141.86432
   68    62 S   CT   _C13    68     1.53114   112.20835   179.79923
   69    68 S   HC   _H15    69     1.09836   109.19742    56.18217
   70    68 S   HC   _H16    70     1.09787   108.85464   -58.64013
   71    68 S   CT   _C14    71     1.53236   114.43377   178.74384
   72    71 S   HC   _H17    72     1.09700   108.28107  -178.79699
   73    71 S   CO3  _C15    73     1.54090   114.43395    62.92107
   74    73 S   O2Z  _O39    74     1.26166   115.67662    41.46748
   75    73 S   O2Z  _O38    75     1.26465   114.72346  -139.48345
   76    71 S   NP   _N7_    76     1.50065   108.92346   -65.86962
   77    76 S   H    _H18    77     1.02798   111.41861    68.69768
   78    76 S   H    _H19    78     1.02758   112.42297   -53.49456
   79    76 S   H    _H20    79     1.02919   109.78382  -173.80413
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   2   1   1   8   9   5   3   2   1   1   1  10   5   4
  11   6  10   4   8   3   7   4   8   4   5   4   3   9   5   4
   2   1   1  11   5   4   8   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    44    39    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    43    44    45    39    46    47    48    49  
   38    40    44    39    46  
   36    37  
   37  
    0  
   40    41    42    43    44    45    39    46  
   46    47    48    49    50    51    53    40    44  
   41    42    43    44    45  
   42    43    44  
   43    44  
   44  
   45  
    0  
   47    48    49    50    51    52    55    53    54    57  
   48    49    50    51    53  
   49    50    51    53  
   50    51    52    55    56    59    53    54    57    58    62  
   51    52    55    53    54    57  
   52    55    56    59    60    61    65    53    54    57  
   55    56    59    53  
   54    57    58    62    63    64    68    55  
   57    58    62  
   56    59    60    61    65    66    67  
   59    60    61    65  
   58    62    63    64    68    69    70    71  
   62    63    64    68  
   60    61    65    66    67  
   61    65    66    67  
   65    66    67  
   63    64    68    69    70    71    72    73    76  
   64    68    69    70    71  
   68    69    70    71  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    76    77    78    79  
   70    71    72    73    76  
   71    72    73    76  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79  
   75    76  
   76  
   77    78    79  
   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  -0.175000   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   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.3000   0.1700  -0.288200   1.9050   1.6860   0.051222218  -2.220205820
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5000   0.0660   0.028100   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.493100   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.450700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   74   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   75   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   76   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   77   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   382.000  1.448
   33    39   222.000  1.810
   38    40   382.000  1.448
   38    44   270.000  1.440
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   553.000  0.945
   39    46   222.000  1.810
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   337.000  1.449
   51    52   570.000  1.229
   51    55   490.000  1.335
   55    56   434.000  1.010
   55    59   337.000  1.449
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   317.000  1.522
   65    66   656.000  1.250
   65    67   656.000  1.250
   53    54   434.000  1.010
   53    57   490.000  1.335
   57    58   570.000  1.229
   57    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   317.000  1.522
   71    76   367.000  1.471
   73    74   656.000  1.250
   73    75   656.000  1.250
   76    77   434.000  1.010
   76    78   434.000  1.010
   76    79   434.000  1.010
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    85.00000  114.68000
   29    33    38    85.00000  109.00000
   29    33    39    75.00000  118.28000
   33    38    40    51.80000  107.20000
   33    38    44   110.00000  104.48500
   33    39    46    62.00000   98.90000
   38    33    34   110.00000  105.70000
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    43    35.00000  109.50000
   38    44    45    75.00000  101.59700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    38    40   110.00000  104.48500
   39    33    34    85.00000  114.68000
   39    33    38    85.00000  109.00000
   39    46    47    35.00000  109.50000
   39    46    48    35.00000  109.50000
   39    46    49    75.00000  108.68000
   46    49    50    37.50000  110.70000
   46    49    51    63.00000  111.10000
   46    49    53    80.00000  109.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    80.00000  120.40000
   49    51    55    70.00000  116.60000
   49    53    54    38.00000  118.40000
   49    53    57    50.00000  121.90000
   51    49    50    35.00000  109.50000
   51    55    56    35.00000  119.80000
   51    55    59    50.00000  121.90000
   55    51    52    80.00000  122.90000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    65    63.00000  110.10000
   59    55    56    38.00000  118.40000
   59    65    66    70.00000  117.00000
   59    65    67    70.00000  117.00000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   67    65    66    80.00000  126.00000
   53    49    50    35.00000  109.50000
   53    49    51    63.00000  110.10000
   53    57    58    80.00000  122.90000
   53    57    62    70.00000  116.60000
   57    53    54    35.00000  119.80000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    63.00000  111.10000
   62    57    58    80.00000  120.40000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    70.00000  109.69300
   68    71    76    80.00000  111.20000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    70.00000  117.00000
   71    73    75    70.00000  117.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   73    71    72    35.00000  109.50000
   75    73    74    80.00000  126.00000
   76    71    72    35.00000  109.50000
   76    71    73    80.00000  109.26000
   78    76    77    35.00000  109.50000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40   0.23200  1.0 1.0
   29    33    38    40   0.02100 -1.0 2.0
   29    33    38    40   0.24950  1.0 3.0
   29    33    38    44   0.23200  1.0 1.0
   29    33    38    44   0.02100 -1.0 2.0
   29    33    38    44   0.24950  1.0 3.0
   29    33    39    46   0.08500  1.0 1.0
   29    33    39    46  -0.53150 -1.0 2.0
   29    33    39    46   0.48050  1.0 3.0
   33    38    40    41   0.28000  1.0 3.0
   33    38    40    42   0.28000  1.0 3.0
   33    38    40    43   0.28000  1.0 3.0
   33    38    44    45  -0.45100  1.0 1.0
   33    38    44    45  -2.35050 -1.0 2.0
   33    38    44    45   0.34450  1.0 3.0
   33    39    46    47   0.32350  1.0 3.0
   33    39    46    48   0.32350  1.0 3.0
   33    39    46    49   0.01700  1.0 1.0
   33    39    46    49  -0.23550 -1.0 2.0
   33    39    46    49   0.21350  1.0 3.0
   34    33    38    40   0.23200  1.0 1.0
   34    33    38    40   0.02100 -1.0 2.0
   34    33    38    40   0.24950  1.0 3.0
   34    33    38    44   0.23200  1.0 1.0
   34    33    38    44   0.02100 -1.0 2.0
   34    33    38    44   0.24950  1.0 3.0
   34    33    39    46   0.13850  1.0 1.0
   34    33    39    46  -1.34450 -1.0 2.0
   34    33    39    46   0.57400  1.0 3.0
   38    33    39    46   0.01700  1.0 1.0
   38    33    39    46  -0.23550 -1.0 2.0
   38    33    39    46   0.21350  1.0 3.0
   40    38    44    45  -0.45100  1.0 1.0
   40    38    44    45  -2.35050 -1.0 2.0
   40    38    44    45   0.34450  1.0 3.0
   44    38    40    41   0.28100  1.0 3.0
   44    38    40    42   0.28100  1.0 3.0
   44    38    40    43   0.28100  1.0 3.0
   39    33    38    40   0.23200  1.0 1.0
   39    33    38    40   0.02100 -1.0 2.0
   39    33    38    40   0.24950  1.0 3.0
   39    33    38    44   0.23200  1.0 1.0
   39    33    38    44   0.02100 -1.0 2.0
   39    33    38    44   0.24950  1.0 3.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51  -2.17200  1.0 1.0
   39    46    49    51  -0.85700 -1.0 2.0
   39    46    49    53   0.71400  1.0 1.0
   39    46    49    53   0.04300 -1.0 2.0
   39    46    49    53   0.01450  1.0 3.0
   46    49    51    52   0.00000  1.0 1.0
   46    49    51    55   0.93250  1.0 1.0
   46    49    51    55   0.04450 -1.0 2.0
   46    49    51    55   0.17550  1.0 3.0
   46    49    53    54   0.00000  1.0 1.0
   46    49    53    57   0.25950  1.0 1.0
   46    49    53    57   0.43850 -1.0 2.0
   46    49    53    57   2.61650  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51  -0.03800  1.0 3.0
   47    46    49    53   0.23200  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51  -0.03800  1.0 3.0
   48    46    49    53   0.23200  1.0 3.0
   49    51    55    56   2.45000 -1.0 2.0
   49    51    55    59   1.15000  1.0 1.0
   49    51    55    59   3.04450 -1.0 2.0
   49    53    57    58   3.04450 -1.0 2.0
   49    53    57    62   1.15000  1.0 1.0
   49    53    57    62   3.04450 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    55   0.00000  1.0 1.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    57   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    57  -0.29800  1.0 1.0
   51    49    53    57   0.13950 -1.0 2.0
   51    49    53    57  -2.45650  1.0 3.0
   51    55    59    60   0.00000  1.0 1.0
   51    55    59    61   0.00000  1.0 1.0
   51    55    59    65  -0.29800  1.0 1.0
   51    55    59    65   0.13950 -1.0 2.0
   51    55    59    65  -2.45650  1.0 3.0
   52    51    55    56   2.45000 -1.0 2.0
   52    51    55    59   3.04450 -1.0 2.0
   55    59    65    66   0.00000  1.0 1.0
   55    59    65    67   0.00000  1.0 1.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    65   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   61    59    65    66   0.00000  1.0 1.0
   61    59    65    67   0.00000  1.0 1.0
   53    49    51    52   0.00000  1.0 1.0
   53    49    51    55   0.37150  1.0 1.0
   53    49    51    55   1.25400 -1.0 2.0
   53    49    51    55  -0.40250  1.0 3.0
   53    57    62    63   0.00000  1.0 1.0
   53    57    62    64   0.00000  1.0 1.0
   53    57    62    68   1.39750  1.0 1.0
   53    57    62    68  -0.07950 -1.0 2.0
   53    57    62    68  -0.18750  1.0 3.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    62   2.45000 -1.0 2.0
   57    62    68    69  -0.11250  1.0 3.0
   57    62    68    70  -0.11250  1.0 3.0
   57    62    68    71  -0.95700  1.0 1.0
   57    62    68    71  -0.18200 -1.0 2.0
   57    62    68    71   0.29450  1.0 3.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    64   0.00000  1.0 1.0
   58    57    62    68   0.30150 -1.0 2.0
   62    68    71    72   0.15000  1.0 3.0
   62    68    71    73  -1.63150  1.0 1.0
   62    68    71    73  -0.43550 -1.0 2.0
   62    68    71    73   0.24500  1.0 3.0
   62    68    71    76   1.36600  1.0 1.0
   62    68    71    76  -0.11450 -1.0 2.0
   62    68    71    76   0.24250  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    71   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   68    71    73    74   0.41150 -1.0 2.0
   68    71    73    75   0.41150 -1.0 2.0
   68    71    76    77   0.17350  1.0 3.0
   68    71    76    78   0.17350  1.0 3.0
   68    71    76    79   0.17350  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73  -0.11250  1.0 3.0
   69    68    71    76   0.19200  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73  -0.11250  1.0 3.0
   70    68    71    76   0.19200  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    76    77   0.13050  1.0 3.0
   72    71    76    78   0.13050  1.0 3.0
   72    71    76    79   0.13050  1.0 3.0
   73    71    76    77   0.17350  1.0 3.0
   73    71    76    78   0.17350  1.0 3.0
   73    71    76    79   0.17350  1.0 3.0
   76    71    73    74   0.30150 -1.0 2.0
   76    71    73    75   0.30150 -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
   36    30    35    37  10.50000 -1.0 2.0
   49    55    51    52  10.50000 -1.0 2.0
   56    51    55    59   1.00000 -1.0 2.0
   66    59    65    67  10.50000 -1.0 2.0
   54    57    53    49   1.00000 -1.0 2.0
   53    62    57    58  10.50000 -1.0 2.0
   74    71    73    75  10.50000 -1.0 2.0
END
