* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    147    238     449
    1     0 S   NP   _N1_     1    28.72561    94.41876   -21.59897
    2     1 S   H    _HN1     2     1.02778    92.35135   -79.20436
    3     1 S   H    _H1_     3     1.02957    90.35018    29.13600
    4     1 S   H    _H2_     4     1.02837    28.56194   156.23409
    5     1 S   CT   _CA1     5     1.50116   139.25180   151.94917
    6     5 S   HC   _HA1     6     1.09577   105.23933    61.46914
    7     5 S   CO3  _C1_     7     1.53802   112.23201   -58.72817
    8     7 S   O2Z  _O11     8     1.26364   115.00306   -47.30692
    9     7 S   O2Z  _O12     9     1.26229   114.88405   131.68451
   10     5 S   CT   _CB1    10     1.53081   107.41408   179.30592
   11    10 S   HC   HB11    11     1.09825   109.36731   -50.85845
   12    10 S   HC   HB12    12     1.09819   110.43160    65.69522
   13    10 S   CT   _CG1    13     1.53005   112.64370  -171.94716
   14    13 S   HC   HG11    14     1.09576   110.40637   -62.60597
   15    13 S   HC   HG12    15     1.09644   110.03611    56.59376
   16    13 S   C    _CD1    16     1.51819   112.22480   176.90984
   17    16 S   O    _OE1    17     1.22729   123.23572    -3.98713
   18    16 S   N    _N2_    18     1.38611   111.69979   176.20821
   19    18 S   H    _HN2    19     1.01603   118.97982     1.03722
   20    18 S   CT1  _CA2    20     1.46288   123.37722  -179.04961
   21    20 S   HC   _HA2    21     1.09730   109.40798   -11.27826
   22    20 S   C    _C2_    22     1.53418   108.41672  -127.01338
   23    22 S   O    _O2_    23     1.23016   122.18411  -146.21542
   24    20 S   CT   _CB2    32     1.53416   111.25073   110.79149
   25    24 S   HC   HB21    33     1.09389   109.43894    56.29965
   26    24 S   HC   HB22    34     1.09511   110.72191   174.63791
   27    22 S   N    _N3_    24     1.38488   113.39282    41.14201
   28    27 S   H    _HN3    25     1.01530   118.90591    -0.82638
   29    24 S   S    _SG2    35     1.82817   111.51180   -66.05644
   30    27 S   CT   _CA3    26     1.45468   123.60058   175.18570
   31    30 S   HC   HA31    27     1.09511   109.42128    20.43870
   32    30 S   HC   HA32    28     1.09501   107.07044   137.47162
   33    29 S   CT   _C12    36     1.85139   100.24014   154.84847
   34    33 S   HC   _H5_    37     1.09793   104.91787    43.67249
   35    30 S   CO3  _C3_    29     1.52919   113.01116  -103.16954
   36    35 S   O2Z  _O31    30     1.26413   115.37043   -44.96594
   37    35 S   O2Z  _O32    31     1.26350   115.00237   135.93807
   38    33 S   CT   _C13    38     1.54280   112.34978   -74.38913
   39    38 S   HC   _H6_    39     1.09989   106.90217    68.27546
   40    33 S   CT   _C11    54     1.54769   109.67673   158.57455
   41    40 S   HC   _H4_    55     1.09470   109.76765    55.76222
   42    38 S   CT   _C14    40     1.54457   110.96119  -175.48039
   43    40 S   OH   _O36    56     1.43020   108.00260   -60.15287
   44    43 S   HO   _H19    57     0.97247   108.01144   -58.67746
   45    38 S   CO4  _C16    75     1.52116   113.58336   -45.86529
   46    45 S   O    _O35    76     1.22815   122.87296   147.85548
   47    45 S   HC   _H18    77     1.10146   116.99978   -34.53949
   48    42 S   CT   _C5_    41     1.57893   114.94358    53.24252
   49    42 S   CO4  _C15    70     1.53386   110.90007  -177.15869
   50    49 S   O    _O33    71     1.22871   124.07388   110.05366
   51    49 S   HC   _H16    72     1.10154   116.42695   -68.55882
   52    42 S   OH   _O34    73     1.44540   105.72434   -64.83010
   53    52 S   HO   _H17    74     0.97356   108.20917   -63.96474
   54    48 S   CT   _C6_    42     1.56878   108.92092  -174.15517
   55    54 S   HC   _H10    43     1.09627   111.81569    18.71968
   56    54 S   HC   _H11    44     1.09860   109.29557   -96.47068
   57    48 S   CT   _C4_    66     1.55171   111.27600    67.76306
   58    57 S   HC   _H7_    67     1.08969   113.00169   -73.71546
   59    57 S   HC   _H8_    68     1.09192   112.32097   166.22749
   60    57 S   HC   _H9_    69     1.09334   112.11190    48.15785
   61    54 S   CT   _C7_    45     1.52643   115.40718   140.82870
   62    61 S   HC   _H12    46     1.09643   109.13146   157.08279
   63    61 S   HC   _H13    47     1.09671   109.50191   -87.14367
   64    61 S   CT   _C8_    48     1.51718   112.23602    35.06413
   65    64 S   HC   _H14    49     1.09557   109.01909    59.61823
   66    64 S   HC   _H15    50     1.09774   108.92288   173.26839
   67    64 S   CT   _C9_    51     1.55385   112.27823   -64.05022
   68    48 S   CT   _C10    52     1.58064   108.54395   -54.64897
   69    68 S   HC   _H3_    53     1.10149   105.45056   -59.84408
   70    67 S   CT   _C17    58     1.55433   106.64234   -89.59705
   71    70 S   HC   _H20    59     1.09229   112.61394  -173.28525
   72    70 S   HC   _H21    60     1.09531   111.48579    65.33743
   73    70 S   HC   _H22    61     1.09681   111.05374   -54.28608
   74    67 S   CT   _C18    62     1.54287   108.03993   155.89714
   75    74 S   HC   _H23    63     1.09442   112.11303   170.40003
   76    74 S   HC   _H24    64     1.09677   110.72965    51.34934
   77    74 S   HC   _H25    65     1.09273   112.13303   -68.26999
  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
  17   8   2   1   1  17   8  14   6  20   5   1   5   1   1  21
   7   2   1   4   1  15   7   6   7   3   2   1   9   5   4  13
   5   4  10   9   2   7   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    68    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    67    68    69    40    41    43    44    49    52    45    46    47  
   38    39    42    68    40    41    43    45  
   36    37  
   37  
    0  
   39    42    48    54    68    40    41    43    57    49    50    51    52    53    45    46    47  
   42    48    40    49    52    45    46    47  
   41    43    44    70    74    57    45    42    48    54    64    67    68    69  
   43    44    48    67    68    69  
   48    54    55    56    61    67    68    69    57    58    59    60    49    50    51    52    53    45    46    47  
   44    48    67    68    69  
   68  
   46    47    48    49    52  
   47  
    0  
   54    55    56    61    62    63    64    67    68    69    70    74    57    58    59    60    49    50    51    52    53  
   50    51    52    53    54    57    68  
   51    52  
   52  
   53    54    57    68  
    0  
   55    56    61    62    63    64    65    66    67    68    69    57    58    59    60  
   56    61    62    63    64    68    57  
   61    62    63    64    68    57  
   58    59    60    61    67    68    69  
   59    60    68  
   60    68  
   68  
   62    63    64    65    66    67    68    70    74  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72    73    74    75    76    77  
   66    67    68    70    74  
   67    68    70    74  
   68    69    70    71    72    73    74    75    76    77  
   69    70    71    72    73    74    75    76    77  
   70    74  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    45   317.000  1.522
   42    48   268.000  1.529
   42    49   317.000  1.522
   42    52   320.000  1.410
   48    54   268.000  1.529
   48    68   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    70   268.000  1.529
   67    74   268.000  1.529
   68    69   340.000  1.090
   68    40   268.000  1.529
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   570.000  1.229
   49    51   340.000  1.090
   52    53   553.000  0.945
   45    46   570.000  1.229
   45    47   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    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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    45    63.00000  111.10000
   33    40    68    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    48    58.35000  112.70000
   38    42    49    63.00000  111.10000
   38    42    52    50.00000  109.50000
   38    45    46    80.00000  120.40000
   38    45    47    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    48    54    58.35000  112.70000
   42    48    68    58.35000  112.70000
   42    48    57    58.35000  112.70000
   42    49    50    80.00000  120.40000
   42    49    51    35.00000  115.00000
   42    52    53    55.00000  108.50000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    61    58.35000  112.70000
   48    68    67    58.35000  112.70000
   48    68    69    37.50000  110.70000
   48    68    40    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    70    58.35000  112.70000
   64    67    74    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    40    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   68    48    54    58.35000  112.70000
   68    40    41    37.50000  110.70000
   68    40    43    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    68    69    37.50000  110.70000
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   70    67    68    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    68    58.35000  112.70000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    48    54    58.35000  112.70000
   57    48    68    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
   49    42    48    63.00000  111.10000
   51    49    50    35.00000  123.00000
   52    42    48    50.00000  109.50000
   52    42    49    90.00000  109.61100
   45    38    39    35.00000  109.50000
   45    38    42    63.00000  111.10000
   47    45    46    35.00000  123.00000
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    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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   33    38    42    49  -0.95700  1.0 1.0
   33    38    42    49  -0.18200 -1.0 2.0
   33    38    42    49   0.29450  1.0 3.0
   33    38    42    52   0.86500  1.0 1.0
   33    38    42    52  -0.17500 -1.0 2.0
   33    38    42    52   0.20800  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    47   0.74550  1.0 1.0
   33    38    45    47  -0.00500 -1.0 2.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    45  -0.11250  1.0 3.0
   34    33    40    68   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    68   0.56750  1.0 1.0
   38    33    40    68  -0.07550 -1.0 2.0
   38    33    40    68   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.86500  1.0 1.0
   38    33    40    43  -0.17500 -1.0 2.0
   38    33    40    43   0.20800  1.0 3.0
   38    42    48    54   0.56750  1.0 1.0
   38    42    48    54  -0.07550 -1.0 2.0
   38    42    48    54   0.20000  1.0 3.0
   38    42   -48    68   0.56750  1.0 1.0
   38    42   -48    68  -0.07550 -1.0 2.0
   38    42   -48    68   0.20000  1.0 3.0
   38    42    48    57   0.56750  1.0 1.0
   38    42    48    57  -0.07550 -1.0 2.0
   38    42    48    57   0.20000  1.0 3.0
   38    42    49    50   0.30150 -1.0 2.0
   38    42    49    51   0.74550  1.0 1.0
   38    42    49    51  -0.00500 -1.0 2.0
   38    42    52    53  -0.11600  1.0 1.0
   38    42    52    53  -0.09450 -1.0 2.0
   38    42    52    53   0.21250  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49  -0.11250  1.0 3.0
   39    38    42    52   0.23400  1.0 3.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    47   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    47   0.74550  1.0 1.0
   42    38    45    47  -0.00500 -1.0 2.0
   42    48    54    55   0.15000  1.0 3.0
   42    48    54    56   0.15000  1.0 3.0
   42    48    54    61   0.56750  1.0 1.0
   42    48    54    61  -0.07550 -1.0 2.0
   42    48    54    61   0.20000  1.0 3.0
   42    48    68    67   0.56750  1.0 1.0
   42    48    68    67  -0.07550 -1.0 2.0
   42    48    68    67   0.20000  1.0 3.0
   42    48    68    69   0.15000  1.0 3.0
   42    48    68    40   0.56750  1.0 1.0
   42    48    68    40  -0.07550 -1.0 2.0
   42    48    68    40   0.20000  1.0 3.0
   42    48    57    58   0.15000  1.0 3.0
   42    48    57    59   0.15000  1.0 3.0
   42    48    57    60   0.15000  1.0 3.0
   48    42    49    50   0.30150 -1.0 2.0
   48    42    49    51   0.74550  1.0 1.0
   48    42    49    51  -0.00500 -1.0 2.0
   48    42    52    53  -0.11600  1.0 1.0
   48    42    52    53  -0.09450 -1.0 2.0
   48    42    52    53   0.21250  1.0 3.0
   48    54    61    62   0.15000  1.0 3.0
   48    54    61    63   0.15000  1.0 3.0
   48    54    61    64   0.56750  1.0 1.0
   48    54    61    64  -0.07550 -1.0 2.0
   48    54    61    64   0.20000  1.0 3.0
   48    68   -40    33   0.56750  1.0 1.0
   48    68   -40    33  -0.07550 -1.0 2.0
   48    68   -40    33   0.20000  1.0 3.0
   48    68    40    41   0.15000  1.0 3.0
   48    68    40    43   0.86500  1.0 1.0
   48    68    40    43  -0.17500 -1.0 2.0
   48    68    40    43   0.20800  1.0 3.0
   54    48    68    67   0.56750  1.0 1.0
   54    48    68    67  -0.07550 -1.0 2.0
   54    48    68    67   0.20000  1.0 3.0
   54    48    68    69   0.15000  1.0 3.0
   54    48    68    40   0.56750  1.0 1.0
   54    48    68    40  -0.07550 -1.0 2.0
   54    48    68    40   0.20000  1.0 3.0
   54    48    57    58   0.15000  1.0 3.0
   54    48    57    59   0.15000  1.0 3.0
   54    48    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.15000  1.0 3.0
   54    61   -64    67   0.56750  1.0 1.0
   54    61   -64    67  -0.07550 -1.0 2.0
   54    61   -64    67   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    67    68   0.56750  1.0 1.0
   61    64    67    68  -0.07550 -1.0 2.0
   61    64    67    68   0.20000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   61    64    67    74   0.56750  1.0 1.0
   61    64    67    74  -0.07550 -1.0 2.0
   61    64    67    74   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67   -68    48   0.56750  1.0 1.0
   64    67   -68    48  -0.07550 -1.0 2.0
   64    67   -68    48   0.20000  1.0 3.0
   64    67    68    69   0.15000  1.0 3.0
   64    67    68    40   0.56750  1.0 1.0
   64    67    68    40  -0.07550 -1.0 2.0
   64    67    68    40   0.20000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   64    67    74    75   0.15000  1.0 3.0
   64    67    74    76   0.15000  1.0 3.0
   64    67    74    77   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    74   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   66    64    67    74   0.15000  1.0 3.0
   67    68    40    33   0.56750  1.0 1.0
   67    68    40    33  -0.07550 -1.0 2.0
   67    68    40    33   0.20000  1.0 3.0
   67    68    40    41   0.15000  1.0 3.0
   67    68    40    43   0.86500  1.0 1.0
   67    68    40    43  -0.17500 -1.0 2.0
   67    68    40    43   0.20800  1.0 3.0
   68    48    54    55   0.15000  1.0 3.0
   68    48    54    56   0.15000  1.0 3.0
   68    48   -54    61   0.56750  1.0 1.0
   68    48   -54    61  -0.07550 -1.0 2.0
   68    48   -54    61   0.20000  1.0 3.0
   68    48    57    58   0.15000  1.0 3.0
   68    48    57    59   0.15000  1.0 3.0
   68    48    57    60   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   68    40    43    44  -0.11600  1.0 1.0
   68    40    43    44  -0.09450 -1.0 2.0
   68    40    43    44   0.21250  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    41   0.15000  1.0 3.0
   69    68    40    43   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   70    67    68    48   0.56750  1.0 1.0
   70    67    68    48  -0.07550 -1.0 2.0
   70    67    68    48   0.20000  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    40   0.56750  1.0 1.0
   70    67    68    40  -0.07550 -1.0 2.0
   70    67    68    40   0.20000  1.0 3.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   74    67    68    48   0.56750  1.0 1.0
   74    67    68    48  -0.07550 -1.0 2.0
   74    67    68    48   0.20000  1.0 3.0
   74    67    68    69   0.15000  1.0 3.0
   74    67    68    40   0.56750  1.0 1.0
   74    67    68    40  -0.07550 -1.0 2.0
   74    67    68    40   0.20000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    61   0.56750  1.0 1.0
   57    48    54    61  -0.07550 -1.0 2.0
   57    48    54    61   0.20000  1.0 3.0
   57    48    68    67   0.56750  1.0 1.0
   57    48    68    67  -0.07550 -1.0 2.0
   57    48    68    67   0.20000  1.0 3.0
   57    48    68    69   0.15000  1.0 3.0
   57    48    68    40   0.56750  1.0 1.0
   57    48    68    40  -0.07550 -1.0 2.0
   57    48    68    40   0.20000  1.0 3.0
   49    42    48    54  -0.95700  1.0 1.0
   49    42    48    54  -0.18200 -1.0 2.0
   49    42    48    54   0.29450  1.0 3.0
   49    42    48    68  -0.95700  1.0 1.0
   49    42    48    68  -0.18200 -1.0 2.0
   49    42    48    68   0.29450  1.0 3.0
   49    42    48    57  -0.95700  1.0 1.0
   49    42    48    57  -0.18200 -1.0 2.0
   49    42    48    57   0.29450  1.0 3.0
   49    42    52    53   0.91850  1.0 1.0
   49    42    52    53   0.57950  1.0 3.0
   52    42    48    54   0.86500  1.0 1.0
   52    42    48    54  -0.17500 -1.0 2.0
   52    42    48    54   0.20800  1.0 3.0
   52    42    48    68   0.86500  1.0 1.0
   52    42    48    68  -0.17500 -1.0 2.0
   52    42    48    68   0.20800  1.0 3.0
   52    42    48    57   0.86500  1.0 1.0
   52    42    48    57  -0.17500 -1.0 2.0
   52    42    48    57   0.20800  1.0 3.0
   52    42    49    50   0.30150 -1.0 2.0
   52    42    49    51   0.00000  1.0 1.0
   45    38    42    48  -0.95700  1.0 1.0
   45    38    42    48  -0.18200 -1.0 2.0
   45    38    42    48   0.29450  1.0 3.0
   45    38    42    49   0.11950  1.0 1.0
   45    38    42    49   0.20300 -1.0 2.0
   45    38    42    49  -0.70800  1.0 3.0
   45    38    42    52  -0.09450  1.0 1.0
   45    38    42    52  -1.12950 -1.0 2.0
   45    38    42    52   0.54000  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
   36    30    35    37  10.50000 -1.0 2.0
   42    51    49    50  10.50000 -1.0 2.0
   38    47    45    46  10.50000 -1.0 2.0
END
