* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    147    222     432
    1     0 S   NP   _N1_     1    28.73861    96.25451   -23.50914
    2     1 S   H    _HN1     2     1.02792   107.83446  -101.04213
    3     1 S   H    _H1_     3     1.02947    74.61485     3.73004
    4     1 S   H    _H2_     4     1.02827    34.58101   163.11432
    5     1 S   CT   _CA1     5     1.50124   134.86258   107.41514
    6     5 S   HC   _HA1     6     1.09574   105.16255    89.32869
    7     5 S   CO3  _C1_     7     1.53770   112.48425   -30.86574
    8     7 S   O2Z  _O11     8     1.26374   115.00386   -42.06646
    9     7 S   O2Z  _O12     9     1.26239   114.94347   136.97276
   10     5 S   CT   _CB1    10     1.53063   107.41001  -152.70622
   11    10 S   HC   HB11    11     1.09839   109.31816   -49.51046
   12    10 S   HC   HB12    12     1.09811   110.47586    67.08529
   13    10 S   CT   _CG1    13     1.53012   112.63705  -170.46125
   14    13 S   HC   HG11    14     1.09572   110.70240   -67.28863
   15    13 S   HC   HG12    15     1.09672   109.71470    51.95450
   16    13 S   C    _CD1    16     1.51810   112.06452   172.41129
   17    16 S   O    _OE1    17     1.22748   123.19817    11.00591
   18    16 S   N    _N2_    18     1.38647   111.77624  -168.96561
   19    18 S   H    _HN2    19     1.01563   118.97827     1.15657
   20    18 S   CT1  _CA2    20     1.46225   123.39924   176.65163
   21    20 S   HC   _HA2    21     1.09745   109.32779     6.89836
   22    20 S   C    _C2_    22     1.53677   108.64142  -108.59185
   23    22 S   O    _O2_    23     1.23073   122.31936  -147.51545
   24    20 S   CT   _CB2    32     1.53420   111.74683   128.92365
   25    24 S   HC   HB21    33     1.09562   109.93276    56.55627
   26    24 S   HC   HB22    34     1.09275   109.52020   175.13103
   27    22 S   N    _N3_    24     1.38344   113.80205    39.78607
   28    27 S   H    _HN3    25     1.01545   119.59832    -2.70364
   29    24 S   S    _SG2    35     1.82891   111.30333   -63.66312
   30    27 S   CT   _CA3    26     1.45287   123.28681   177.38259
   31    30 S   HC   HA31    27     1.09545   107.44825   -66.69435
   32    30 S   HC   HA32    28     1.09556   108.07286    49.77506
   33    29 S   CT   _C11    36     1.86891   102.32196  -161.94512
   34    30 S   CO3  _C3_    29     1.52983   114.05344   171.85199
   35    34 S   O2Z  _O31    30     1.26384   116.09342     0.16432
   36    34 S   O2Z  _O32    31     1.26432   114.42128  -179.76015
   37    33 S   CT   _C10    37     1.57987   112.05250    67.12008
   38    37 S   HC   _H11    38     1.09962   108.24779   -81.85422
   39    37 S   HC   _H12    39     1.09684   106.93572   166.55693
   40    33 S   CT   _C12    62     1.62321   111.73742  -168.48753
   41    40 S   OM   _O33    63     1.32968   109.57586    72.61536
   42    40 S   HC   _H6_    64     1.09926   103.48788  -162.34298
   43    33 S   CT   _C15    76     1.56395   108.63994   -48.38724
   44    43 S   HC   _H17    77     1.09607   112.64295   -52.00299
   45    43 S   HC   _H18    78     1.09715   110.39336  -172.59027
   46    43 S   HC   _H19    79     1.09551   112.49898    68.92843
   47    37 S   CT   _C9_    40     1.54529   120.59054    40.65850
   48    47 S   HC   _H5_    41     1.09121   112.43640    25.95994
   49    47 S   CT   _C8_    42     1.54551   111.64683   153.02199
   50    49 S   HC   _H4_    43     1.09965   109.79221    26.82822
   51    49 S   CM   _C17    44     1.49650   100.71306   138.92710
   52    49 S   CT   _C7_    51     1.55709   115.38398   -97.54055
   53    52 S   HC   _H3_    52     1.09400   108.86136   -88.62411
   54    51 S   CO4  _C16    45     1.47417   109.46481   -17.43645
   55    54 S   O    _O35    46     1.21777   126.94650  -172.02831
   56    51 S   CM   _C18    48     1.33683   129.61278   162.07228
   57    56 S   HC   _H20    49     1.08439   121.30664     0.72172
   58    56 S   HC   _H21    50     1.08545   121.69805  -179.65850
   59    52 S   CM   _C6_    53     1.50444   110.93142    35.03142
   60    59 S   HC   _H10    54     1.08863   115.09927    64.74255
   61    52 S   OS   _O36    69     1.44714   107.67359   153.60178
   62    47 S   OS   _O34    47     1.44490   108.06871   -90.97217
   63    59 S   CM   _C5_    55     1.34649   125.39199  -103.04997
   64    61 S   CO4  _C19    70     1.36325   117.30285   153.87506
   65    64 S   O    _O37    71     1.22309   126.51298    -0.28939
   66    63 S   CT   _C14    56     1.51200   119.11420   157.92330
   67    66 S   HC   _H15    57     1.09643   111.67187    38.74485
   68    66 S   HC   _H16    58     1.09733   108.95577   155.00465
   69    63 S   CT   _C4_    65     1.50516   125.40853   -13.38282
   70    69 S   HC   _H7_    66     1.09425   110.68761   105.35661
   71    69 S   HC   _H8_    67     1.09192   113.38582   -16.47380
   72    69 S   HC   _H9_    68     1.09557   109.89807  -135.09920
   73    64 S   CT   _C20    72     1.49841   109.43728   179.85873
   74    73 S   HC   _H22    73     1.09291   109.83596   -60.64193
   75    73 S   HC   _H23    74     1.09379   109.36394  -179.66662
   76    73 S   HC   _H24    75     1.09290   109.81512    61.27366
   77    66 S   CT   _C13    59     1.55047   109.65976   -85.39546
   78    77 S   HC   _H13    60     1.10182   106.16837  -140.64433
   79    77 S   HC   _H14    61     1.09392   109.54509   -28.52456
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  18   2   1   1  18   7   6  14   6   5   5   2   1   1  12   6
  15   8  10  13   5   5   2   3   1   1  12   4   7   1  10   5
   4   9   5   4   4   2   1   1   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    77    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    62    66    77    78    79    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    54    62    52    77    40    41    42    43    44    45    46  
   39    47    48    49    62    40    43  
   47    48    49    62    40    43  
   41    42    43    44    45    46    47    63    66    67    68    77    78    79  
   42    43    66    77    78    79  
   43    66    77    78    79  
   44    45    46    47    77  
   45    46  
   46  
    0  
   48    49    50    51    54    55    62    56    52    53    59    61  
   49    50    51    54    62    52  
   50    51    54    55    62    56    57    58    52    53    59    60    63    61    64  
   51    54    62    56    52    53    59    61  
   54    55    62    56    57    58    52    53    59    61  
   53    59    60    63    66    69    61    64    65    73    54    56    62  
   59    60    63    61    64  
   55    62    56    57    58  
   62    56  
   57    58    62  
   58  
    0  
   60    63    66    67    68    77    69    70    71    72    61    64  
   63    66    69    61  
   64    65    73    74    75    76    63  
    0  
   66    67    68    77    78    79    69    70    71    72  
   65    73    74    75    76  
   73    74    75    76  
   67    68    77    78    79    69    70    71    72  
   68    77    78    79    69  
   77    78    79    69  
   70    71    72    77  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    62   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    52   268.000  1.529
   51    54   320.000  1.462
   51    56   549.000  1.340
   54    55   570.000  1.229
   54    62   214.000  1.327
   56    57   340.000  1.080
   56    58   340.000  1.080
   52    53   340.000  1.090
   52    59   317.000  1.510
   52    61   320.000  1.410
   59    60   340.000  1.080
   59    63   549.000  1.340
   63    66   317.000  1.510
   63    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    77    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    62    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    70.00000  112.02700
   47    49    52    58.35000  112.70000
   47    62    54    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    51    54    65.00000  116.34900
   49    51    56    70.00000  124.00000
   49    52    53    37.50000  110.70000
   49    52    59    70.00000  112.02700
   49    52    61    50.00000  109.50000
   51    49    50    35.00000  109.50000
   51    54    55    80.00000  123.72100
   51    54    62    90.00000  111.29400
   51    56    57    35.00000  120.00000
   51    56    58    35.00000  120.00000
   62    47    48    35.00000  109.50000
   62    47    49    50.00000  109.50000
   62    54    55    83.00000  123.40000
   56    51    54    65.00000  118.96000
   58    56    57    35.00000  117.00000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.02700
   52    59    60    35.00000  117.00000
   52    59    63    70.00000  124.00000
   52    61    64    83.00000  116.90000
   59    52    53    35.00000  109.50000
   59    63    66    70.00000  124.00000
   59    63    69    70.00000  124.00000
   63    59    60    35.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    77    70.00000  112.02700
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    35.00000  109.50000
   66    77    78    37.50000  110.70000
   66    77    79    37.50000  110.70000
   66    77    40    58.35000  112.70000
   68    66    67    33.00000  107.80000
   77    66    67    37.50000  110.70000
   77    66    68    37.50000  110.70000
   77    40    41    50.00000  109.50000
   77    40    42    37.50000  110.70000
   79    77    78    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    77    78    37.50000  110.70000
   40    77    79    37.50000  110.70000
   42    40    41    45.00000  125.66300
   69    63    66    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    59    85.00000  110.90400
   61    64    65    83.00000  123.40000
   61    64    73    81.00000  111.40000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    76    35.00000  109.50000
   73    64    65    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    77   0.44750  1.0 1.0
   29    33    40    77  -0.17800 -1.0 2.0
   29    33    40    77   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    62   0.62750  1.0 1.0
   33    37    47    62  -0.30950 -1.0 2.0
   33    37    47    62   0.27300  1.0 3.0
   37    33    40    77   0.56750  1.0 1.0
   37    33    40    77  -0.07550 -1.0 2.0
   37    33    40    77   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.15000  1.0 3.0
   37    47    49    51   0.34400  1.0 1.0
   37    47    49    51   0.09450 -1.0 2.0
   37    47    49    51   0.11100  1.0 3.0
   37    47    49    52   0.56750  1.0 1.0
   37    47    49    52  -0.07550 -1.0 2.0
   37    47    49    52   0.20000  1.0 3.0
   37    47    62    54  -0.25900  1.0 1.0
   37    47    62    54  -0.47000 -1.0 2.0
   37    47    62    54   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    62   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    62   0.23400  1.0 3.0
   47    49   -51    54   0.09700  1.0 1.0
   47    49   -51    54   0.15600 -1.0 2.0
   47    49   -51    54  -0.50800  1.0 3.0
   47    49    51    56   0.09850  1.0 1.0
   47    49    51    56   0.15250 -1.0 2.0
   47    49    51    56  -0.50650  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    59   0.34400  1.0 1.0
   47    49    52    59   0.09450 -1.0 2.0
   47    49    52    59   0.11100  1.0 3.0
   47    49    52    61   0.62750  1.0 1.0
   47    49    52    61  -0.30950 -1.0 2.0
   47    49    52    61   0.27300  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    62    54   0.08050  1.0 3.0
   49    47   -62    54  -0.25900  1.0 1.0
   49    47   -62    54  -0.47000 -1.0 2.0
   49    47   -62    54   0.11750  1.0 3.0
   49    51    54    55  -0.64400  1.0 1.0
   49    51    54    55   0.26850 -1.0 2.0
   49    51   -54    62  -0.15000  1.0 1.0
   49    51   -54    62   0.89550 -1.0 2.0
   49    51   -54    62  -0.06900  1.0 3.0
   49    51    56    57   7.00000 -1.0 2.0
   49    51    56    58   7.00000 -1.0 2.0
   49    52    59    60   0.00000  1.0 1.0
   49    52    59    63   0.09850  1.0 1.0
   49    52    59    63   0.15250 -1.0 2.0
   49    52    59    63  -0.50650  1.0 3.0
   49    52    61    64  -0.25900  1.0 1.0
   49    52    61    64  -0.47000 -1.0 2.0
   49    52    61    64   0.11750  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    59   0.15000  1.0 3.0
   50    49    52    61   0.23400  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    59   0.31000  1.0 1.0
   51    49    52    59   0.14700 -1.0 2.0
   51    49    52    59   0.07550  1.0 3.0
   51    49    52    61   0.61850  1.0 1.0
   51    49    52    61  -0.22750 -1.0 2.0
   51    49    52    61   0.15300  1.0 3.0
   51    54   -62    47   2.00000 -1.0 2.0
   54    51    56    57   7.00000 -1.0 2.0
   54    51    56    58   7.00000 -1.0 2.0
   55    54    62    47   3.00000 -1.0 2.0
   62    47    49    50   0.23400  1.0 3.0
   62    47   -49    51   0.61850  1.0 1.0
   62    47   -49    51  -0.22750 -1.0 2.0
   62    47   -49    51   0.15300  1.0 3.0
   62    47    49    52   0.62750  1.0 1.0
   62    47    49    52  -0.30950 -1.0 2.0
   62    47    49    52   0.27300  1.0 3.0
   56    51    54    55   1.00000 -1.0 2.0
   56    51    54    62  -0.56150  1.0 1.0
   56    51    54    62   2.19150 -1.0 2.0
   52    49    51    54   0.09700  1.0 1.0
   52    49    51    54   0.15600 -1.0 2.0
   52    49    51    54  -0.50800  1.0 3.0
   52    49    51    56   0.09850  1.0 1.0
   52    49    51    56   0.15250 -1.0 2.0
   52    49    51    56  -0.50650  1.0 3.0
   52    59    63    66   7.00000 -1.0 2.0
   52    59    63    69   7.00000 -1.0 2.0
   52    61    64    65   3.00000 -1.0 2.0
   52    61    64    73   1.63150  1.0 1.0
   52    61    64    73   2.92000 -1.0 2.0
   53    52    59    60   0.33100  1.0 3.0
   53    52    59    63   0.00000  1.0 1.0
   53    52    61    64   0.08050  1.0 3.0
   59    52    61    64  -0.82050  1.0 1.0
   59    52    61    64   0.00600 -1.0 2.0
   59    52    61    64   0.04400  1.0 3.0
   59    63    66    67   0.00000  1.0 1.0
   59    63    66    68   0.00000  1.0 1.0
   59    63    66    77   0.09850  1.0 1.0
   59    63    66    77   0.15250 -1.0 2.0
   59    63    66    77  -0.50650  1.0 3.0
   59    63    69    70   0.00000  1.0 1.0
   59    63    69    71   0.00000  1.0 1.0
   59    63    69    72   0.00000  1.0 1.0
   60    59    63    66   7.00000 -1.0 2.0
   60    59    63    69   7.00000 -1.0 2.0
   63    66    77    78   0.15000  1.0 3.0
   63    66    77    79   0.15000  1.0 3.0
   63    66    77    40   0.34400  1.0 1.0
   63    66    77    40   0.09450 -1.0 2.0
   63    66    77    40   0.11100  1.0 3.0
   66    63    69    70   0.34800  1.0 3.0
   66    63    69    71   0.34800  1.0 3.0
   66    63    69    72   0.34800  1.0 3.0
   66    77    40    33   0.56750  1.0 1.0
   66    77    40    33  -0.07550 -1.0 2.0
   66    77    40    33   0.20000  1.0 3.0
   66    77    40    41   0.62750  1.0 1.0
   66    77    40    41  -0.30950 -1.0 2.0
   66    77    40    41   0.27300  1.0 3.0
   66    77    40    42   0.15000  1.0 3.0
   67    66    77    78   0.15000  1.0 3.0
   67    66    77    79   0.15000  1.0 3.0
   67    66    77    40   0.15000  1.0 3.0
   68    66    77    78   0.15000  1.0 3.0
   68    66    77    79   0.15000  1.0 3.0
   68    66    77    40   0.15000  1.0 3.0
   78    77    40    33   0.15000  1.0 3.0
   78    77    40    41   0.23400  1.0 3.0
   78    77    40    42   0.15000  1.0 3.0
   79    77    40    33   0.15000  1.0 3.0
   79    77    40    41   0.23400  1.0 3.0
   79    77    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   69    63    66    67   0.34800  1.0 3.0
   69    63    66    68   0.34800  1.0 3.0
   69    63    66    77   0.46850  1.0 1.0
   69    63    66    77   0.08550 -1.0 2.0
   69    63    66    77   0.09800  1.0 3.0
   61    52    59    60   0.00000  1.0 1.0
   61    52    59    63   0.39000  1.0 1.0
   61    52    59    63  -0.05800 -1.0 2.0
   61    52    59    63  -0.55150  1.0 3.0
   61    64    73    74   0.00000  1.0 1.0
   61    64    73    75   0.00000  1.0 1.0
   61    64    73    76   0.00000  1.0 1.0
   65    64    73    74   0.00000  1.0 1.0
   65    64    73    75   0.00000  1.0 1.0
   65    64    73    76   0.00000  1.0 1.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    77   0.56750  1.0 1.0
   43    33    40    77  -0.07550 -1.0 2.0
   43    33    40    77   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   49    54    51    56   1.10000 -1.0 2.0
   51    62    54    55  10.50000 -1.0 2.0
   57    58    56    51   1.10000 -1.0 2.0
   52    60    59    63   1.10000 -1.0 2.0
   66    69    63    59   1.10000 -1.0 2.0
   61    73    64    65  10.50000 -1.0 2.0
END
