* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    148    245     438
    1     0 S   NP   _N1_     1    28.79430    93.94571   -22.03833
    2     1 S   H    _HN1     2     1.02833    25.75870   143.39599
    3     1 S   H    _H1_     3     1.02779    93.42661   -90.83591
    4     1 S   H    _H2_     4     1.02958    92.55919    17.67973
    5     1 S   CT   _CA1     5     1.50122   136.51201   141.32013
    6     5 S   HC   _HA1     6     1.09574   105.24836    60.18736
    7     5 S   CO3  _C1_     7     1.53803   112.31556   -60.05539
    8     7 S   O2Z  _O11     8     1.26366   115.02149   -45.54357
    9     7 S   O2Z  _O12     9     1.26237   114.91080   133.59125
   10     5 S   CT   _CB1    10     1.53079   107.40853   178.08164
   11    10 S   HC   HB11    11     1.09826   109.37822   -50.70027
   12    10 S   HC   HB12    12     1.09824   110.39640    65.84281
   13    10 S   CT   _CG1    13     1.53014   112.67945  -171.80116
   14    13 S   HC   HG11    14     1.09598   110.41884   -62.48358
   15    13 S   HC   HG12    15     1.09641   110.05194    56.77037
   16    13 S   C    _CD1    16     1.51801   112.21041   177.12043
   17    16 S   O    _OE1    17     1.22728   123.21945    -4.23221
   18    16 S   N    _N2_    18     1.38643   111.68732   175.96969
   19    18 S   H    _HN2    19     1.01577   119.09353     1.70111
   20    18 S   CT1  _CA2    20     1.46201   123.28187  -178.44581
   21    20 S   HC   _HA2    21     1.09739   109.35562    -6.73901
   22    20 S   C    _C2_    22     1.53457   108.62356  -122.45712
   23    22 S   O    _O2_    23     1.23036   122.12220  -146.68742
   24    20 S   CT   _CB2    32     1.53662   111.61536   115.07889
   25    24 S   HC   HB21    33     1.09519   109.24980    57.61183
   26    24 S   HC   HB22    34     1.09366   109.58780   176.49921
   27    22 S   N    _N3_    24     1.38471   113.50323    40.67107
   28    27 S   H    _HN3    25     1.01520   118.91788    -0.86366
   29    24 S   S    _SG2    35     1.82884   111.20799   -62.55275
   30    27 S   CT   _CA3    26     1.45457   123.58788   175.30335
   31    30 S   HC   HA31    27     1.09511   109.45989    20.37417
   32    30 S   HC   HA32    28     1.09503   107.08142   137.38120
   33    29 S   CT   _C11    36     1.88437   103.94720  -169.45066
   34    30 S   CO3  _C3_    29     1.52894   112.89806  -103.25930
   35    34 S   O2Z  _O31    30     1.26417   115.29363   -47.94521
   36    34 S   O2Z  _O32    31     1.26339   115.05784   132.93579
   37    33 S   C3T  _C12    37     1.52299   103.61844    76.12575
   38    37 S   HC   _H5_    38     1.07760   118.90941   -39.50217
   39    33 S   CT   _C17    72     1.54827   109.54994   -40.35481
   40    39 S   HC   _H14    73     1.09466   111.60645   175.00864
   41    39 S   HC   _H15    74     1.09481   112.05291    58.70166
   42    37 S   C3T  _C13    39     1.48114   111.20562   108.76636
   43    42 S   HC   _H6_    40     1.07760   122.02560  -145.81498
   44    39 S   OH   _O37    75     1.41960   111.76832   -63.55813
   45    44 S   HO   _H16    76     0.97214   107.25160  -179.27638
   46    42 S   CT   _C14    41     1.50645   111.69160     1.19173
   47    37 S   O3T  _O36    71     1.43522   115.67905   173.44219
   48    46 S   CT   _C15    42     1.55105   111.82975  -115.94869
   49    48 S   HC   _H7_    43     1.09471   110.24312   -63.40537
   50    33 S   CT   _C10    51     1.64915   114.60061  -171.54390
   51    46 S   OH   _O35    69     1.43359   106.54405   127.77400
   52    51 S   HO   _H13    70     0.97230   108.34950    61.76731
   53    48 S   CO4  _C16    44     1.50665   110.33946    59.66566
   54    53 S   O    _O33    45     1.21981   126.35472   -88.95964
   55    50 S   CT   _C18    52     1.56631   109.27594   148.05297
   56    55 S   HC   _H17    53     1.09426   112.39118    55.69283
   57    55 S   HC   _H18    54     1.09453   111.61655   -66.51005
   58    55 S   HC   _H19    55     1.09705   111.38718   175.24198
   59    53 S   OS   _O34    46     1.37142   108.24675    89.88611
   60    59 S   CT   _C8_    47     1.43602   108.21220     0.28736
   61    60 S   HC   _H3_    48     1.09415   107.84934   150.16441
   62    60 S   CT   _C9_    49     1.54879   111.37301   -89.84944
   63    62 S   HC   _H4_    50     1.09757   104.73268   179.60238
   64    48 S   CT   _C7_    58     1.54170   113.62243   170.68728
   65    62 S   OH   _O38    56     1.42334   111.07924   -69.29889
   66    65 S   HO   _H20    57     0.97198   108.36614   -48.20753
   67    64 S   CM   _C5_    59     1.54002   116.96091   167.61254
   68    64 S   OH   _O39    67     1.42223   110.99932    44.22927
   69    68 S   HO   _H21    68     0.97195   108.69211  -158.91979
   70    67 S   CM   _C6_    60     1.34531   124.98779    -3.49642
   71    70 S   HC   _H11    61     1.08616   121.12134  -179.45607
   72    70 S   HC   _H12    62     1.08286   123.28026     0.52971
   73    67 S   CT   _C4_    63     1.51207   116.78027   177.66686
   74    73 S   HC   _H8_    64     1.09330   111.12568   -59.63585
   75    73 S   HC   _H9_    65     1.09428   110.76166    61.32978
   76    73 S   HC   _H10    66     1.09585   112.15204  -179.23767
  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
  22   2   1   1  14   6  10   4   3  12   5   2   1  20   3  17
   9  15   5   1   8   3   7   3   2   1   8  11   6   6   3  11
   1   1   9   3   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    62    50    55    47    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    48    60    62    63    50    55    56    57    58    65    51    47    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    48    62    50    55    51    47    39    40    41    44  
   42    43    46    50    47    39  
   40    41    44    45    42    46    47    50    55    62  
   41    44    45    50  
   44    45    50  
   43    46    48    49    53    62    50    55    64    51    52    47  
   46    48    50    51    47  
   45    50  
    0  
   48    49    53    54    59    60    62    63    50    55    56    57    58    65    64    67    68    51    52    47  
   48    50    51  
   49    53    54    59    60    61    62    50    55    64    67    70    73    68    69    51    52  
   53    54    59    60    50    64    67    68    51  
   55    56    57    58    65    66    64    51    52    53    59    60    61    62    63  
   52    53    55    62    64  
    0  
   54    59    60    61    62    64    67    68  
   59    60    64  
   56    57    58    65    60    62    63  
   57    58    62  
   58    62  
   62  
   60    61    62    63    65    64    67    68  
   61    62    63    65    66    64    67    70    73    68    69  
   62    63    65    64    67    68  
   63    65    66    64    67    68  
   65    66    64  
   67    70    71    72    73    74    75    76    68    69    65  
   66  
    0  
   70    71    72    73    74    75    76    68    69  
   69    70    73  
    0  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   275.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.088
   37    42   260.000  1.509
   37    47   335.000  1.432
   42    43   340.000  1.088
   42    46   275.000  1.510
   42    47   335.000  1.432
   46    48   268.000  1.529
   46    50   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    53   317.000  1.522
   48    64   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    50   268.000  1.529
   62    65   320.000  1.410
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   65    66   553.000  0.945
   64    67   317.000  1.510
   64    68   320.000  1.410
   67    70   549.000  1.340
   67    73   317.000  1.510
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   68    69   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  115.04500
   33    37    42    60.00000  120.94000
   33    37    47    80.00000  116.47100
   33    50    46    58.35000  112.70000
   33    50    62    58.35000  112.70000
   33    50    55    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  117.20000
   37    42    46    60.00000  120.94000
   37    42    47    15.00000   60.43100
   37    47    42    15.00000   59.14900
   42    37    38    37.50000  117.20000
   42    46    48    70.00000  112.37300
   42    46    50    70.00000  112.37300
   42    46    51    50.00000  109.50000
   46    42    43    40.00000  115.04500
   46    48    49    37.50000  110.70000
   46    48    53    63.00000  111.10000
   46    48    64    58.35000  112.70000
   46    50    62    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    51    52    55.00000  108.50000
   48    53    54    80.00000  120.40000
   48    53    59    81.00000  111.40000
   48    64    60    58.35000  112.70000
   48    64    67    70.00000  112.02700
   48    64    68    50.00000  109.50000
   53    48    49    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    64    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    50    58.35000  112.70000
   60    62    65    50.00000  109.50000
   60    64    67    70.00000  112.02700
   60    64    68    50.00000  109.50000
   62    60    61    37.50000  110.70000
   62    50    55    58.35000  112.70000
   62    65    66    55.00000  108.50000
   50    33    37    70.00000  112.37300
   50    46    48    58.35000  112.70000
   50    62    63    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    50    50.00000  109.50000
   64    48    49    37.50000  110.70000
   64    48    53    63.00000  111.10000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    67    70    70.00000  124.00000
   64    67    73    65.00000  117.92700
   64    68    69    55.00000  108.50000
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   72    70    71    35.00000  117.00000
   73    67    70    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   68    64    67    90.00000  110.39200
   51    46    48    50.00000  109.50000
   51    46    50    50.00000  109.50000
   47    37    38    50.00000  114.27700
   47    37    42    15.00000   60.43100
   47    42    43    50.00000  114.27700
   47    42    46    80.00000  116.47100
   39    33    37    70.00000  112.37300
   39    33    50    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    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    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    62   0.44750  1.0 1.0
   29    33    50    62  -0.17800 -1.0 2.0
   29    33    50    62   0.20200  1.0 3.0
   29    33    50    55   0.44750  1.0 1.0
   29    33    50    55  -0.17800 -1.0 2.0
   29    33    50    55   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37   -42    46   0.56750  1.0 1.0
   33    37   -42    46  -0.07550 -1.0 2.0
   33    37   -42    46   0.20000  1.0 3.0
   33    37   -42    47   0.02550  1.0 1.0
   33    37   -42    47  -0.02600 -1.0 2.0
   33    37   -42    47   1.20400  1.0 3.0
   33    37   -47    42   0.06250  1.0 1.0
   33    37   -47    42  -0.01100 -1.0 2.0
   33    37   -47    42   0.28050  1.0 3.0
   33    50    55    56   0.15000  1.0 3.0
   33    50    55    57   0.15000  1.0 3.0
   33    50    55    58   0.15000  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -50    46   0.47050  1.0 1.0
   37    33   -50    46   0.03900 -1.0 2.0
   37    33   -50    46   0.20100  1.0 3.0
   37    33    50    62   0.47050  1.0 1.0
   37    33    50    62   0.03900 -1.0 2.0
   37    33    50    62   0.20100  1.0 3.0
   37    33    50    55   0.47050  1.0 1.0
   37    33    50    55   0.03900 -1.0 2.0
   37    33    50    55   0.20100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    48   0.07850  1.0 1.0
   37    42    46    48  -0.03950 -1.0 2.0
   37    42    46    48   0.67350  1.0 3.0
   37    42   -46    50   0.07850  1.0 1.0
   37    42   -46    50  -0.03950 -1.0 2.0
   37    42   -46    50   0.67350  1.0 3.0
   37    42    46    51   0.86500  1.0 1.0
   37    42    46    51  -0.17500 -1.0 2.0
   37    42    46    51   0.20800  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37   -42    47   0.23400  1.0 3.0
   38    37   -47    42   0.36800  1.0 3.0
   42    46    48    49   0.15000  1.0 3.0
   42    46    48    53  -0.95700  1.0 1.0
   42    46    48    53  -0.18200 -1.0 2.0
   42    46    48    53   0.29450  1.0 3.0
   42    46    48    64   0.47050  1.0 1.0
   42    46    48    64   0.03900 -1.0 2.0
   42    46    48    64   0.20100  1.0 3.0
   42    46   -50    33   0.47050  1.0 1.0
   42    46   -50    33   0.03900 -1.0 2.0
   42    46   -50    33   0.20100  1.0 3.0
   42    46    50    62   0.47050  1.0 1.0
   42    46    50    62   0.03900 -1.0 2.0
   42    46    50    62   0.20100  1.0 3.0
   42    46    50    55   0.47050  1.0 1.0
   42    46    50    55   0.03900 -1.0 2.0
   42    46    50    55   0.20100  1.0 3.0
   42    46    51    52  -0.11600  1.0 1.0
   42    46    51    52  -0.09450 -1.0 2.0
   42    46    51    52   0.21250  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    51   0.23400  1.0 3.0
   43    42   -47    37   0.36800  1.0 3.0
   46    42   -47    37   0.06250  1.0 1.0
   46    42   -47    37  -0.01100 -1.0 2.0
   46    42   -47    37   0.28050  1.0 3.0
   46    48    53    54   0.30150 -1.0 2.0
   46    48    53    59   0.36750  1.0 3.0
   46    48    64    60   0.56750  1.0 1.0
   46    48    64    60  -0.07550 -1.0 2.0
   46    48    64    60   0.20000  1.0 3.0
   46    48    64    67   0.34400  1.0 1.0
   46    48    64    67   0.09450 -1.0 2.0
   46    48    64    67   0.11100  1.0 3.0
   46    48    64    68   0.86500  1.0 1.0
   46    48    64    68  -0.17500 -1.0 2.0
   46    48    64    68   0.20800  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   48    46    50    33   0.56750  1.0 1.0
   48    46    50    33  -0.07550 -1.0 2.0
   48    46    50    33   0.20000  1.0 3.0
   48    46    50    62   0.56750  1.0 1.0
   48    46    50    62  -0.07550 -1.0 2.0
   48    46    50    62   0.20000  1.0 3.0
   48    46    50    55   0.56750  1.0 1.0
   48    46    50    55  -0.07550 -1.0 2.0
   48    46    50    55   0.20000  1.0 3.0
   48    46    51    52  -0.11600  1.0 1.0
   48    46    51    52  -0.09450 -1.0 2.0
   48    46    51    52   0.21250  1.0 3.0
   48    53   -59    60   1.63150  1.0 1.0
   48    53   -59    60   2.92000 -1.0 2.0
   48    64    67    70   0.09850  1.0 1.0
   48    64    67    70   0.15250 -1.0 2.0
   48    64    67    70  -0.50650  1.0 3.0
   48    64    67    73   0.46850  1.0 1.0
   48    64    67    73   0.08550 -1.0 2.0
   48    64    67    73   0.09800  1.0 3.0
   48    64    68    69  -0.11600  1.0 1.0
   48    64    68    69  -0.09450 -1.0 2.0
   48    64    68    69   0.21250  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    59   0.00000  1.0 1.0
   49    48    64    60   0.15000  1.0 3.0
   49    48    64    67   0.15000  1.0 3.0
   49    48    64    68   0.23400  1.0 3.0
   53    48   -64    60  -0.95700  1.0 1.0
   53    48   -64    60  -0.18200 -1.0 2.0
   53    48   -64    60   0.29450  1.0 3.0
   53    48    64    67  -0.98800  1.0 1.0
   53    48    64    67   0.48800 -1.0 2.0
   53    48    64    67   0.76800  1.0 3.0
   53    48    64    68  -0.09450  1.0 1.0
   53    48    64    68  -1.12950 -1.0 2.0
   53    48    64    68   0.54000  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   53    59   -60    64  -0.25900  1.0 1.0
   53    59   -60    64  -0.47000 -1.0 2.0
   53    59   -60    64   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    50   0.62750  1.0 1.0
   59    60    62    50  -0.30950 -1.0 2.0
   59    60    62    50   0.27300  1.0 3.0
   59    60    62    65   3.69350  1.0 1.0
   59    60    62    65  -1.82950 -1.0 2.0
   59    60   -64    48   0.62750  1.0 1.0
   59    60   -64    48  -0.30950 -1.0 2.0
   59    60   -64    48   0.27300  1.0 3.0
   59    60    64    67   0.61850  1.0 1.0
   59    60    64    67  -0.22750 -1.0 2.0
   59    60    64    67   0.15300  1.0 3.0
   59    60    64    68   3.69350  1.0 1.0
   59    60    64    68  -1.82950 -1.0 2.0
   60    62    50    33   0.56750  1.0 1.0
   60    62    50    33  -0.07550 -1.0 2.0
   60    62    50    33   0.20000  1.0 3.0
   60    62   -50    46   0.56750  1.0 1.0
   60    62   -50    46  -0.07550 -1.0 2.0
   60    62   -50    46   0.20000  1.0 3.0
   60    62    50    55   0.56750  1.0 1.0
   60    62    50    55  -0.07550 -1.0 2.0
   60    62    50    55   0.20000  1.0 3.0
   60    62    65    66  -0.11600  1.0 1.0
   60    62    65    66  -0.09450 -1.0 2.0
   60    62    65    66   0.21250  1.0 3.0
   60    64    67    70   0.09850  1.0 1.0
   60    64    67    70   0.15250 -1.0 2.0
   60    64    67    70  -0.50650  1.0 3.0
   60    64    67    73   0.46850  1.0 1.0
   60    64    67    73   0.08550 -1.0 2.0
   60    64    67    73   0.09800  1.0 3.0
   60    64    68    69  -0.11600  1.0 1.0
   60    64    68    69  -0.09450 -1.0 2.0
   60    64    68    69   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    50   0.15000  1.0 3.0
   61    60    62    65   0.23400  1.0 3.0
   61    60    64    48   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    64    68   0.23400  1.0 3.0
   62    60   -64    48   0.56750  1.0 1.0
   62    60   -64    48  -0.07550 -1.0 2.0
   62    60   -64    48   0.20000  1.0 3.0
   62    60    64    67   0.34400  1.0 1.0
   62    60    64    67   0.09450 -1.0 2.0
   62    60    64    67   0.11100  1.0 3.0
   62    60    64    68   0.86500  1.0 1.0
   62    60    64    68  -0.17500 -1.0 2.0
   62    60    64    68   0.20800  1.0 3.0
   62    50    55    56   0.15000  1.0 3.0
   62    50    55    57   0.15000  1.0 3.0
   62    50    55    58   0.15000  1.0 3.0
   63    62    50    33   0.15000  1.0 3.0
   63    62    50    46   0.15000  1.0 3.0
   63    62    50    55   0.15000  1.0 3.0
   63    62    65    66   0.19450  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33   -37    42   0.07850  1.0 1.0
   50    33   -37    42  -0.03950 -1.0 2.0
   50    33   -37    42   0.67350  1.0 3.0
   50    33    37    47   0.02550  1.0 1.0
   50    33    37    47  -0.02600 -1.0 2.0
   50    33    37    47   1.20400  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    44   0.86500  1.0 1.0
   50    33    39    44  -0.17500 -1.0 2.0
   50    33    39    44   0.20800  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    53  -0.95700  1.0 1.0
   50    46    48    53  -0.18200 -1.0 2.0
   50    46    48    53   0.29450  1.0 3.0
   50    46    48    64   0.56750  1.0 1.0
   50    46    48    64  -0.07550 -1.0 2.0
   50    46    48    64   0.20000  1.0 3.0
   50    46    51    52  -0.11600  1.0 1.0
   50    46    51    52  -0.09450 -1.0 2.0
   50    46    51    52   0.21250  1.0 3.0
   50    62    65    66  -0.11600  1.0 1.0
   50    62    65    66  -0.09450 -1.0 2.0
   50    62    65    66   0.21250  1.0 3.0
   65    62    50    33   0.86500  1.0 1.0
   65    62    50    33  -0.17500 -1.0 2.0
   65    62    50    33   0.20800  1.0 3.0
   65    62    50    46   0.86500  1.0 1.0
   65    62    50    46  -0.17500 -1.0 2.0
   65    62    50    46   0.20800  1.0 3.0
   65    62    50    55   0.86500  1.0 1.0
   65    62    50    55  -0.17500 -1.0 2.0
   65    62    50    55   0.20800  1.0 3.0
   64    48    53    54   0.30150 -1.0 2.0
   64    48   -53    59   0.36750  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60   -62    50   0.56750  1.0 1.0
   64    60   -62    50  -0.07550 -1.0 2.0
   64    60   -62    50   0.20000  1.0 3.0
   64    60    62    65   0.86500  1.0 1.0
   64    60    62    65  -0.17500 -1.0 2.0
   64    60    62    65   0.20800  1.0 3.0
   64    67    70    71   7.00000 -1.0 2.0
   64    67    70    72   7.00000 -1.0 2.0
   64    67    73    74   0.34800  1.0 3.0
   64    67    73    75   0.34800  1.0 3.0
   64    67    73    76   0.34800  1.0 3.0
   67    64    68    69  -0.07800  1.0 1.0
   67    64    68    69  -0.21500 -1.0 2.0
   67    64    68    69  -0.03150  1.0 3.0
   70    67    73    74   0.00000  1.0 1.0
   70    67    73    75   0.00000  1.0 1.0
   70    67    73    76   0.00000  1.0 1.0
   73    67    70    71   7.00000 -1.0 2.0
   73    67    70    72   7.00000 -1.0 2.0
   68    64    67    70   0.67800  1.0 1.0
   68    64    67    70   0.47050 -1.0 2.0
   68    64    67    70  -0.62500  1.0 3.0
   68    64    67    73   0.18000  1.0 1.0
   68    64    67    73   0.16450 -1.0 2.0
   68    64    67    73   0.04450  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    53  -0.09450  1.0 1.0
   51    46    48    53  -1.12950 -1.0 2.0
   51    46    48    53   0.54000  1.0 3.0
   51    46    48    64   0.86500  1.0 1.0
   51    46    48    64  -0.17500 -1.0 2.0
   51    46    48    64   0.20800  1.0 3.0
   51    46    50    33   0.86500  1.0 1.0
   51    46    50    33  -0.17500 -1.0 2.0
   51    46    50    33   0.20800  1.0 3.0
   51    46    50    62   0.86500  1.0 1.0
   51    46    50    62  -0.17500 -1.0 2.0
   51    46    50    62   0.20800  1.0 3.0
   51    46    50    55   0.86500  1.0 1.0
   51    46    50    55  -0.17500 -1.0 2.0
   51    46    50    55   0.20800  1.0 3.0
   47    37   -42    43   0.23400  1.0 3.0
   47    37   -42    46   0.02550  1.0 1.0
   47    37   -42    46  -0.02600 -1.0 2.0
   47    37   -42    46   1.20400  1.0 3.0
   47    42    46    48   0.02550  1.0 1.0
   47    42    46    48  -0.02600 -1.0 2.0
   47    42    46    48   1.20400  1.0 3.0
   47    42   -46    50   0.02550  1.0 1.0
   47    42   -46    50  -0.02600 -1.0 2.0
   47    42   -46    50   1.20400  1.0 3.0
   47    42    46    51   3.69350  1.0 1.0
   47    42    46    51  -1.82950 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.07850  1.0 1.0
   39    33    37    42  -0.03950 -1.0 2.0
   39    33    37    42   0.67350  1.0 3.0
   39    33    37    47   0.02550  1.0 1.0
   39    33    37    47  -0.02600 -1.0 2.0
   39    33    37    47   1.20400  1.0 3.0
   39    33    50    46   0.56750  1.0 1.0
   39    33    50    46  -0.07550 -1.0 2.0
   39    33    50    46   0.20000  1.0 3.0
   39    33    50    62   0.56750  1.0 1.0
   39    33    50    62  -0.07550 -1.0 2.0
   39    33    50    62   0.20000  1.0 3.0
   39    33    50    55   0.56750  1.0 1.0
   39    33    50    55  -0.07550 -1.0 2.0
   39    33    50    55   0.20000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   48    59    53    54  10.50000 -1.0 2.0
   64    73    67    70  15.00000 -1.0 2.0
   71    72    70    67  15.00000 -1.0 2.0
END
