* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    30.78878    89.08109   -21.89400
    2     1 S   H    _HN1     2     1.03641   120.57947   -46.76020
    3     1 S   H    _H1_     3     1.03076   113.51292    83.36853
    4     1 S   H    _H2_     4     1.02645    21.23603     5.08538
    5     1 S   CT   _CA1     5     1.49693    90.62767  -162.26503
    6     5 S   HC   _HA1     6     1.09575   105.09689    72.36275
    7     5 S   CO3  _C1_     7     1.53803   113.24131   -47.58264
    8     7 S   O2Z  _O11     8     1.26342   115.48780   -38.92220
    9     7 S   O2Z  _O12     9     1.26381   114.99349   140.39679
   10     5 S   CT   _CB1    10     1.52934   107.41535  -169.43796
   11    10 S   HC   HB11    11     1.09682   109.74010   -47.05534
   12    10 S   HC   HB12    12     1.09799   110.22917    69.24503
   13    10 S   CT   _CG1    13     1.52956   112.58590  -168.27934
   14    13 S   HC   HG11    14     1.09562   111.16415   -70.20309
   15    13 S   HC   HG12    15     1.09613   110.64898    49.20888
   16    13 S   C    _CD1    16     1.51268   110.50117   168.67429
   17    16 S   O    _OE1    17     1.22864   121.92941  -105.54318
   18    16 S   N    _N2_    18     1.38386   113.08452    73.94977
   19    18 S   H    _HN2    19     1.01550   119.61429     3.92690
   20    18 S   CT1  _CA2    20     1.45482   122.07280  -175.37988
   21    20 S   HC   _HA2    21     1.09641   108.30081    33.33063
   22    20 S   C    _C2_    22     1.52975   107.19681   -83.86459
   23    22 S   O    _O2_    23     1.23029   122.84926   -32.80493
   24    20 S   CT   _CB2    32     1.53157   113.05564   156.26188
   25    24 S   HC   HB21    33     1.09696   109.54111    71.93212
   26    24 S   HC   HB22    34     1.09351   109.84348  -172.39648
   27    22 S   N    _N3_    24     1.38503   112.85683   149.82609
   28    27 S   H    _HN3    25     1.01666   120.40948    -0.87268
   29    24 S   S    _SG2    35     1.83019   116.56315   -47.61094
   30    27 S   CT   _CA3    26     1.45373   122.20177   178.80827
   31    30 S   HC   HA31    27     1.09570   107.29728   -66.54975
   32    30 S   HC   HA32    28     1.09576   108.07850    49.69910
   33    29 S   CT   _C8_    36     1.84788   102.12988   -51.84123
   34    33 S   HC   _H7_    37     1.09457   106.09244    54.59819
   35    30 S   CO3  _C3_    29     1.52838   114.65191   171.75466
   36    35 S   O2Z  _O31    30     1.26283   116.18571    -4.41380
   37    35 S   O2Z  _O32    31     1.26480   114.34889   175.76885
   38    33 S   CT   _C9_    38     1.54719   112.34767   -65.72120
   39    38 S   HC   _H8_    39     1.09615   109.27035    61.30718
   40    38 S   CT   _C4_    40     1.54128   110.61426  -178.82931
   41    40 S   HC   _H3_    41     1.09561   110.69300   173.73772
   42    38 S   OS   _O33    70     1.42952   110.09079   -59.44439
   43    40 S   CT   _C5_    42     1.54161   111.55748    53.34456
   44    43 S   HC   _H4_    43     1.09758   108.09545    64.90950
   45    40 S   OH   _O52    68     1.42843   108.96208   -69.19057
   46    45 S   HO   _H10    69     0.97199   107.19715   -65.60782
   47    42 S   P3   _P1_    71     1.65098   119.60239   136.10128
   48    47 S   O2Z  _O35    72     1.52511   103.66827   172.41530
   49    47 S   O2Z  _O36    73     1.52468   105.00340    52.29492
   50    47 S   O2Z  _O34    74     1.52466   104.72345   -68.10590
   51    43 S   CT   _C6_    44     1.53769   113.10067   -54.05606
   52    51 S   HC   _H5_    45     1.09581   109.69693   176.79484
   53    43 S   OS   _O48    63     1.42847   109.63610  -176.77275
   54    33 S   CT   _C7_    46     1.54925   109.26002   170.51879
   55    54 S   HC   _H6_    47     1.09761   109.59573    62.21185
   56    51 S   OS   _O41    54     1.43341   110.43965   -64.23547
   57    53 S   P3   _P5_    64     1.64976   119.41695  -109.19893
   58    57 S   O2Z  _O50    65     1.52572   103.96911   178.48148
   59    57 S   O2Z  _O51    66     1.52517   104.74755    58.90849
   60    57 S   O2Z  _O49    67     1.52573   104.70025   -61.66376
   61    54 S   OS   _O37    48     1.42859   109.73789   -57.80782
   62    56 S   P2   _P3_    55     1.63598   120.03793  -122.77970
   63    62 S   O2Z  _O43    56     1.51479   109.25899   -54.64075
   64    62 S   O2Z  _O42    57     1.51153   108.85742    79.12253
   65    61 S   P2   _P2_    49     1.63089   119.74612   140.95634
   66    65 S   O2Z  _O40    50     1.51175   108.70724  -103.93108
   67    65 S   O2Z  _O38    51     1.51113   110.95302    31.71814
   68    62 S   OS   _O44    58     1.62898    97.92968  -167.43915
   69    65 S   OS   _O39    52     1.63199    97.63983   144.02039
   70    69 S   HO   _H9_    53     0.98627   113.86704   -66.82105
   71    68 S   P3   _P4_    59     1.64184   131.35078   176.17101
   72    71 S   O2Z  _O46    60     1.52559   103.67865  -171.13381
   73    71 S   O2Z  _O47    61     1.52358   104.96303    68.83530
   74    71 S   O2Z  _O45    62     1.52535   104.54319   -51.91741
  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
  16   8   2   1   1  17   7  13   7   7  15   7   3   1   3   2
   1   1  12   6   6   8   3   6   3   2   1   1   5   7   3   2
   4   3   2   4   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    54    55    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    51    52    54    55    61    65    56    45    42    47  
   38    39    40    51    54    55    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    51    54    55    61    53    45    46    42    47    48    49    50  
   40    41    43    54    45    42    47  
   41    43    44    51    52    54    56    53    57    45    46    42    47  
   43    44    51    53    45    46    42  
   47    48    49    50    43    45    54  
   44    51    52    54    55    61    56    62    53    57    58    59    60    45    46  
   51    52    54    56    53    57    45  
   46    51    53  
    0  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    61    65    56    62    63    64    68    53    57  
   54    55    61    56    62    53  
   57    58    59    60    54    56  
   55    61    65    66    67    69    56    62  
   61    65    56  
   62    63    64    68    71    61  
   58    59    60  
   59    60  
   60  
    0  
   65    66    67    69    70  
   63    64    68    71    72    73    74  
   64    68    71  
   68    71  
   66    67    69    70  
   67    69    70  
   69    70  
   71    72    73    74  
   70  
    0  
   72    73    74  
   73    74  
   74  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   69   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    51   268.000  1.529
   43    53   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    56   320.000  1.410
   54    55   340.000  1.090
   54    61   320.000  1.410
   61    65   230.000  1.697
   65    66   525.000  1.480
   65    67   525.000  1.480
   65    69   230.000  1.697
   69    70   553.000  0.945
   56    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    68   230.000  1.697
   68    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   53    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
   45    46   553.000  0.945
   42    47   230.000  1.630
   47    48   525.000  1.516
   47    49   525.000  1.516
   47    50   525.000  1.516
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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    51    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    51    58.35000  112.70000
   40    43    53    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    56    50.00000  109.50000
   43    53    57    80.00000  112.68000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    61    50.00000  109.50000
   51    56    62   100.00000  120.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    61    65   100.00000  120.50000
   61    54    55    35.00000  109.50000
   61    65    66   100.00000  108.23000
   61    65    67   100.00000  108.23000
   61    65    69    45.00000  102.60000
   65    69    70    45.00000  108.50000
   67    65    66   140.00000  119.90000
   69    65    66   100.00000  108.23000
   69    65    67   100.00000  108.23000
   56    51    52    35.00000  109.50000
   56    51    54    50.00000  109.50000
   56    62    63   100.00000  108.23000
   56    62    64   100.00000  108.23000
   56    62    68    45.00000  102.60000
   62    68    71    45.00000  143.19000
   64    62    63   140.00000  119.90000
   68    62    63   100.00000  108.23000
   68    62    64   100.00000  108.23000
   68    71    72   100.00000  107.00000
   68    71    73   100.00000  107.00000
   68    71    74   100.00000  107.00000
   73    71    72   140.00000  114.00000
   74    71    72   140.00000  114.00000
   74    71    73   140.00000  114.00000
   53    43    44    35.00000  109.50000
   53    43    51    50.00000  109.50000
   53    57    58   100.00000  107.00000
   53    57    59   100.00000  107.00000
   53    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  107.00000
   42    47    49   100.00000  107.00000
   42    47    50   100.00000  107.00000
   49    47    48   140.00000  114.00000
   50    47    48   140.00000  114.00000
   50    47    49   140.00000  114.00000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    51   0.44750  1.0 1.0
   29    33    54    51  -0.17800 -1.0 2.0
   29    33    54    51   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    61   0.56750  1.0 1.0
   29    33    54    61  -0.07550 -1.0 2.0
   29    33    54    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    54    61    65  -2.65550  1.0 1.0
   33    54    61    65  -0.22350 -1.0 2.0
   33    54    61    65   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    51   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    61   0.23400  1.0 3.0
   38    33    54    51   0.56750  1.0 1.0
   38    33    54    51  -0.07550 -1.0 2.0
   38    33    54    51   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    61   0.62750  1.0 1.0
   38    33    54    61  -0.30950 -1.0 2.0
   38    33    54    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.56750  1.0 1.0
   38    40   -43    51  -0.07550 -1.0 2.0
   38    40   -43    51   0.20000  1.0 3.0
   38    40    43    53   0.62750  1.0 1.0
   38    40    43    53  -0.30950 -1.0 2.0
   38    40    43    53   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    54   0.56750  1.0 1.0
   40    43    51    54  -0.07550 -1.0 2.0
   40    43    51    54   0.20000  1.0 3.0
   40    43    51    56   0.62750  1.0 1.0
   40    43    51    56  -0.30950 -1.0 2.0
   40    43    51    56   0.27300  1.0 3.0
   40    43    53    57  -2.65550  1.0 1.0
   40    43    53    57  -0.22350 -1.0 2.0
   40    43    53    57   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    51   -54    33   0.56750  1.0 1.0
   43    51   -54    33  -0.07550 -1.0 2.0
   43    51   -54    33   0.20000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    61   0.62750  1.0 1.0
   43    51    54    61  -0.30950 -1.0 2.0
   43    51    54    61   0.27300  1.0 3.0
   43    51    56    62  -2.65550  1.0 1.0
   43    51    56    62  -0.22350 -1.0 2.0
   43    51    56    62   0.24150  1.0 3.0
   43    53    57    58   0.00000  1.0 1.0
   43    53    57    59   0.00000  1.0 1.0
   43    53    57    60   0.00000  1.0 1.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    56   0.23400  1.0 3.0
   44    43    53    57   0.03000  1.0 3.0
   51    43    53    57  -2.65550  1.0 1.0
   51    43    53    57  -0.22350 -1.0 2.0
   51    43    53    57   0.24150  1.0 3.0
   51    54    61    65  -2.65550  1.0 1.0
   51    54    61    65  -0.22350 -1.0 2.0
   51    54    61    65   0.24150  1.0 3.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   51    56    62    68   0.05050  1.0 1.0
   51    56    62    68  -1.30700 -1.0 2.0
   51    56    62    68   0.91550  1.0 3.0
   52    51    54    33   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    61   0.23400  1.0 3.0
   52    51    56    62   0.03000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    51    56    62  -2.65550  1.0 1.0
   54    51    56    62  -0.22350 -1.0 2.0
   54    51    56    62   0.24150  1.0 3.0
   54    61    65    66   0.00000  1.0 1.0
   54    61    65    67   0.00000  1.0 1.0
   54    61    65    69   0.05050  1.0 1.0
   54    61    65    69  -1.30700 -1.0 2.0
   54    61    65    69   0.91550  1.0 3.0
   55    54    61    65   0.03000  1.0 3.0
   61    65    69    70   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   67    65    69    70   0.00000  1.0 1.0
   56    51    54    33   0.62750  1.0 1.0
   56    51    54    33  -0.30950 -1.0 2.0
   56    51    54    33   0.27300  1.0 3.0
   56    51    54    55   0.23400  1.0 3.0
   56    51    54    61   1.11900  1.0 1.0
   56    51    54    61  -1.16350 -1.0 2.0
   56    51    54    61  -0.34150  1.0 3.0
   56    62    68    71   0.15000  1.0 3.0
   62    68    71    72   0.50000  1.0 3.0
   62    68    71    73   0.50000  1.0 3.0
   62    68    71    74   0.50000  1.0 3.0
   63    62    68    71   0.50000  1.0 3.0
   64    62    68    71   0.50000  1.0 3.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    54   0.62750  1.0 1.0
   53    43    51    54  -0.30950 -1.0 2.0
   53    43    51    54   0.27300  1.0 3.0
   53    43    51    56   1.11900  1.0 1.0
   53    43    51    56  -1.16350 -1.0 2.0
   53    43    51    56  -0.34150  1.0 3.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    51   0.86500  1.0 1.0
   45    40    43    51  -0.17500 -1.0 2.0
   45    40    43    51   0.20800  1.0 3.0
   45    40    43    53   3.69350  1.0 1.0
   45    40    43    53  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
