* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    31.34653    89.23854   -20.01461
    2     1 S   H    _HN1     2     1.03685   116.47196    98.61505
    3     1 S   H    _H1_     3     1.02696    30.90861    19.53569
    4     1 S   H    _H2_     4     1.03619   126.44810   -39.58183
    5     1 S   CT   _CA1     5     1.50259    81.02546  -150.50199
    6     5 S   HC   _HA1     6     1.09682   104.54535    69.57671
    7     5 S   CO3  _C1_     7     1.54284   111.51732   -46.18918
    8     7 S   O2Z  _O11     8     1.26115   116.81373  -118.66053
    9     7 S   O2Z  _O12     9     1.26662   114.03269    61.01753
   10     5 S   CT   _CB1    10     1.52955   106.75015  -174.75312
   11    10 S   HC   HB11    11     1.09692   109.14901   -46.18324
   12    10 S   HC   HB12    12     1.09763   109.72478    69.58317
   13    10 S   CT   _CG1    13     1.53495   113.61110  -167.59824
   14    13 S   HC   HG11    14     1.09482   111.29673   -83.17516
   15    13 S   HC   HG12    15     1.09610   110.37641    36.54801
   16    13 S   C    _CD1    16     1.51760   111.16103   155.71068
   17    16 S   O    _OE1    17     1.22798   122.00319  -123.86630
   18    16 S   N    _N2_    18     1.38341   113.08896    57.09317
   19    18 S   H    _HN2    19     1.01538   118.81716     3.95414
   20    18 S   CT1  _CA2    20     1.46033   122.73839  -162.93381
   21    20 S   HC   _HA2    21     1.09650   107.49011    40.79736
   22    20 S   C    _C2_    22     1.53117   110.89602   -76.65299
   23    22 S   O    _O2_    23     1.23110   121.33818   155.97380
   24    20 S   CT   _CB2    32     1.53756   111.53791   162.65105
   25    24 S   HC   HB21    33     1.09673   109.58634    76.19373
   26    24 S   HC   HB22    34     1.09490   110.91983  -167.03063
   27    22 S   N    _N3_    24     1.38314   114.28536   -32.01843
   28    27 S   H    _HN3    25     1.01646   119.30351     6.65325
   29    24 S   S    _SG2    35     1.82835   114.28204   -41.88612
   30    27 S   CT   _CA3    26     1.45255   122.88753  -176.39739
   31    30 S   HC   HA31    27     1.09561   107.52449   -61.77887
   32    30 S   HC   HA32    28     1.09566   107.87653    54.51489
   33    29 S   CT   _C7_    36     1.84412   101.11658   -75.55304
   34    33 S   HC   _H6_    37     1.09380   108.21022    32.80019
   35    30 S   CO3  _C3_    29     1.52871   114.40715   176.51507
   36    35 S   O2Z  _O31    30     1.26329   116.16517     0.09487
   37    35 S   O2Z  _O32    31     1.26469   114.38345  -179.84423
   38    33 S   CT   _C6_    38     1.54849   110.08365   -86.79608
   39    38 S   HC   _H5_    39     1.09634   111.22828    47.31539
   40    38 S   CT   _C5_    40     1.54658   112.10068   -73.33588
   41    40 S   HC   _H4_    41     1.09694   107.99551    66.46434
   42    38 S   OS   _O44    69     1.43171   109.67307   164.81806
   43    40 S   CT   _C4_    42     1.53585   113.59787   -52.25452
   44    43 S   HC   _H3_    43     1.09591   110.12641   176.41925
   45    40 S   OS   _O48    64     1.42843   109.80299  -175.69771
   46    42 S   P2   _P4_    70     1.63276   120.68751   -79.80716
   47    46 S   O2Z  _O47    71     1.51296   108.70477  -134.44615
   48    46 S   O2Z  _O45    72     1.51243   111.06657     0.50783
   49    43 S   CT   _C9_    44     1.53670   109.35690    55.34803
   50    49 S   HC   _H8_    45     1.09619   107.81644    63.81902
   51    43 S   OH   _O52    62     1.42787   110.58022   -67.25721
   52    51 S   HO   _H10    63     0.97331   106.97924   158.28699
   53    45 S   P3   _P5_    65     1.64972   118.92287  -114.32628
   54    53 S   O2Z  _O50    66     1.52523   103.82153   178.95714
   55    53 S   O2Z  _O51    67     1.52575   104.60881    59.08467
   56    53 S   O2Z  _O49    68     1.52562   104.53396   -61.32899
   57    46 S   OS   _O46    73     1.62942    98.77928   113.48453
   58    57 S   HO   _H9_    74     0.98139   117.77995   -77.28995
   59    33 S   CT   _C8_    46     1.54933   109.32555   149.34201
   60    59 S   HC   _H7_    47     1.09437   110.26864   -49.78370
   61    49 S   OS   _O33    57     1.42873   109.39092  -178.44103
   62    59 S   OS   _O37    48     1.43189   108.83198  -167.95471
   63    61 S   P3   _P1_    58     1.65047   118.76159  -127.22051
   64    63 S   O2Z  _O35    59     1.52468   103.78926  -175.94001
   65    63 S   O2Z  _O36    60     1.52498   104.37005    64.35132
   66    63 S   O2Z  _O34    61     1.52648   104.91560   -56.08711
   67    62 S   P2   _P2_    49     1.63240   121.56553   111.67719
   68    67 S   O2Z  _O39    50     1.51291   109.54940    42.94102
   69    67 S   O2Z  _O38    51     1.51348   107.41171   175.23646
   70    67 S   OS   _O40    52     1.62725    98.79053   -71.45302
   71    70 S   P3   _P3_    53     1.64212   130.94821   176.82985
   72    71 S   O2Z  _O42    54     1.52480   103.31211   172.62339
   73    71 S   O2Z  _O43    55     1.52411   104.95069    53.11938
   74    71 S   O2Z  _O41    56     1.52491   104.64785   -67.48217
  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  16   7   8  12   7   6   4   3   2
  12   6   3   1   3   2   1   1   1   1   8   3   5   5   3   2
   1   1   7   3   2   4   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    59    60    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    59    60    62    67    61    45    42    46  
   38    39    40    49    59    60    62    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    59    60    62    51    45    53    42    46    47    48    57  
   40    41    43    59    45    42    46  
   41    43    44    49    50    59    61    51    52    45    53    54    55    56    42    46  
   43    44    49    51    45    53    42  
   46    47    48    57    58    43    45    59  
   44    49    50    59    60    62    61    63    51    52    45    53  
   49    50    59    61    51    52    45  
   53    54    55    56    49    51  
   47    48    57    58  
   48    57    58  
   57    58  
   50    59    60    62    67    61    63    64    65    66    51    52  
   59    60    62    61    63    51  
   52    59    61  
    0  
   54    55    56  
   55    56  
   56  
    0  
   58  
    0  
   60    62    67    68    69    70    61    63  
   62    67    61  
   63    64    65    66    62  
   67    68    69    70    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   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   0.140000   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  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   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   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   62   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   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    59   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    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    59   268.000  1.529
   49    61   320.000  1.410
   59    60   340.000  1.090
   59    62   320.000  1.410
   62    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    70   230.000  1.697
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   61    63   230.000  1.630
   63    64   525.000  1.516
   63    65   525.000  1.516
   63    66   525.000  1.516
   51    52   553.000  0.945
   45    53   230.000  1.630
   53    54   525.000  1.516
   53    55   525.000  1.516
   53    56   525.000  1.516
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    57   230.000  1.697
   57    58   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    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    59    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    59    49    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    62    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    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    53    80.00000  112.68000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    59    58.35000  112.70000
   43    49    61    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    62    50.00000  109.50000
   49    61    63    80.00000  112.68000
   59    33    34    37.50000  110.70000
   59    33    38    58.35000  112.70000
   59    49    50    37.50000  110.70000
   59    62    67   100.00000  120.50000
   62    59    60    35.00000  109.50000
   62    67    68   100.00000  108.23000
   62    67    69   100.00000  108.23000
   62    67    70    45.00000  102.60000
   67    70    71    45.00000  143.19000
   69    67    68   140.00000  119.90000
   70    67    68   100.00000  108.23000
   70    67    69   100.00000  108.23000
   70    71    72   100.00000  107.00000
   70    71    73   100.00000  107.00000
   70    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
   61    49    50    35.00000  109.50000
   61    49    59    50.00000  109.50000
   61    63    64   100.00000  107.00000
   61    63    65   100.00000  107.00000
   61    63    66   100.00000  107.00000
   65    63    64   140.00000  114.00000
   66    63    64   140.00000  114.00000
   66    63    65   140.00000  114.00000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    53    54   100.00000  107.00000
   45    53    55   100.00000  107.00000
   45    53    56   100.00000  107.00000
   55    53    54   140.00000  114.00000
   56    53    54   140.00000  114.00000
   56    53    55   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    57    45.00000  102.60000
   46    57    58    45.00000  108.50000
   48    46    47   140.00000  119.90000
   57    46    47   100.00000  108.23000
   57    46    48   100.00000  108.23000
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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    59    49   0.44750  1.0 1.0
   29    33    59    49  -0.17800 -1.0 2.0
   29    33    59    49   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    62   0.56750  1.0 1.0
   29    33    59    62  -0.07550 -1.0 2.0
   29    33    59    62   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   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    59    62    67  -2.65550  1.0 1.0
   33    59    62    67  -0.22350 -1.0 2.0
   33    59    62    67   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    59    49   0.15000  1.0 3.0
   34    33    59    60   0.15000  1.0 3.0
   34    33    59    62   0.23400  1.0 3.0
   38    33    59    49   0.56750  1.0 1.0
   38    33    59    49  -0.07550 -1.0 2.0
   38    33    59    49   0.20000  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    62   0.62750  1.0 1.0
   38    33    59    62  -0.30950 -1.0 2.0
   38    33    59    62   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    53  -2.65550  1.0 1.0
   38    40    45    53  -0.22350 -1.0 2.0
   38    40    45    53   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    57   0.05050  1.0 1.0
   38    42    46    57  -1.30700 -1.0 2.0
   38    42    46    57   0.91550  1.0 3.0
   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    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    59   0.56750  1.0 1.0
   40    43    49    59  -0.07550 -1.0 2.0
   40    43    49    59   0.20000  1.0 3.0
   40    43    49    61   0.62750  1.0 1.0
   40    43    49    61  -0.30950 -1.0 2.0
   40    43    49    61   0.27300  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   40    45    53    54   0.00000  1.0 1.0
   40    45    53    55   0.00000  1.0 1.0
   40    45    53    56   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    53   0.03000  1.0 3.0
   43    40    45    53  -2.65550  1.0 1.0
   43    40    45    53  -0.22350 -1.0 2.0
   43    40    45    53   0.24150  1.0 3.0
   43    49   -59    33   0.56750  1.0 1.0
   43    49   -59    33  -0.07550 -1.0 2.0
   43    49   -59    33   0.20000  1.0 3.0
   43    49    59    60   0.15000  1.0 3.0
   43    49    59    62   0.62750  1.0 1.0
   43    49    59    62  -0.30950 -1.0 2.0
   43    49    59    62   0.27300  1.0 3.0
   43    49    61    63  -2.65550  1.0 1.0
   43    49    61    63  -0.22350 -1.0 2.0
   43    49    61    63   0.24150  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    59   0.15000  1.0 3.0
   44    43    49    61   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    59    62    67  -2.65550  1.0 1.0
   49    59    62    67  -0.22350 -1.0 2.0
   49    59    62    67   0.24150  1.0 3.0
   49    61    63    64   0.00000  1.0 1.0
   49    61    63    65   0.00000  1.0 1.0
   49    61    63    66   0.00000  1.0 1.0
   50    49    59    33   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    62   0.23400  1.0 3.0
   50    49    61    63   0.03000  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33   -38    40   0.56750  1.0 1.0
   59    33   -38    40  -0.07550 -1.0 2.0
   59    33   -38    40   0.20000  1.0 3.0
   59    33    38    42   0.62750  1.0 1.0
   59    33    38    42  -0.30950 -1.0 2.0
   59    33    38    42   0.27300  1.0 3.0
   59    49    61    63  -2.65550  1.0 1.0
   59    49    61    63  -0.22350 -1.0 2.0
   59    49    61    63   0.24150  1.0 3.0
   59    62    67    68   0.00000  1.0 1.0
   59    62    67    69   0.00000  1.0 1.0
   59    62    67    70   0.05050  1.0 1.0
   59    62    67    70  -1.30700 -1.0 2.0
   59    62    67    70   0.91550  1.0 3.0
   60    59    62    67   0.03000  1.0 3.0
   62    67    70    71   0.15000  1.0 3.0
   67    70    71    72   0.50000  1.0 3.0
   67    70    71    73   0.50000  1.0 3.0
   67    70    71    74   0.50000  1.0 3.0
   68    67    70    71   0.50000  1.0 3.0
   69    67    70    71   0.50000  1.0 3.0
   61    49    59    33   0.62750  1.0 1.0
   61    49    59    33  -0.30950 -1.0 2.0
   61    49    59    33   0.27300  1.0 3.0
   61    49    59    60   0.23400  1.0 3.0
   61    49    59    62   1.11900  1.0 1.0
   61    49    59    62  -1.16350 -1.0 2.0
   61    49    59    62  -0.34150  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    59   0.86500  1.0 1.0
   51    43    49    59  -0.17500 -1.0 2.0
   51    43    49    59   0.20800  1.0 3.0
   51    43    49    61   3.69350  1.0 1.0
   51    43    49    61  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   3.69350  1.0 1.0
   45    40    43    51  -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   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    57    58   0.00000  1.0 1.0
   47    46    57    58   0.00000  1.0 1.0
   48    46    57    58   0.00000  1.0 1.0
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
