* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    185     379
    1     0 S   NP   _N1_     1    28.15042    98.35348   -22.35144
    2     1 S   H    _HN1     2     1.02777   107.24181  -115.26116
    3     1 S   H    _H1_     3     1.02957    67.43668   -12.09046
    4     1 S   H    _H2_     4     1.02835    42.09869   146.90323
    5     1 S   CT   _CA1     5     1.50157   138.36833    83.66479
    6     5 S   HC   _HA1     6     1.09575   105.18056    99.00994
    7     5 S   CO3  _C1_     7     1.53761   112.31568   -21.13051
    8     7 S   O2Z  _O11     8     1.26371   114.98006   -43.94094
    9     7 S   O2Z  _O12     9     1.26223   114.92318   134.95968
   10     5 S   CT   _CB1    10     1.53072   107.39796  -143.10616
   11    10 S   HC   HB11    11     1.09833   109.27595   -50.08643
   12    10 S   HC   HB12    12     1.09814   110.45212    66.44353
   13    10 S   CT   _CG1    13     1.53049   112.73408  -171.12263
   14    13 S   HC   HG11    14     1.09587   110.56543   -65.88641
   15    13 S   HC   HG12    15     1.09660   109.86418    53.35177
   16    13 S   C    _CD1    16     1.51861   112.15876   173.69494
   17    16 S   O    _OE1    17     1.22773   123.22149     4.37990
   18    16 S   N    _N2_    18     1.38545   111.85818  -175.66523
   19    18 S   H    _HN2    19     1.01587   119.18427     3.39275
   20    18 S   CT1  _CA2    20     1.45902   122.75536   177.26369
   21    20 S   HC   _HA2    21     1.09711   108.86931    26.62359
   22    20 S   C    _C2_    22     1.52891   106.51333   -90.66132
   23    22 S   O    _O2_    23     1.23021   122.84113   -32.50548
   24    20 S   CT   _CB2    32     1.53140   112.33898   149.91603
   25    24 S   HC   HB21    33     1.09594   110.07927    55.05238
   26    24 S   HC   HB22    34     1.09452   109.94446   173.88637
   27    22 S   N    _N3_    24     1.38476   112.81558   149.86107
   28    27 S   H    _HN3    25     1.01664   120.39870    -0.39217
   29    24 S   S    _SG2    35     1.82715   110.99817   -65.78141
   30    27 S   CT   _CA3    26     1.45384   122.31704   178.88566
   31    30 S   HC   HA31    27     1.09569   107.29843   -67.64186
   32    30 S   HC   HA32    28     1.09581   108.11422    48.65982
   33    29 S   CT   _C6_    36     1.84315    99.70215   166.78285
   34    33 S   HC   _H7_    37     1.09399   105.74327   -45.27922
   35    30 S   CO3  _C3_    29     1.52875   114.55452   170.79529
   36    35 S   O2Z  _O31    30     1.26299   116.15778    -1.74787
   37    35 S   O2Z  _O32    31     1.26474   114.36619   178.40259
   38    33 S   CT   _C5_    38     1.54243   111.92502    72.36609
   39    38 S   HC   _H4_    39     1.09259   110.56276   -45.01090
   40    38 S   CT   _C4_    40     1.53859   112.10242    76.58768
   41    40 S   HC   _H3_    41     1.09646   109.28697   -64.84147
   42    38 S   OS   _O42    68     1.43135   109.47643  -162.23911
   43    40 S   CT   _C9_    42     1.53789   112.62019    54.75086
   44    43 S   HC   _H8_    43     1.09647   108.10380  -176.87463
   45    40 S   OS   _O46    62     1.42878   111.72449   176.61297
   46    42 S   P2   _P3_    69     1.62974   119.65250    87.67662
   47    46 S   O2Z  _O45    70     1.51210   109.64170    53.08520
   48    46 S   O2Z  _O43    71     1.51156   109.57352   -82.25542
   49    43 S   CT   _C8_    44     1.53507   111.25433   -55.66970
   50    49 S   HC   _H6_    45     1.09794   108.62709   171.17045
   51    43 S   OH   _O33    60     1.42737   110.47209    67.13561
   52    51 S   HO   _H9_    61     0.97189   107.71377  -176.88951
   53    45 S   P2   _P4_    63     1.63051   121.32239    71.40398
   54    53 S   O2Z  _O49    64     1.51256   108.29864   145.09524
   55    53 S   O2Z  _O47    65     1.51161   110.87732    10.55081
   56    46 S   OS   _O44    72     1.62997    98.17794   165.17301
   57    56 S   HO   _H12    73     0.97889   116.03744   -76.77453
   58    33 S   CT   _C7_    46     1.54934   110.58014  -160.86511
   59    58 S   HC   _H5_    47     1.09755   109.99857    41.63226
   60    49 S   OS   _O34    54     1.42591   108.58403   -70.06984
   61    53 S   OS   _O48    66     1.62961    98.85204  -102.96955
   62    61 S   HO   _H13    67     0.98378   117.73394    76.49656
   63    58 S   OS   _O38    48     1.43133   108.43683   159.23113
   64    60 S   P2   _P1_    55     1.63015   118.57028  -104.13244
   65    64 S   O2Z  _O37    56     1.51086   109.72097    64.60584
   66    64 S   O2Z  _O35    57     1.51124   108.89584   -70.21412
   67    63 S   P2   _P2_    49     1.63133   120.33843   -88.66182
   68    67 S   O2Z  _O41    50     1.51206   108.38554  -114.70388
   69    67 S   O2Z  _O39    51     1.51171   111.06246    20.51283
   70    64 S   OS   _O36    58     1.62979    98.57490   177.53844
   71    70 S   HO   _H10    59     0.97843   116.22311   168.60836
   72    67 S   OS   _O40    52     1.63058    97.98623   133.18993
   73    72 S   HO   _H11    53     0.98495   116.04493   -71.74911
  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   7   4   3   2
  12   6   3   1   4   3   2   1   1   8   3   6   1   1   5   4
   3   2   4   3   2   1   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    58    59    63    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    58    59    63    67    60    45    42    46  
   38    39    40    49    58    59    63    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    58    59    63    51    45    53    42    46    47    48    56  
   40    41    43    58    45    42    46  
   41    43    44    49    50    58    60    51    52    45    53    54    55    61    42    46  
   43    44    49    51    45    53    42  
   46    47    48    56    57    43    45    58  
   44    49    50    58    59    63    60    64    51    52    45    53  
   49    50    58    60    51    52    45  
   53    54    55    61    62    49    51  
   47    48    56    57  
   48    56    57  
   56    57  
   50    58    59    63    67    60    64    65    66    70    51    52  
   58    59    63    60    64    51  
   52    58    60  
    0  
   54    55    61    62  
   55    61    62  
   61    62  
   57  
    0  
   59    63    67    68    69    72    60    64  
   63    67    60  
   64    65    66    70    71    63  
   62  
    0  
   67    68    69    72    73  
   65    66    70    71  
   66    70    71  
   70    71  
   68    69    72    73  
   69    72    73  
   72    73  
   71  
    0  
   73  
    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  -0.610000   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   1.662500   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   3.7400   0.2000   1.662500   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  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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    58   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    58   268.000  1.529
   49    60   320.000  1.410
   58    59   340.000  1.090
   58    63   320.000  1.410
   63    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    72   230.000  1.697
   72    73   553.000  0.945
   60    64   230.000  1.697
   64    65   525.000  1.480
   64    66   525.000  1.480
   64    70   230.000  1.697
   70    71   553.000  0.945
   51    52   553.000  0.945
   45    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    61   230.000  1.697
   61    62   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    56   230.000  1.697
   56    57   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    58    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    58    49    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    63    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   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    58    58.35000  112.70000
   43    49    60    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    63    50.00000  109.50000
   49    60    64   100.00000  120.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    49    50    37.50000  110.70000
   58    63    67   100.00000  120.50000
   63    58    59    35.00000  109.50000
   63    67    68   100.00000  108.23000
   63    67    69   100.00000  108.23000
   63    67    72    45.00000  102.60000
   67    72    73    45.00000  108.50000
   69    67    68   140.00000  119.90000
   72    67    68   100.00000  108.23000
   72    67    69   100.00000  108.23000
   60    49    50    35.00000  109.50000
   60    49    58    50.00000  109.50000
   60    64    65   100.00000  108.23000
   60    64    66   100.00000  108.23000
   60    64    70    45.00000  102.60000
   64    70    71    45.00000  108.50000
   66    64    65   140.00000  119.90000
   70    64    65   100.00000  108.23000
   70    64    66   100.00000  108.23000
   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  108.23000
   45    53    55   100.00000  108.23000
   45    53    61    45.00000  102.60000
   53    61    62    45.00000  108.50000
   55    53    54   140.00000  119.90000
   61    53    54   100.00000  108.23000
   61    53    55   100.00000  108.23000
   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    56    45.00000  102.60000
   46    56    57    45.00000  108.50000
   48    46    47   140.00000  119.90000
   56    46    47   100.00000  108.23000
   56    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    58    49   0.44750  1.0 1.0
   29    33    58    49  -0.17800 -1.0 2.0
   29    33    58    49   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    63   0.56750  1.0 1.0
   29    33    58    63  -0.07550 -1.0 2.0
   29    33    58    63   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    58    63    67  -2.65550  1.0 1.0
   33    58    63    67  -0.22350 -1.0 2.0
   33    58    63    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    58    49   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    63   0.23400  1.0 3.0
   38    33    58    49   0.56750  1.0 1.0
   38    33    58    49  -0.07550 -1.0 2.0
   38    33    58    49   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    63   0.62750  1.0 1.0
   38    33    58    63  -0.30950 -1.0 2.0
   38    33    58    63   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    56   0.05050  1.0 1.0
   38    42    46    56  -1.30700 -1.0 2.0
   38    42    46    56   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    58   0.56750  1.0 1.0
   40    43    49    58  -0.07550 -1.0 2.0
   40    43    49    58   0.20000  1.0 3.0
   40    43    49    60   0.62750  1.0 1.0
   40    43    49    60  -0.30950 -1.0 2.0
   40    43    49    60   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    61   0.05050  1.0 1.0
   40    45    53    61  -1.30700 -1.0 2.0
   40    45    53    61   0.91550  1.0 3.0
   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   -58    33   0.56750  1.0 1.0
   43    49   -58    33  -0.07550 -1.0 2.0
   43    49   -58    33   0.20000  1.0 3.0
   43    49    58    59   0.15000  1.0 3.0
   43    49    58    63   0.62750  1.0 1.0
   43    49    58    63  -0.30950 -1.0 2.0
   43    49    58    63   0.27300  1.0 3.0
   43    49    60    64  -2.65550  1.0 1.0
   43    49    60    64  -0.22350 -1.0 2.0
   43    49    60    64   0.24150  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    58   0.15000  1.0 3.0
   44    43    49    60   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    58    63    67  -2.65550  1.0 1.0
   49    58    63    67  -0.22350 -1.0 2.0
   49    58    63    67   0.24150  1.0 3.0
   49    60    64    65   0.00000  1.0 1.0
   49    60    64    66   0.00000  1.0 1.0
   49    60    64    70   0.05050  1.0 1.0
   49    60    64    70  -1.30700 -1.0 2.0
   49    60    64    70   0.91550  1.0 3.0
   50    49    58    33   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.23400  1.0 3.0
   50    49    60    64   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    49    60    64  -2.65550  1.0 1.0
   58    49    60    64  -0.22350 -1.0 2.0
   58    49    60    64   0.24150  1.0 3.0
   58    63    67    68   0.00000  1.0 1.0
   58    63    67    69   0.00000  1.0 1.0
   58    63    67    72   0.05050  1.0 1.0
   58    63    67    72  -1.30700 -1.0 2.0
   58    63    67    72   0.91550  1.0 3.0
   59    58    63    67   0.03000  1.0 3.0
   63    67    72    73   0.00000  1.0 1.0
   68    67    72    73   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   60    49    58    33   0.62750  1.0 1.0
   60    49    58    33  -0.30950 -1.0 2.0
   60    49    58    33   0.27300  1.0 3.0
   60    49    58    59   0.23400  1.0 3.0
   60    49    58    63   1.11900  1.0 1.0
   60    49    58    63  -1.16350 -1.0 2.0
   60    49    58    63  -0.34150  1.0 3.0
   60    64    70    71   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    58   0.86500  1.0 1.0
   51    43    49    58  -0.17500 -1.0 2.0
   51    43    49    58   0.20800  1.0 3.0
   51    43    49    60   3.69350  1.0 1.0
   51    43    49    60  -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
   45    53    61    62   0.00000  1.0 1.0
   54    53    61    62   0.00000  1.0 1.0
   55    53    61    62   0.00000  1.0 1.0
   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    56    57   0.00000  1.0 1.0
   47    46    56    57   0.00000  1.0 1.0
   48    46    56    57   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
