* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    137    209     403
    1     0 S   NP   _N1_     1    28.95098    95.74933   -20.20499
    2     1 S   H    _HN1     2     1.02938    45.07571   121.47224
    3     1 S   H    _H1_     3     1.02783    82.49315  -114.03690
    4     1 S   H    _H2_     4     1.02833    81.29384    -4.09716
    5     1 S   CT   _CA1     5     1.50470   155.00061   118.64456
    6     5 S   HC   _HA1     6     1.09686   104.64604    65.39182
    7     5 S   CO3  _C1_     7     1.54640   110.75704   -50.78741
    8     7 S   O2Z  _O11     8     1.26089   116.79269  -114.83254
    9     7 S   O2Z  _O12     9     1.26595   113.76195    63.21237
   10     5 S   CT   _CB1    10     1.53168   107.07248  -178.25830
   11    10 S   HC   HB11    11     1.09813   110.59892   -39.38226
   12    10 S   HC   HB12    12     1.09736   110.06954    77.47591
   13    10 S   CT   _CG1    13     1.52899   111.57471  -159.61999
   14    13 S   HC   HG11    14     1.09436   110.44724   -47.79541
   15    13 S   HC   HG12    15     1.09546   109.55717    70.93702
   16    13 S   C    _CD1    16     1.51592   112.90803  -168.17978
   17    16 S   O    _OE1    17     1.22755   123.31986    -0.50668
   18    16 S   N    _N2_    18     1.38522   111.56453   178.27467
   19    18 S   H    _HN2    19     1.02179   119.27027     5.39140
   20    18 S   CT1  _CA2    20     1.45992   123.65311  -172.42736
   21    20 S   HC   _HA2    21     1.09726   109.23089   -10.66596
   22    20 S   C    _C2_    22     1.53348   109.76333  -126.91046
   23    22 S   O    _O2_    23     1.23108   121.87867  -152.66987
   24    20 S   CT   _CB2    32     1.53546   110.64692   110.71073
   25    24 S   HC   HB21    33     1.09561   109.66990    58.67792
   26    24 S   HC   HB22    34     1.09496   110.81980   177.23331
   27    22 S   N    _N3_    24     1.38393   113.73669    35.35999
   28    27 S   H    _HN3    25     1.01524   118.85024    -3.81583
   29    24 S   S    _SG2    35     1.82972   111.25243   -63.22542
   30    27 S   CT   _CA3    26     1.45364   123.25722   175.15103
   31    30 S   HC   HA31    27     1.09550   108.81449    31.60837
   32    30 S   HC   HA32    28     1.09491   107.22608   148.46071
   33    29 S   CT   _C7_    36     1.85026    99.98012   141.56552
   34    33 S   HC   _H4_    37     1.09353   107.52000   -42.15901
   35    30 S   CO3  _C3_    29     1.52936   113.44445   -91.62967
   36    35 S   O2Z  _O31    30     1.26401   115.61165   -43.74932
   37    35 S   O2Z  _O32    31     1.26417   114.94627   137.26140
   38    33 S   CT   _C6_    38     1.53844   110.86533    77.25144
   39    38 S   HC   _H3_    39     1.09951   109.95309   -45.11633
   40    38 S   CT   _C5_    40     1.52781   111.05289    73.65421
   41    40 S   HC   _H11    41     1.09724   109.24631   -70.86624
   42    40 S   HC   _H12    42     1.09706   110.73635   173.20627
   43    38 S   C    _C14    70     1.53039   110.79030  -160.76690
   44    43 S   O    _O40    71     1.22761   123.74234  -105.13083
   45    40 S   CT   _C4_    43     1.51916   112.96668    50.05186
   46    45 S   HC   _H9_    44     1.09634   109.94980  -149.48469
   47    45 S   HC   _H10    45     1.09735   109.50946    94.94337
   48    43 S   N    _N5_    72     1.37616   113.41669    74.11893
   49    48 S   H    _H18    73     1.01487   123.06408     0.27976
   50    48 S   H    _H19    74     1.01431   120.34741  -179.25244
   51    45 S   CG   _C8_    46     1.49782   117.14601   -25.88729
   52    51 S   HC   _H13    47     1.10120   118.62193  -177.89699
   53    33 S   N*   _N4_    48     1.51344   113.25800  -158.72382
   54    53 S   CO   _C9_    49     1.52006   116.96015    83.33801
   55    54 S   HC   _H5_    50     1.09640   105.33895  -117.90169
   56    54 S   CT   _C10    51     1.53813   110.10946   121.80533
   57    56 S   HC   _H6_    52     1.09456   114.83485    18.10822
   58    56 S   CT   _C11    53     1.51308   103.25852  -104.67726
   59    58 S   HC   _H7_    54     1.09465   114.27956  -154.29580
   60    56 S   OH   _O39    68     1.42701   109.88678   139.59856
   61    60 S   HO   _H17    69     0.97248   108.08974   -62.77602
   62    58 S   CT   _C12    55     1.52275   102.13174   -34.10331
   63    62 S   HC   _H8_    56     1.09721   110.44563   -80.18485
   64    58 S   OH   _O38    66     1.42269   109.28507    83.53919
   65    64 S   HO   _H16    67     0.97297   107.54329    70.90913
   66    54 S   OS   _O33    57     1.44282   116.98631     0.17583
   67    62 S   CT   _C13    58     1.52168   114.40001   154.62032
   68    67 S   HC   _H14    59     1.09434   110.68439    51.52796
   69    67 S   HC   _H15    60     1.09480   110.86755   -70.08052
   70    67 S   OS   _O34    61     1.42457   108.82808   170.05735
   71    70 S   P3   _P1_    62     1.64935   117.97390   161.53121
   72    71 S   O2Z  _O36    63     1.52434   103.59456   175.21324
   73    71 S   O2Z  _O37    64     1.52468   104.61299    55.13949
   74    71 S   O2Z  _O35    65     1.52549   104.12198   -65.30198
  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   9   5   4   3
  17   7   2   1   1  15   8  11   6   5   6   3   6   4   3   2
   1   1   6   2   8  12   6  11   7  12   7   4   1   9   6   3
   1   4   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    53    54    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    51    52    53    54    55    56    66    43    44    48  
   38    39    40    51    53    54    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    51    53    54    43    44    48    49    50  
   40    41    42    45    53    43    44    48  
   41    42    45    46    47    51    52    53    43    44    48  
   42    45    46    47    51    43  
   45    46    47    51    43  
   44    48    49    50    45    53  
   48    49    50  
   46    47    51    52    53    54  
   47    51    52    53  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    56    66  
   53    54  
   54    55    56    57    58    62    66    60  
   55    56    57    58    59    62    63    66    67    64    60    61  
   56    57    58    62    66    60  
   57    58    59    62    63    66    67    64    65    60    61  
   58    59    62    66    64    60    61  
   59    62    63    66    67    68    69    70    64    65    60    61  
   62    63    66    67    64    65    60  
   61    62    64    66  
    0  
   63    66    67    68    69    70    71    64    65  
   66    67    68    69    70    64  
   65    66    67  
    0  
   67    68    69    70  
   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   0.514200   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.215700   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050  -0.072300   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.065700   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7400   0.2000   1.919900   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    53   337.000  1.475
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   290.000  1.488
   51    52   385.000  1.083
   51    53   590.000  1.308
   53    54   275.000  1.479
   54    55   340.000  1.090
   54    56   250.000  1.527
   54    66   320.000  1.380
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   320.000  1.410
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    64   320.000  1.410
   62    63   340.000  1.090
   62    66   320.000  1.410
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   320.000  1.410
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   64    65   553.000  0.945
   60    61   553.000  0.945
   43    44   570.000  1.229
   43    48   490.000  1.335
   48    49   434.000  1.010
   48    50   434.000  1.010
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    53    80.00000  108.62000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    53    51    85.00000  113.64000
   33    53    54    65.00000  120.78000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    70.00000  116.60000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    51    70.00000  109.02000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    51    52    35.00000  121.91500
   45    51    53    65.00000  114.34000
   47    45    46    33.00000  107.80000
   51    45    46    45.00000  109.33400
   51    45    47    45.00000  109.33400
   51    53    54    65.00000  122.98000
   53    33    34    35.00000  109.50000
   53    33    38    80.00000  111.20000
   53    51    52    45.00000  115.58000
   53    54    55    55.00000  103.44000
   53    54    56    75.00000  107.44000
   53    54    66   105.00000  106.22000
   54    56    57    45.00000  108.72000
   54    56    58    75.00000  109.43000
   54    56    60    90.00000  111.58700
   54    66    62    60.00000  109.50000
   56    54    55    45.00000  112.01100
   56    58    59    37.50000  110.70000
   56    58    62    58.35000  112.70000
   56    58    64    50.00000  109.50000
   56    60    61    55.00000  108.50000
   58    56    57    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    66    50.00000  109.50000
   58    62    67    58.35000  112.70000
   58    64    65    55.00000  108.50000
   62    58    59    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    50.00000  109.50000
   66    54    55    35.00000  109.50000
   66    54    56    90.00000  108.56700
   66    62    63    35.00000  109.50000
   67    62    63    37.50000  110.70000
   67    62    66    50.00000  109.50000
   67    70    71    80.00000  112.68000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   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
   64    58    59    35.00000  109.50000
   64    58    62    50.00000  109.50000
   60    56    57    35.00000  109.50000
   60    56    58    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    63.00000  111.10000
   43    48    49    35.00000  119.80000
   43    48    50    35.00000  119.80000
   48    43    44    80.00000  122.90000
   50    48    49    35.00000  120.00000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    53    51   0.68100  1.0 1.0
   29    33    53    51   0.03350 -1.0 2.0
   29    33    53    51   0.36200  1.0 3.0
   29    33    53    54   0.68100  1.0 1.0
   29    33    53    54   0.03350 -1.0 2.0
   29    33    53    54   0.36200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    48   1.39750  1.0 1.0
   33    38    43    48  -0.07950 -1.0 2.0
   33    38    43    48  -0.18750  1.0 3.0
   33    53    54    55   0.00000  1.0 1.0
   33    53    54    56   2.08450  1.0 1.0
   33    53    54    56  -0.39300 -1.0 2.0
   33    53    54    56   0.23400  1.0 3.0
   33    53    54    66   0.10350  1.0 1.0
   33    53    54    66  -0.15350 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    53    51   0.00000  1.0 1.0
   34    33    53    54   0.00000  1.0 1.0
   38    33    53    51   2.08450  1.0 1.0
   38    33    53    51  -0.39300 -1.0 2.0
   38    33    53    51   0.23400  1.0 3.0
   38    33    53    54   0.00000  1.0 1.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40   -45    51   0.34400  1.0 1.0
   38    40   -45    51   0.09450 -1.0 2.0
   38    40   -45    51   0.11100  1.0 3.0
   38    43    48    49   2.45000 -1.0 2.0
   38    43    48    50   2.45000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   0.00000  1.0 1.0
   40    38    43    44   0.30150 -1.0 2.0
   40    38    43    48   1.39750  1.0 1.0
   40    38    43    48  -0.07950 -1.0 2.0
   40    38    43    48  -0.18750  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53  -0.93550  1.0 1.0
   40    45    51    53   0.38900 -1.0 2.0
   40    45    51    53   0.16950  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    51   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    51   0.15000  1.0 3.0
   45    51   -53    33   3.62500 -1.0 2.0
   45    51    53    54   3.62500 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    53   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    53   0.00000  1.0 1.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    56   2.08450  1.0 1.0
   51    53    54    56  -0.39300 -1.0 2.0
   51    53    54    56   0.23400  1.0 3.0
   51    53    54    66  -0.28000  1.0 1.0
   51    53    54    66  -1.16550 -1.0 2.0
   52    51    53    33   1.88100 -1.0 2.0
   52    51    53    54   1.88100 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40  -0.64600  1.0 1.0
   53    33   -38    40   0.58400 -1.0 2.0
   53    33    38    43  -2.10200  1.0 1.0
   53    33    38    43  -0.31600 -1.0 2.0
   53    33    38    43   0.13050  1.0 3.0
   53    54    56    57   0.15000  1.0 3.0
   53    54    56    58  -0.27100  1.0 1.0
   53    54    56    58  -0.01700 -1.0 2.0
   53    54    56    58  -0.48600  1.0 3.0
   53    54    56    60   2.76900  1.0 1.0
   53    54    56    60  -0.24350 -1.0 2.0
   53    54    56    60  -0.78250  1.0 3.0
   53    54    66    62  -2.37750  1.0 1.0
   53    54    66    62  -0.08150 -1.0 2.0
   53    54    66    62   0.59000  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56   -58    62   3.97050  1.0 1.0
   54    56    58    64   0.86500  1.0 1.0
   54    56    58    64  -0.17500 -1.0 2.0
   54    56    58    64   0.20800  1.0 3.0
   54    56    60    61  -0.11600  1.0 1.0
   54    56    60    61  -0.09450 -1.0 2.0
   54    56    60    61   0.21250  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.23400  1.0 3.0
   55    54    66    62   0.37050  1.0 3.0
   56    54   -66    62   0.06250  1.0 1.0
   56    54   -66    62  -0.01100 -1.0 2.0
   56    54   -66    62   0.28050  1.0 3.0
   56    58    62    63   0.15000  1.0 3.0
   56    58   -62    66   0.62750  1.0 1.0
   56    58   -62    66  -0.30950 -1.0 2.0
   56    58   -62    66   0.27300  1.0 3.0
   56    58    62    67   0.56750  1.0 1.0
   56    58    62    67  -0.07550 -1.0 2.0
   56    58    62    67   0.20000  1.0 3.0
   56    58    64    65  -0.11600  1.0 1.0
   56    58    64    65  -0.09450 -1.0 2.0
   56    58    64    65   0.21250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    62   0.15000  1.0 3.0
   57    56    58    64   0.23400  1.0 3.0
   57    56    60    61   0.19450  1.0 3.0
   58    56    60    61  -0.11600  1.0 1.0
   58    56    60    61  -0.09450 -1.0 2.0
   58    56    60    61   0.21250  1.0 3.0
   58    62   -66    54   0.06250  1.0 1.0
   58    62   -66    54  -0.01100 -1.0 2.0
   58    62   -66    54   0.28050  1.0 3.0
   58    62    67    68   0.15000  1.0 3.0
   58    62    67    69   0.15000  1.0 3.0
   58    62    67    70   0.62750  1.0 1.0
   58    62    67    70  -0.30950 -1.0 2.0
   58    62    67    70   0.27300  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    66   0.23400  1.0 3.0
   59    58    62    67   0.15000  1.0 3.0
   59    58    64    65   0.19450  1.0 3.0
   62    58    64    65  -0.11600  1.0 1.0
   62    58    64    65  -0.09450 -1.0 2.0
   62    58    64    65   0.21250  1.0 3.0
   62    67    70    71  -2.65550  1.0 1.0
   62    67    70    71  -0.22350 -1.0 2.0
   62    67    70    71   0.24150  1.0 3.0
   63    62    66    54   0.37050  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.23400  1.0 3.0
   66    54    56    57   0.23400  1.0 3.0
   66    54   -56    58   0.62750  1.0 1.0
   66    54   -56    58  -0.30950 -1.0 2.0
   66    54   -56    58   0.27300  1.0 3.0
   66    54    56    60   3.69350  1.0 1.0
   66    54    56    60  -1.82950 -1.0 2.0
   66    62    67    68   0.23400  1.0 3.0
   66    62    67    69   0.23400  1.0 3.0
   66    62    67    70   1.11900  1.0 1.0
   66    62    67    70  -1.16350 -1.0 2.0
   66    62    67    70  -0.34150  1.0 3.0
   67    62    66    54   0.06250  1.0 1.0
   67    62    66    54  -0.01100 -1.0 2.0
   67    62    66    54   0.28050  1.0 3.0
   67    70    71    72   0.00000  1.0 1.0
   67    70    71    73   0.00000  1.0 1.0
   67    70    71    74   0.00000  1.0 1.0
   68    67    70    71   0.03000  1.0 3.0
   69    67    70    71   0.03000  1.0 3.0
   64    58    62    63   0.23400  1.0 3.0
   64    58    62    66   3.69350  1.0 1.0
   64    58    62    66  -1.82950 -1.0 2.0
   64    58    62    67   0.86500  1.0 1.0
   64    58    62    67  -0.17500 -1.0 2.0
   64    58    62    67   0.20800  1.0 3.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    62   0.86500  1.0 1.0
   60    56    58    62  -0.17500 -1.0 2.0
   60    56    58    62   0.20800  1.0 3.0
   60    56    58    64   3.75450  1.0 1.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    45  -0.95700  1.0 1.0
   43    38    40    45  -0.18200 -1.0 2.0
   43    38    40    45   0.29450  1.0 3.0
   44    43    48    49   2.45000 -1.0 2.0
   44    43    48    50   2.45000 -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
   45    52    51    53  10.50000 -1.0 2.0
   33    54    53    51   1.00000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
   50    43    48    49   1.00000 -1.0 2.0
END
