* LIGAND DATABASE FILE (OPLS2005)
*
001      77    76    134    194     391
    1     0 S   NP   _N1_     1    28.60441    93.74853   -20.25666
    2     1 S   H    _HN1     2     1.03320    95.13449    41.77747
    3     1 S   H    _H1_     3     1.02703    28.93275   158.81806
    4     1 S   H    _H2_     4     1.03113    87.16489   -64.20982
    5     1 S   CT   _CA1     5     1.49792   140.07245   173.39396
    6     5 S   HC   _HA1     6     1.09593   105.15397    53.48527
    7     5 S   CO3  _C1_     7     1.53764   112.62603   -66.43141
    8     7 S   O2Z  _O11     8     1.26306   115.31334   -47.43788
    9     7 S   O2Z  _O12     9     1.26316   114.80956   131.93411
   10     5 S   CT   _CB1    10     1.53133   107.51196   171.03104
   11    10 S   HC   HB11    11     1.09765   109.07896   -53.17385
   12    10 S   HC   HB12    12     1.09816   110.55328    63.34274
   13    10 S   CT   _CG1    13     1.52990   112.73586  -174.29583
   14    13 S   HC   HG11    14     1.09604   110.25856   -64.65031
   15    13 S   HC   HG12    15     1.09647   110.10035    54.49026
   16    13 S   C    _CD1    16     1.51818   112.38856   174.61661
   17    16 S   O    _OE1    17     1.22689   123.25450    -8.78092
   18    16 S   N    _N2_    18     1.38657   111.67556   172.00719
   19    18 S   H    _HN2    19     1.01584   118.98717    -0.57539
   20    18 S   CT1  _CA2    20     1.46209   123.36193   179.85598
   21    20 S   HC   _HA2    21     1.09592   109.00309   -18.87661
   22    20 S   C    _C2_    22     1.53480   108.23290  -134.12971
   23    22 S   O    _O2_    23     1.23015   122.27742  -146.50315
   24    20 S   CT   _CB2    32     1.53514   111.69459   103.84267
   25    24 S   HC   HB21    33     1.09658   109.48883    55.45450
   26    24 S   HC   HB22    34     1.09474   111.37984   172.85534
   27    22 S   N    _N3_    24     1.38534   113.37014    40.79370
   28    27 S   H    _HN3    25     1.01551   118.88068    -0.39067
   29    24 S   S    _SG2    35     1.82812   113.86233   -63.93560
   30    27 S   CT   _CA3    26     1.45447   123.47847   175.70459
   31    30 S   HC   HA31    27     1.09518   109.38246    22.46430
   32    30 S   HC   HA32    28     1.09504   107.11197   139.41413
   33    29 S   CT   _C14    36     1.83081   100.15414   -77.28439
   34    33 S   HC   _H5_    37     1.09350   109.27867    39.70596
   35    30 S   CO3  _C3_    29     1.52870   112.88650  -101.12143
   36    35 S   O2Z  _O31    30     1.26411   115.23768   -50.41619
   37    35 S   O2Z  _O32    31     1.26329   115.09788   130.46914
   38    33 S   CM   _C13    38     1.50726   109.46232   161.10243
   39    38 S   HC   _H17    39     1.08800   116.02411    40.24552
   40    33 S   CO4  _C15    71     1.51751   108.59650   -80.79928
   41    40 S   O    _O36    72     1.22549   125.16711   -68.22201
   42    38 S   CMA  _C12    40     1.35310   124.94857  -139.79979
   43    42 S   OM   _O38    41     1.25917   129.88132    -2.01577
   44    40 S   OS   _O37    73     1.36719   109.55080   110.71423
   45    42 S   NE   _N5_    42     1.38310   122.40912   178.08889
   46    45 S   H    _H16    43     1.01601   112.92318   179.92338
   47    44 S   CT   _C16    74     1.42998   115.29071  -179.49101
   48    47 S   HC   _H18    75     1.09327   108.10653  -179.57756
   49    47 S   HC   _H19    76     1.09421   110.26299    61.76263
   50    47 S   HC   _H20    77     1.09421   110.32328   -60.87614
   51    45 S   CT   _C11    44     1.45120   129.92441    -6.56653
   52    51 S   HC   _H14    45     1.09669   109.94654    48.40465
   53    51 S   HC   _H15    46     1.09723   108.02040   163.85573
   54    51 S   CT1  _C10    47     1.53358   111.11714   -75.03084
   55    54 S   HC   _H4_    48     1.09522   110.48809    55.43635
   56    54 S   C    _C9_    49     1.52841   110.51939   -67.06969
   57    56 S   O    _O35    50     1.23021   122.52105   -61.71521
   58    54 S   NT   _N6_    68     1.46759   110.34296   174.84649
   59    58 S   H    _H21    69     1.01919   109.39652   -61.44039
   60    58 S   H    _H22    70     1.01995   109.27092  -177.27638
   61    56 S   N    _N4_    51     1.38604   112.76481   118.79773
   62    61 S   H    _H13    52     1.01551   119.31379    -1.89010
   63    61 S   CT1  _C7_    53     1.46820   123.76670   177.50495
   64    63 S   HC   _H3_    54     1.09875   107.37429   -15.15760
   65    63 S   CO3  _C8_    55     1.54848   110.99880  -128.11312
   66    65 S   O2Z  _O34    56     1.26697   115.11997    39.93728
   67    65 S   O2Z  _O33    57     1.26332   116.92599  -140.42197
   68    63 S   CTF  _C5_    58     1.54800   111.40298   102.12579
   69    68 S   HC   _H9_    59     1.09796   108.25427   175.91639
   70    68 S   CT   _C4_    60     1.53274   111.72602   -67.05162
   71    70 S   HC   _H6_    61     1.09426   111.83427    66.32372
   72    70 S   HC   _H7_    62     1.09494   110.88281   -54.61570
   73    70 S   HC   _H8_    63     1.09547   110.51559  -173.85130
   74    68 S   CT   _C6_    64     1.53273   113.00901    57.05108
   75    74 S   HC   _H10    65     1.09439   111.68518   -64.78833
   76    74 S   HC   _H11    66     1.09553   110.42840   175.63915
   77    74 S   HC   _H12    67     1.09356   111.57685    56.25067
  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   8   5   4   3
  10   6   2   1   1   9   4   7   2   7   3   4   8   4   3   2
   1   1  10   5   4   9   6  10   4   3   1   1  10   4  14   7
   6   2   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    40    41    44    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    45    46    51    40    41    44  
   42    43    45    40  
   41    44    47    48    49    50    42  
   44    47  
   43    45    46    51    52    53    54  
   45    46    51  
   47    48    49    50  
   46    51    52    53    54    55    56    58  
   51    52    53    54  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    61    58    59    60  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    61    62    63    58    59    60  
   56    57    61    58    59    60  
   57    61    62    63    64    65    68    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    63    64    65    66    67    68    69    70    74  
   63    64    65    68  
   64    65    66    67    68    69    70    71    72    73    74    75    76    77  
   65    66    67    68    69    70    74  
   66    67    68    69    70    74  
   67    68  
   68  
   69    70    71    72    73    74    75    76    77  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.2500   0.1700  -1.111500   2.1120   1.8750   0.051222218  -2.220205820
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    45   415.000  1.382
   45    46   434.000  1.010
   45    51   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    58   305.000  1.457
   56    57   570.000  1.229
   56    61   490.000  1.335
   61    62   434.000  1.010
   61    63   337.000  1.449
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    68   268.000  1.529
   65    66   656.000  1.250
   65    67   656.000  1.250
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   58    59   434.000  1.010
   58    60   434.000  1.010
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
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  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    81.00000  111.40000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    45    75.00000  114.40000
   42    38    39    40.00000  120.50800
   42    45    46    50.00000  121.48000
   42    45    51    50.00000  121.00000
   45    42    43   105.00000  113.92000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    80.00000  111.61500
   51    45    46    35.00000  112.50000
   51    54    55    37.50000  110.70000
   51    54    56    63.00000  111.10000
   51    54    58    80.00000  111.22000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    61    70.00000  116.60000
   54    58    59    50.00000  111.55300
   54    58    60    50.00000  111.55300
   56    54    55    35.00000  109.50000
   56    61    62    35.00000  119.80000
   56    61    63    50.00000  121.90000
   61    56    57    80.00000  122.90000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  110.10000
   61    63    68    80.00000  109.70000
   63    61    62    38.00000  118.40000
   63    65    66    70.00000  117.00000
   63    65    67    70.00000  117.00000
   63    68    69    37.50000  110.70000
   63    68    70    58.35000  112.70000
   63    68    74    58.35000  112.70000
   65    63    64    35.00000  109.50000
   67    65    66    80.00000  126.00000
   68    63    64    37.50000  110.70000
   68    63    65    63.00000  111.10000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   70    68    69    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   58    54    55    50.00000  109.55000
   58    54    56    75.00000  111.54000
   60    58    59    43.60000  106.40000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    44    47    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.40000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    45   7.00000 -1.0 2.0
   33    40    44    47   1.63150  1.0 1.0
   33    40    44    47   2.92000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.40000  1.0 3.0
   38    42    45    46   1.00000 -1.0 2.0
   38    42    45    51  -0.54700  1.0 1.0
   38    42    45    51   1.23000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    45   7.00000 -1.0 2.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    53   0.00000  1.0 1.0
   42    45    51    54   0.25450  1.0 1.0
   42    45    51    54  -0.61700 -1.0 2.0
   42    45    51    54  -0.23550  1.0 3.0
   43    42    45    46   1.00000 -1.0 2.0
   43    42    45    51   1.00000 -1.0 2.0
   45    51    54    55   0.22950  1.0 3.0
   45    51    54    56  -2.10200  1.0 1.0
   45    51    54    56  -0.31600 -1.0 2.0
   45    51    54    56   0.13050  1.0 3.0
   45    51    54    58   4.29400  1.0 1.0
   45    51    54    58   0.12050 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   46    45    51    54   0.00000  1.0 1.0
   51    54    56    57   0.00000  1.0 1.0
   51    54    56    61   0.93250  1.0 1.0
   51    54    56    61   0.04450 -1.0 2.0
   51    54    56    61   0.17550  1.0 3.0
   51    54    58    59  -0.05950  1.0 1.0
   51    54    58    59   0.08850 -1.0 2.0
   51    54    58    59   0.11750  1.0 3.0
   51    54    58    60  -0.05950  1.0 1.0
   51    54    58    60   0.08850 -1.0 2.0
   51    54    58    60   0.11750  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56  -0.03800  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56  -0.03800  1.0 3.0
   53    51    54    58   0.15000  1.0 3.0
   54    56    61    62   2.45000 -1.0 2.0
   54    56    61    63   1.15000  1.0 1.0
   54    56    61    63   3.04450 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    61   0.00000  1.0 1.0
   55    54    58    59   0.20000  1.0 3.0
   55    54    58    60   0.20000  1.0 3.0
   56    54    58    59   0.21900  1.0 1.0
   56    54    58    59  -0.24900 -1.0 2.0
   56    54    58    59   0.15200  1.0 3.0
   56    54    58    60   0.21900  1.0 1.0
   56    54    58    60  -0.24900 -1.0 2.0
   56    54    58    60   0.15200  1.0 3.0
   56    61    63    64   0.00000  1.0 1.0
   56    61    63    65  -0.29800  1.0 1.0
   56    61    63    65   0.13950 -1.0 2.0
   56    61    63    65  -2.45650  1.0 3.0
   56    61    63    68   0.25950  1.0 1.0
   56    61    63    68   0.43850 -1.0 2.0
   56    61    63    68   2.61650  1.0 3.0
   57    56    61    62   2.45000 -1.0 2.0
   57    56    61    63   3.04450 -1.0 2.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    68    69   0.23200  1.0 3.0
   61    63    68    70   0.26400  1.0 1.0
   61    63    68    70   0.16150 -1.0 2.0
   61    63    68    70   0.25850  1.0 3.0
   61    63    68    74   0.26400  1.0 1.0
   61    63    68    74   0.16150 -1.0 2.0
   61    63    68    74   0.25850  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.00000  1.0 1.0
   63    68    70    71   0.15000  1.0 3.0
   63    68    70    72   0.15000  1.0 3.0
   63    68    70    73   0.15000  1.0 3.0
   63    68    74    75   0.15000  1.0 3.0
   63    68    74    76   0.15000  1.0 3.0
   63    68    74    77   0.15000  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    74   0.15000  1.0 3.0
   65    63    68    69  -0.03800  1.0 3.0
   65    63    68    70  -0.45800  1.0 1.0
   65    63    68    70   0.20550 -1.0 2.0
   65    63    68    74  -0.45800  1.0 1.0
   65    63    68    74   0.20550 -1.0 2.0
   68    63    65    66   0.00000  1.0 1.0
   68    63    65    67   0.00000  1.0 1.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    77   0.15000  1.0 3.0
   74    68    70    71   0.15000  1.0 3.0
   74    68    70    72   0.15000  1.0 3.0
   74    68    70    73   0.15000  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    61   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    49   0.08050  1.0 3.0
   40    44    47    50   0.08050  1.0 3.0
   41    40    44    47   3.00000 -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
   33    39    38    42  15.00000 -1.0 2.0
   45    43    42    38  15.00000 -1.0 2.0
   46    42    45    51   1.00000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   62    56    61    63   1.00000 -1.0 2.0
   66    63    65    67  10.50000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
END
