* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    136    205     399
    1     0 S   NP   _N1_     1    28.99410    96.40665   -26.38614
    2     1 S   H    _HN1     2     1.02780   122.86335   -89.25722
    3     1 S   H    _H1_     3     1.02957    69.47687     9.86761
    4     1 S   H    _H2_     4     1.02821    37.69884  -165.61341
    5     1 S   CT   _CA1     5     1.50152   122.00611   111.59985
    6     5 S   HC   _HA1     6     1.09578   105.15260    99.64058
    7     5 S   CO3  _C1_     7     1.53785   112.51772   -20.40786
    8     7 S   O2Z  _O11     8     1.26365   115.01761   -40.03639
    9     7 S   O2Z  _O12     9     1.26251   114.95090   138.96301
   10     5 S   CT   _CB1    10     1.53064   107.34720  -142.49701
   11    10 S   HC   HB11    11     1.09830   109.20311   -50.29533
   12    10 S   HC   HB12    12     1.09815   110.45997    66.24200
   13    10 S   CT   _CG1    13     1.52979   112.73300  -171.37846
   14    13 S   HC   HG11    14     1.09587   110.51566   -67.12247
   15    13 S   HC   HG12    15     1.09670   109.89024    52.13096
   16    13 S   C    _CD1    16     1.51799   112.28733   172.36591
   17    16 S   O    _OE1    17     1.22715   123.33078     2.34652
   18    16 S   N    _N2_    18     1.38666   111.65892  -177.13119
   19    18 S   H    _HN2    19     1.01570   118.94861     1.65233
   20    18 S   CT1  _CA2    20     1.46103   123.34823   177.77068
   21    20 S   HC   _HA2    21     1.09610   109.30199     4.89821
   22    20 S   C    _C2_    22     1.53598   108.95553  -110.36894
   23    22 S   O    _O2_    23     1.23083   122.19990  -148.94199
   24    20 S   CT   _CB2    32     1.53269   111.58126   127.24579
   25    24 S   HC   HB21    33     1.09649   109.76704    60.50932
   26    24 S   HC   HB22    34     1.09573   110.99485   177.99260
   27    22 S   N    _N3_    24     1.38305   113.85220    38.56048
   28    27 S   H    _HN3    25     1.01573   119.59942    -3.26219
   29    24 S   S    _SG2    35     1.82731   114.37880   -59.49074
   30    27 S   CT   _CA3    26     1.45284   123.19194   177.08375
   31    30 S   HC   HA31    27     1.09550   107.51216   -64.40636
   32    30 S   HC   HA32    28     1.09557   107.97793    52.02314
   33    29 S   CT   _C17    36     1.82261    99.69516   -65.23963
   34    33 S   HC   _H16    37     1.09306   110.34850   -39.87068
   35    33 S   HC   _H17    38     1.09410   107.54431    76.09441
   36    30 S   CO3  _C3_    29     1.52953   114.10492   174.02073
   37    36 S   O2Z  _O31    30     1.26371   116.07593    -0.71737
   38    36 S   O2Z  _O32    31     1.26428   114.40553   179.33707
   39    33 S   CM   _C16    39     1.50517   110.66132  -161.99758
   40    39 S   CMA  _C15    40     1.34988   126.09930  -114.40631
   41    40 S   OM   _O34    41     1.26331   127.81879    -0.68842
   42    40 S   OS   _O33    42     1.41081   110.47979   179.13679
   43    42 S   CT   _C13    43     1.44022   108.54054    -2.68424
   44    43 S   HC   _H6_    44     1.09529   105.11940   124.39705
   45    43 S   CT   _C14    45     1.55061   107.20302  -119.85510
   46    45 S   HC   _H14    46     1.09831   108.83075    57.76263
   47    45 S   HC   _H15    47     1.09845   109.23346   -55.65868
   48    39 S   CT   _C12    61     1.50424   121.65203    65.74815
   49    48 S   HC   _H5_    62     1.09481   108.63555   -59.97453
   50    45 S   CM   _C5_    48     1.51750   114.40868  -178.40787
   51    50 S   CM   _C6_    49     1.34930   119.73155    60.64747
   52    51 S   HC   _H10    50     1.08981   118.07275     7.20315
   53    50 S   CT   _C4_    71     1.50361   114.93049  -114.52797
   54    53 S   HC   _H7_    72     1.09556   109.72539   -56.99380
   55    53 S   HC   _H8_    73     1.09177   113.45263  -176.05861
   56    53 S   HC   _H9_    74     1.09376   110.81425    62.38791
   57    51 S   CT   _C7_    51     1.50920   126.95597  -160.64194
   58    57 S   HC   _H11    52     1.09702   109.22058  -137.74266
   59    57 S   HC   _H12    53     1.09405   112.77373   -21.57045
   60    57 S   CT   _C8_    54     1.55468   110.75376   101.91878
   61    60 S   HC   _H3_    55     1.09775   108.86690    74.52163
   62    60 S   CM   _C9_    56     1.52810   111.62192   -46.92878
   63    60 S   OH   _O36    69     1.42471   110.01655  -169.08720
   64    63 S   HO   _H22    70     0.97225   107.46020   -56.22584
   65    62 S   CM   _C10    57     1.35191   117.90478    93.18047
   66    65 S   HC   _H13    58     1.09072   117.22715     7.46453
   67    62 S   CT   _C18    65     1.50466   116.15709   -78.06143
   68    67 S   HC   _H19    66     1.09463   109.85342   -82.74430
   69    67 S   HC   _H20    67     1.09156   113.40369   156.03539
   70    67 S   HC   _H21    68     1.09452   110.97888    36.57732
   71    65 S   CT   _C11    59     1.51018   129.53778  -162.29940
   72    71 S   HC   _H4_    60     1.09721   108.34138  -161.95741
   73    71 S   OH   _O35    63     1.42482   109.92907   -45.88017
   74    73 S   HO   _H18    64     0.97237   107.57745   -53.47573
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5   4   9
   4  10  12   5   4   2   1   1   9   5   4  11   5  11   3   1
   9   4   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    71    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    65    71    72    48    49    73  
   41    42    43    44    45    71    48    49  
   42    43    48  
   43    44    45    46    47    50    71    48    49  
   44    45    46    47    50    51    65    71    72    48    49    73    53  
   45    46    47    50    71    48    49  
   46    47    50    51    52    57    71    48    49    53    54    55    56  
   47    50    51    48    53  
   50    51    48    53  
   49    73    74    50    62    65    66    71    72  
   73    65    71    72  
   51    52    57    58    59    60    53    54    55    56  
   52    57    58    59    60    61    62    63    53    54    55    56  
   57    58    59    60    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    65    67    63    64  
   59    60    61    62    63  
   60    61    62    63  
   61    62    65    66    71    67    68    69    70    63    64  
   62    65    67    63    64  
   65    66    71    72    73    67    68    69    70    63    64  
   64    65    67  
    0  
   66    71    72    73    74    67    68    69    70  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   320.000  1.410
   62    65   549.000  1.340
   62    67   317.000  1.510
   65    66   340.000  1.080
   65    71   317.000  1.510
   71    72   340.000  1.090
   71    48   268.000  1.529
   71    73   320.000  1.410
   48    49   340.000  1.090
   73    74   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    71    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    70.00000  112.02700
   43    48    71    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    70.00000  124.00000
   45    50    53    65.00000  117.92700
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    70.00000  112.02700
   57    51    52    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    65    70.00000  124.00000
   60    62    67    65.00000  117.92700
   60    63    64    55.00000  108.50000
   62    60    61    35.00000  109.50000
   62    65    66    35.00000  120.00000
   62    65    71    70.00000  124.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   65    71    72    35.00000  109.50000
   65    71    48    70.00000  112.02700
   65    71    73    90.00000  110.39200
   71    65    66    35.00000  117.00000
   71    48    49    37.50000  110.70000
   71    73    74    55.00000  108.50000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    71    72    37.50000  110.70000
   73    71    72    35.00000  109.50000
   73    71    48    50.00000  109.50000
   67    62    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    90.00000  110.39200
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    71   0.46850  1.0 1.0
   33    39    48    71   0.08550 -1.0 2.0
   33    39    48    71   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    71   0.09850  1.0 1.0
   40    39    48    71   0.15250 -1.0 2.0
   40    39    48    71  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.61850  1.0 1.0
   42    43    45    50  -0.22750 -1.0 2.0
   42    43    45    50   0.15300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    71   0.62750  1.0 1.0
   42    43    48    71  -0.30950 -1.0 2.0
   42    43    48    71   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.09850  1.0 1.0
   43    45    50    51   0.15250 -1.0 2.0
   43    45    50    51  -0.50650  1.0 3.0
   43    45    50    53   0.46850  1.0 1.0
   43    45    50    53   0.08550 -1.0 2.0
   43    45    50    53   0.09800  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    71   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    71   0.56750  1.0 1.0
   45    43    48    71  -0.07550 -1.0 2.0
   45    43    48    71   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   7.00000 -1.0 2.0
   45    50    51    57   7.00000 -1.0 2.0
   45    50    53    54   0.34800  1.0 3.0
   45    50    53    55   0.34800  1.0 3.0
   45    50    53    56   0.34800  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    53   0.34800  1.0 3.0
   47    45    50    51   0.00000  1.0 1.0
   47    45    50    53   0.34800  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.09850  1.0 1.0
   50    51    57    60   0.15250 -1.0 2.0
   50    51    57    60  -0.50650  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.31000  1.0 1.0
   51    57    60    62   0.14700 -1.0 2.0
   51    57    60    62   0.07550  1.0 3.0
   51    57    60    63   1.05650  1.0 1.0
   51    57    60    63   0.15600 -1.0 2.0
   51    57    60    63   0.53150  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   57    60    62    65   0.09850  1.0 1.0
   57    60    62    65   0.15250 -1.0 2.0
   57    60    62    65  -0.50650  1.0 3.0
   57    60    62    67   0.46850  1.0 1.0
   57    60    62    67   0.08550 -1.0 2.0
   57    60    62    67   0.09800  1.0 3.0
   57    60    63    64  -0.11600  1.0 1.0
   57    60    63    64  -0.09450 -1.0 2.0
   57    60    63    64   0.21250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.23400  1.0 3.0
   60    62    65    66   7.00000 -1.0 2.0
   60    62    65    71   7.00000 -1.0 2.0
   60    62    67    68   0.34800  1.0 3.0
   60    62    67    69   0.34800  1.0 3.0
   60    62    67    70   0.34800  1.0 3.0
   61    60    62    65   0.00000  1.0 1.0
   61    60    62    67   0.34800  1.0 3.0
   61    60    63    64   0.19450  1.0 3.0
   62    60    63    64  -0.07800  1.0 1.0
   62    60    63    64  -0.21500 -1.0 2.0
   62    60    63    64  -0.03150  1.0 3.0
   62    65    71    72   0.00000  1.0 1.0
   62    65    71    48   0.09850  1.0 1.0
   62    65    71    48   0.15250 -1.0 2.0
   62    65    71    48  -0.50650  1.0 3.0
   62    65    71    73   0.67800  1.0 1.0
   62    65    71    73   0.47050 -1.0 2.0
   62    65    71    73  -0.62500  1.0 3.0
   65    62    67    68   0.00000  1.0 1.0
   65    62    67    69   0.00000  1.0 1.0
   65    62    67    70   0.00000  1.0 1.0
   65    71    48    39   0.31000  1.0 1.0
   65    71    48    39   0.14700 -1.0 2.0
   65    71    48    39   0.07550  1.0 3.0
   65    71    48    43   0.34400  1.0 1.0
   65    71    48    43   0.09450 -1.0 2.0
   65    71    48    43   0.11100  1.0 3.0
   65    71    48    49   0.15000  1.0 3.0
   65    71    73    74  -0.07800  1.0 1.0
   65    71    73    74  -0.21500 -1.0 2.0
   65    71    73    74  -0.03150  1.0 3.0
   66    65    71    72   0.33100  1.0 3.0
   66    65    71    48   0.00000  1.0 1.0
   66    65    71    73   0.00000  1.0 1.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    43   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71    73    74   0.19450  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.34400  1.0 1.0
   48    43    45    50   0.09450 -1.0 2.0
   48    43    45    50   0.11100  1.0 3.0
   48    71    73    74  -0.11600  1.0 1.0
   48    71    73    74  -0.09450 -1.0 2.0
   48    71    73    74   0.21250  1.0 3.0
   73    71    48    39   1.05650  1.0 1.0
   73    71    48    39   0.15600 -1.0 2.0
   73    71    48    39   0.53150  1.0 3.0
   73    71    48    43   0.86500  1.0 1.0
   73    71    48    43  -0.17500 -1.0 2.0
   73    71    48    43   0.20800  1.0 3.0
   73    71    48    49   0.23400  1.0 3.0
   67    62    65    66   7.00000 -1.0 2.0
   67    62    65    71   7.00000 -1.0 2.0
   63    60    62    65   0.67800  1.0 1.0
   63    60    62    65   0.47050 -1.0 2.0
   63    60    62    65  -0.62500  1.0 3.0
   63    60    62    67   0.18000  1.0 1.0
   63    60    62    67   0.16450 -1.0 2.0
   63    60    62    67   0.04450  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   60    67    62    65   1.10000 -1.0 2.0
   71    66    65    62   1.10000 -1.0 2.0
END
