* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    149    239     447
    1     0 S   NP   _N1_     1    29.18001    94.85918   -18.90186
    2     1 S   H    _HN1     2     1.02838    38.21585   140.17796
    3     1 S   H    _H1_     3     1.02778    74.09119   -68.42498
    4     1 S   H    _H2_     4     1.02962   101.76482    37.50094
    5     1 S   CT   _CA1     5     1.50095   142.15863  -174.36441
    6     5 S   HC   _HA1     6     1.09565   105.30857    31.06126
    7     5 S   CO3  _C1_     7     1.53908   112.28041   -89.32710
    8     7 S   O2Z  _O11     8     1.26361   115.02386   -45.15363
    9     7 S   O2Z  _O12     9     1.26235   114.93971   134.09585
   10     5 S   CT   _CB1    10     1.53106   107.44546   149.10817
   11    10 S   HC   HB11    11     1.09814   109.68190   -49.44453
   12    10 S   HC   HB12    12     1.09823   110.24173    67.16065
   13    10 S   CT   _CG1    13     1.52990   112.54607  -170.52103
   14    13 S   HC   HG11    14     1.09585   110.25837   -56.48861
   15    13 S   HC   HG12    15     1.09606   110.24995    62.63675
   16    13 S   C    _CD1    16     1.51807   112.10911  -176.91618
   17    16 S   O    _OE1    17     1.22705   123.22618   -14.89417
   18    16 S   N    _N2_    18     1.38513   111.55757   165.24764
   19    18 S   H    _HN2    19     1.01596   118.87534     2.94437
   20    18 S   CT1  _CA2    20     1.46240   123.71868  -174.22630
   21    20 S   HC   _HA2    21     1.09721   109.44679   -19.27179
   22    20 S   C    _C2_    22     1.53377   108.00786  -135.14835
   23    22 S   O    _O2_    23     1.22991   122.37678  -144.44331
   24    20 S   CT   _CB2    32     1.53726   110.83248   103.07066
   25    24 S   HC   HB21    33     1.09210   108.99891    52.08141
   26    24 S   HC   HB22    34     1.09503   110.53207   170.30387
   27    22 S   N    _N3_    24     1.38545   113.22224    42.84599
   28    27 S   H    _HN3    25     1.01540   118.90671    -0.48457
   29    24 S   S    _SG2    35     1.82933   111.41966   -71.16001
   30    27 S   CT   _CA3    26     1.45447   123.39869   175.15754
   31    30 S   HC   HA31    27     1.09527   109.17350    25.45123
   32    30 S   HC   HA32    28     1.09494   107.13234   142.44675
   33    29 S   CT   _C14    36     1.90563   104.04335   147.90804
   34    30 S   CO3  _C3_    29     1.52932   113.18115   -97.98210
   35    34 S   O2Z  _O31    30     1.26397   115.43842   -43.62937
   36    34 S   O2Z  _O32    31     1.26360   114.96046   137.32138
   37    33 S   CT   _C15    37     1.53375   109.57952    43.79959
   38    37 S   HC   _H18    38     1.09325   113.82350  -170.65368
   39    37 S   HC   _H19    39     1.09063   115.25648   -47.42963
   40    33 S   CT   _C5_    53     1.59959   112.61505   -88.39929
   41    37 S   OS   _O33    40     1.43664   105.49312    72.73685
   42    40 S   CT   _C6_    54     1.54991   111.18300    72.76470
   43    42 S   HC   _H8_    55     1.09667   109.96815    50.00011
   44    42 S   HC   _H9_    56     1.09345   110.47865   -67.55038
   45    40 S   CT   _C4_    72     1.55775   108.82176   -46.09986
   46    45 S   HC   _H5_    73     1.09406   112.38256   -49.06139
   47    45 S   HC   _H6_    74     1.08547   113.23647  -170.29972
   48    45 S   HC   _H7_    75     1.09449   111.71511    71.47739
   49    41 S   CO4  _C16    41     1.36811   109.28530    24.51186
   50    49 S   O    _O34    42     1.22097   124.62896   176.76124
   51    42 S   CT   _C7_    57     1.52561   113.98300   171.55301
   52    51 S   HC   _H10    58     1.09463   110.76423    64.94571
   53    51 S   HC   _H11    59     1.09679   108.84721  -178.82131
   54    33 S   CT   _C13    43     1.54951   104.55333   149.36917
   55    54 S   HC   _H4_    44     1.09613   111.90481    38.61513
   56    51 S   CT   _C8_    60     1.52094   111.28607   -58.77645
   57    56 S   HC   _H12    61     1.09757   109.10994  -178.99167
   58    56 S   HC   _H13    62     1.09876   107.98986   -64.19235
   59    54 S   CT   _C12    45     1.53248   116.01933   165.28065
   60    59 S   HC   _H16    46     1.09764   109.10238  -166.96973
   61    59 S   HC   _H17    47     1.09886   110.45480    77.95293
   62    74 S   CT   _C9_    63     1.57787   114.00857   163.77328
   63    59 S   CT   _C11    48     1.52195   114.22409   -44.40014
   64    63 S   HC   _H14    49     1.09434   107.52061   174.43063
   65    63 S   HC   _H15    50     1.09465   109.77236   -70.63186
   66    62 S   CT   _C17    64     1.54193   115.30424    52.23160
   67    66 S   HC   _H20    65     1.09385   112.04315   -47.51525
   68    66 S   HC   _H21    66     1.09752   110.53564  -166.39844
   69    66 S   HC   _H22    67     1.08995   113.33027    75.72065
   70    62 S   CT   _C18    68     1.55485   109.15772   -66.73215
   71    70 S   HC   _H23    69     1.09440   112.01109    69.24132
   72    70 S   HC   _H24    70     1.09579   111.46254   -51.82344
   73    70 S   HC   _H25    71     1.09676   111.01175  -171.25268
   74    63 S   CT   _C10    51     1.53883   110.85721    52.84748
   75    74 S   HC   _H3_    52     1.09830   105.57160    51.89142
  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  13   5   4   3
  24   2   1   1  12   5   4  24   5  17   7   6   9   3   2   1
   7   3   9   5   4   8   4  14   5   4   8   5   4  13   6   3
   2   9   4   3   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    49    54    55    59    74    40    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    49    50    54    55    59    60    61    63    74    75    40    42    43    44    51    62    45    46    47    48  
   35    36  
   36  
    0  
   38    39    41    49    50    54    55    59    74    40    42    45  
   39    41    49    54    40  
   41    49    54    40  
   42    43    44    51    52    53    56    62    66    70    45    46    47    48    41    49    54    55    59    63    64    65    74    75  
   49    50    54    55    59  
   43    44    51    52    53    56    57    58    62    45    46    47    48    54    63    74    75  
   44    51    52    53    56    45    74  
   51    52    53    56    45    74  
   46    47    48    51    54    62    63    74    75  
   47    48    74  
   48    74  
   74  
   50    54    55    59    60    61    63  
   54    55    59  
   52    53    56    57    58    62    66    70    74  
   53    56    57    58    62  
   56    57    58    62  
   55    59    60    61    63    64    65    74  
   59    60    61    63  
   57    58    62    66    67    68    69    70    71    72    73    63    74    75  
   58    62    66    70    74  
   62    66    70    74  
   60    61    63    64    65    74    75    62  
   61    63    64    65    74  
   63    64    65    74  
   66    67    68    69    70    71    72    73    63    64    65    74    75  
   64    65    74    75    66    70  
   65    74    75  
   74    75  
   67    68    69    70    71    72    73    74    75  
   68    69    70    74  
   69    70    74  
   70    74  
   71    72    73    74    75  
   72    73    74  
   73    74  
   74  
   75  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   320.000  1.410
   41    49   214.000  1.327
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    55   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    74   268.000  1.529
   74    75   340.000  1.090
   74    40   268.000  1.529
   74    62   268.000  1.529
   40    42   268.000  1.529
   40    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    66   268.000  1.529
   62    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    50.00000  109.50000
   33    54    49    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    59    58.35000  112.70000
   33    40    74    58.35000  112.70000
   33    40    42    58.35000  112.70000
   33    40    45    58.35000  112.70000
   37    41    49    83.00000  116.90000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    49    50    83.00000  123.40000
   41    49    54    81.00000  111.40000
   49    54    55    35.00000  109.50000
   49    54    59    63.00000  111.10000
   54    33    37    58.35000  112.70000
   54    49    50    80.00000  120.40000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    63    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    74    75    37.50000  110.70000
   63    74    40    58.35000  112.70000
   63    74    62    58.35000  112.70000
   65    63    64    33.00000  107.80000
   74    63    64    37.50000  110.70000
   74    63    65    37.50000  110.70000
   74    40    42    58.35000  112.70000
   74    40    45    58.35000  112.70000
   74    62    56    58.35000  112.70000
   74    62    66    58.35000  112.70000
   74    62    70    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    51    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   42    51    52    37.50000  110.70000
   42    51    53    37.50000  110.70000
   42    51    56    58.35000  112.70000
   44    42    43    33.00000  107.80000
   51    42    43    37.50000  110.70000
   51    42    44    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    66    58.35000  112.70000
   56    62    70    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    74    75    37.50000  110.70000
   62    74    40    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    40    42    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59   0.44750  1.0 1.0
   29    33    54    59  -0.17800 -1.0 2.0
   29    33    54    59   0.20200  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    37   -41    49  -0.25900  1.0 1.0
   33    37   -41    49  -0.47000 -1.0 2.0
   33    37   -41    49   0.11750  1.0 3.0
   33    54    59    60   0.15000  1.0 3.0
   33    54    59    61   0.15000  1.0 3.0
   33    54    59    63   0.56750  1.0 1.0
   33    54    59    63  -0.07550 -1.0 2.0
   33    54    59    63   0.20000  1.0 3.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    44   0.15000  1.0 3.0
   33    40    42    51   0.56750  1.0 1.0
   33    40    42    51  -0.07550 -1.0 2.0
   33    40    42    51   0.20000  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   37    33   -54    49  -0.95700  1.0 1.0
   37    33   -54    49  -0.18200 -1.0 2.0
   37    33   -54    49   0.29450  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    59   0.56750  1.0 1.0
   37    33    54    59  -0.07550 -1.0 2.0
   37    33    54    59   0.20000  1.0 3.0
   37    33    40    74   0.56750  1.0 1.0
   37    33    40    74  -0.07550 -1.0 2.0
   37    33    40    74   0.20000  1.0 3.0
   37    33    40    42   0.56750  1.0 1.0
   37    33    40    42  -0.07550 -1.0 2.0
   37    33    40    42   0.20000  1.0 3.0
   37    33    40    45   0.56750  1.0 1.0
   37    33    40    45  -0.07550 -1.0 2.0
   37    33    40    45   0.20000  1.0 3.0
   37    41    49    50   3.00000 -1.0 2.0
   37    41   -49    54   1.63150  1.0 1.0
   37    41   -49    54   2.92000 -1.0 2.0
   38    37    41    49   0.08050  1.0 3.0
   39    37    41    49   0.08050  1.0 3.0
   41    49   -54    33   0.36750  1.0 3.0
   41    49    54    55   0.00000  1.0 1.0
   41    49    54    59   0.36750  1.0 3.0
   49    54    59    60  -0.11250  1.0 3.0
   49    54    59    61  -0.11250  1.0 3.0
   49    54    59    63  -0.95700  1.0 1.0
   49    54    59    63  -0.18200 -1.0 2.0
   49    54    59    63   0.29450  1.0 3.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    59   0.30150 -1.0 2.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    41   0.62750  1.0 1.0
   54    33   -37    41  -0.30950 -1.0 2.0
   54    33   -37    41   0.27300  1.0 3.0
   54    33    40    74   0.56750  1.0 1.0
   54    33    40    74  -0.07550 -1.0 2.0
   54    33    40    74   0.20000  1.0 3.0
   54    33    40    42   0.56750  1.0 1.0
   54    33    40    42  -0.07550 -1.0 2.0
   54    33    40    42   0.20000  1.0 3.0
   54    33    40    45   0.56750  1.0 1.0
   54    33    40    45  -0.07550 -1.0 2.0
   54    33    40    45   0.20000  1.0 3.0
   54    59    63    64   0.15000  1.0 3.0
   54    59    63    65   0.15000  1.0 3.0
   54    59   -63    74   0.56750  1.0 1.0
   54    59   -63    74  -0.07550 -1.0 2.0
   54    59   -63    74   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    63   0.15000  1.0 3.0
   59    63    74    75   0.15000  1.0 3.0
   59    63    74    40   0.56750  1.0 1.0
   59    63    74    40  -0.07550 -1.0 2.0
   59    63    74    40   0.20000  1.0 3.0
   59    63    74    62   0.56750  1.0 1.0
   59    63    74    62  -0.07550 -1.0 2.0
   59    63    74    62   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    74   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    74   0.15000  1.0 3.0
   63    74   -40    33   0.56750  1.0 1.0
   63    74   -40    33  -0.07550 -1.0 2.0
   63    74   -40    33   0.20000  1.0 3.0
   63    74    40    42   0.56750  1.0 1.0
   63    74    40    42  -0.07550 -1.0 2.0
   63    74    40    42   0.20000  1.0 3.0
   63    74    40    45   0.56750  1.0 1.0
   63    74    40    45  -0.07550 -1.0 2.0
   63    74    40    45   0.20000  1.0 3.0
   63    74    62    56   0.56750  1.0 1.0
   63    74    62    56  -0.07550 -1.0 2.0
   63    74    62    56   0.20000  1.0 3.0
   63    74    62    66   0.56750  1.0 1.0
   63    74    62    66  -0.07550 -1.0 2.0
   63    74    62    66   0.20000  1.0 3.0
   63    74    62    70   0.56750  1.0 1.0
   63    74    62    70  -0.07550 -1.0 2.0
   63    74    62    70   0.20000  1.0 3.0
   64    63    74    75   0.15000  1.0 3.0
   64    63    74    40   0.15000  1.0 3.0
   64    63    74    62   0.15000  1.0 3.0
   65    63    74    75   0.15000  1.0 3.0
   65    63    74    40   0.15000  1.0 3.0
   65    63    74    62   0.15000  1.0 3.0
   74    40    42    43   0.15000  1.0 3.0
   74    40    42    44   0.15000  1.0 3.0
   74    40    42    51   0.56750  1.0 1.0
   74    40    42    51  -0.07550 -1.0 2.0
   74    40    42    51   0.20000  1.0 3.0
   74    40    45    46   0.15000  1.0 3.0
   74    40    45    47   0.15000  1.0 3.0
   74    40    45    48   0.15000  1.0 3.0
   74    62    66    67   0.15000  1.0 3.0
   74    62    66    68   0.15000  1.0 3.0
   74    62    66    69   0.15000  1.0 3.0
   74    62    70    71   0.15000  1.0 3.0
   74    62    70    72   0.15000  1.0 3.0
   74    62    70    73   0.15000  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    42   0.15000  1.0 3.0
   75    74    40    45   0.15000  1.0 3.0
   75    74    62    56   0.15000  1.0 3.0
   75    74    62    66   0.15000  1.0 3.0
   75    74    62    70   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.62750  1.0 1.0
   40    33    37    41  -0.30950 -1.0 2.0
   40    33    37    41   0.27300  1.0 3.0
   40    33    54    49  -0.95700  1.0 1.0
   40    33    54    49  -0.18200 -1.0 2.0
   40    33    54    49   0.29450  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33   -54    59   0.56750  1.0 1.0
   40    33   -54    59  -0.07550 -1.0 2.0
   40    33   -54    59   0.20000  1.0 3.0
   40    74    62    56   0.56750  1.0 1.0
   40    74    62    56  -0.07550 -1.0 2.0
   40    74    62    56   0.20000  1.0 3.0
   40    74    62    66   0.56750  1.0 1.0
   40    74    62    66  -0.07550 -1.0 2.0
   40    74    62    66   0.20000  1.0 3.0
   40    74    62    70   0.56750  1.0 1.0
   40    74    62    70  -0.07550 -1.0 2.0
   40    74    62    70   0.20000  1.0 3.0
   40    42    51    52   0.15000  1.0 3.0
   40    42    51    53   0.15000  1.0 3.0
   40    42   -51    56   0.56750  1.0 1.0
   40    42   -51    56  -0.07550 -1.0 2.0
   40    42   -51    56   0.20000  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    48   0.15000  1.0 3.0
   42    51    56    57   0.15000  1.0 3.0
   42    51    56    58   0.15000  1.0 3.0
   42    51    56    62   0.56750  1.0 1.0
   42    51    56    62  -0.07550 -1.0 2.0
   42    51    56    62   0.20000  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    53   0.15000  1.0 3.0
   43    42    51    56   0.15000  1.0 3.0
   44    42    51    52   0.15000  1.0 3.0
   44    42    51    53   0.15000  1.0 3.0
   44    42    51    56   0.15000  1.0 3.0
   51    56   -62    74   0.56750  1.0 1.0
   51    56   -62    74  -0.07550 -1.0 2.0
   51    56   -62    74   0.20000  1.0 3.0
   51    56    62    66   0.56750  1.0 1.0
   51    56    62    66  -0.07550 -1.0 2.0
   51    56    62    66   0.20000  1.0 3.0
   51    56    62    70   0.56750  1.0 1.0
   51    56    62    70  -0.07550 -1.0 2.0
   51    56    62    70   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    62   0.15000  1.0 3.0
   56    62    66    67   0.15000  1.0 3.0
   56    62    66    68   0.15000  1.0 3.0
   56    62    66    69   0.15000  1.0 3.0
   56    62    70    71   0.15000  1.0 3.0
   56    62    70    72   0.15000  1.0 3.0
   56    62    70    73   0.15000  1.0 3.0
   57    56    62    74   0.15000  1.0 3.0
   57    56    62    66   0.15000  1.0 3.0
   57    56    62    70   0.15000  1.0 3.0
   58    56    62    74   0.15000  1.0 3.0
   58    56    62    66   0.15000  1.0 3.0
   58    56    62    70   0.15000  1.0 3.0
   62    74    40    33   0.56750  1.0 1.0
   62    74    40    33  -0.07550 -1.0 2.0
   62    74    40    33   0.20000  1.0 3.0
   62    74   -40    42   0.56750  1.0 1.0
   62    74   -40    42  -0.07550 -1.0 2.0
   62    74   -40    42   0.20000  1.0 3.0
   62    74    40    45   0.56750  1.0 1.0
   62    74    40    45  -0.07550 -1.0 2.0
   62    74    40    45   0.20000  1.0 3.0
   66    62    70    71   0.15000  1.0 3.0
   66    62    70    72   0.15000  1.0 3.0
   66    62    70    73   0.15000  1.0 3.0
   70    62    66    67   0.15000  1.0 3.0
   70    62    66    68   0.15000  1.0 3.0
   70    62    66    69   0.15000  1.0 3.0
   45    40    42    43   0.15000  1.0 3.0
   45    40    42    44   0.15000  1.0 3.0
   45    40    42    51   0.56750  1.0 1.0
   45    40    42    51  -0.07550 -1.0 2.0
   45    40    42    51   0.20000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   41    54    49    50  10.50000 -1.0 2.0
END
