* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    147    233     444
    1     0 S   NP   _N1_     1    28.97878    96.19881   -21.17102
    2     1 S   H    _HN1     2     1.02776    92.93799   -89.35481
    3     1 S   H    _H1_     3     1.02942    77.75936    18.86836
    4     1 S   H    _H2_     4     1.02825    39.69542   155.75497
    5     1 S   CT   _CA1     5     1.50234   147.96279   127.76808
    6     5 S   HC   _HA1     6     1.09568   105.05711    78.12928
    7     5 S   CO3  _C1_     7     1.53877   112.42343   -41.78579
    8     7 S   O2Z  _O11     8     1.26461   115.01112   -36.07415
    9     7 S   O2Z  _O12     9     1.26245   114.98558   142.69381
   10     5 S   CT   _CB1    10     1.53096   107.33365  -163.87567
   11    10 S   HC   HB11    11     1.09828   109.37885   -46.00149
   12    10 S   HC   HB12    12     1.09818   110.37041    70.61261
   13    10 S   CT   _CG1    13     1.53048   112.83290  -166.94665
   14    13 S   HC   HG11    14     1.09456   110.51499   -64.56986
   15    13 S   HC   HG12    15     1.09666   109.89918    54.45563
   16    13 S   C    _CD1    16     1.51973   112.18803   174.36521
   17    16 S   O    _OE1    17     1.22764   123.16782    -2.22141
   18    16 S   N    _N2_    18     1.38714   111.90011   178.69914
   19    18 S   H    _HN2    19     1.01576   118.95951    -0.01978
   20    18 S   CT1  _CA2    20     1.46316   123.29175   176.46975
   21    20 S   HC   _HA2    21     1.09745   109.23581    -2.47804
   22    20 S   C    _C2_    22     1.53511   108.44466  -117.67517
   23    22 S   O    _O2_    23     1.23049   122.36665  -148.37783
   24    20 S   CT   _CB2    32     1.53383   112.06535   119.58096
   25    24 S   HC   HB21    33     1.09420   110.49456    59.46276
   26    24 S   HC   HB22    34     1.09556   110.15088   177.05157
   27    22 S   N    _N3_    24     1.38368   113.60410    39.13528
   28    27 S   H    _HN3    25     1.01613   119.50306    -3.57998
   29    24 S   S    _SG2    35     1.82718   111.46320   -64.69581
   30    27 S   CT   _CA3    26     1.45283   123.17907   176.99313
   31    30 S   HC   HA31    27     1.09551   107.53682   -63.70032
   32    30 S   HC   HA32    28     1.09557   107.94064    52.71520
   33    29 S   CT   _C12    36     1.84710   100.75276   131.82950
   34    33 S   HC   _H5_    37     1.09564   105.76154    50.42638
   35    30 S   CO3  _C3_    29     1.52945   114.11722   174.69533
   36    35 S   O2Z  _O31    30     1.26369   116.06534    -0.54393
   37    35 S   O2Z  _O32    31     1.26430   114.41105   179.51061
   38    33 S   CM   _C10    38     1.53227   108.64892   169.47155
   39    33 S   CT   _C13    54     1.53320   113.43705   -67.33919
   40    39 S   HC   _H18    55     1.09725   108.87308   167.83728
   41    39 S   HC   _H19    56     1.09520   111.30944    52.56618
   42    38 S   CT   _C9_    39     1.54741   114.59307    73.72656
   43    42 S   HC   _H4_    40     1.09825   103.97496   -62.80578
   44    38 S   CMA  _C11    75     1.35741   120.66269  -106.85673
   45    44 S   OM   _O33    76     1.26065   132.78948    -0.10468
   46    44 S   HC   _H17    77     1.08729   113.73111   179.44715
   47    42 S   CT   _C8_    41     1.55076   116.09400  -177.53955
   48    47 S   HC   _H15    42     1.09722   110.42920   -49.13124
   49    47 S   HC   _H16    43     1.09808   107.34275    66.53619
   50    47 S   CT   _C7_    44     1.55249   115.64369  -170.32689
   51    50 S   HC   _H3_    45     1.09966   107.24852    98.84900
   52    50 S   CT   _C17    46     1.53685   111.07835   -16.94148
   53    52 S   HC   _H7_    47     1.09531   111.39219   178.14713
   54    50 S   CT   _C5_    65     1.56024   110.78871  -145.41961
   55    54 S   HC   _H11    66     1.09752   109.06588    58.58235
   56    52 S   CT   _C16    48     1.54316   110.87011    59.01692
   57    56 S   HC   _H6_    49     1.09791   107.34138    76.98013
   58    52 S   OH   _O34    63     1.42693   110.69642   -63.75842
   59    58 S   HO   _H22    64     0.97136   107.94693   -64.39347
   60    54 S   CT   _C4_    67     1.53305   112.62014   178.01180
   61    60 S   HC   _H8_    68     1.09515   111.21665    54.05251
   62    60 S   HC   _H9_    69     1.09395   111.48245   -67.08536
   63    60 S   HC   _H10    70     1.09563   110.88335   174.16904
   64    54 S   CT   _C6_    71     1.53621   111.34504   -59.91573
   65    64 S   HC   _H12    72     1.09536   111.11238   -58.98544
   66    64 S   HC   _H13    73     1.09556   110.76182  -178.91610
   67    64 S   HC   _H14    74     1.09398   111.76544    61.86163
   68    42 S   CT   _C15    50     1.56120   112.46209    52.33628
   69    56 S   OH   _O35    61     1.42827   108.60630  -169.62407
   70    69 S   HO   _H23    62     0.97299   108.47060   -57.98736
   71    68 S   CT   _C14    51     1.55325   109.41959   -50.71908
   72    71 S   HC   _H20    52     1.09580   109.49150   -67.99258
   73    71 S   HC   _H21    53     1.09756   110.12960   175.23297
   74    68 S   CT   _C18    57     1.55462   109.96984    68.22266
   75    74 S   HC   _H24    58     1.09426   112.02318    66.96273
   76    74 S   HC   _H25    59     1.09400   112.60844   -53.59459
   77    74 S   HC   _H26    60     1.09641   110.64019  -173.70213
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  16  10   5   4  22   9   4   1   1  15   6
   5  19   8  14   7  11   8  13   6   3   1   7   3   2   1   3
   2   1   1   9   3   1   6   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    71    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    68    71    72    73    39    40    41    44    45    46  
   38    42    71    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    56    68    71    39    40    41    74    44    45    46  
   40    41    74    44    42    56    68    71    72    73  
   41    68    71    72    73  
   68    71    72    73  
   43    47    48    49    50    51    52    56    57    68    71    72    73    74    75    76    77    69    54    44    45    46  
   47    48    49    50    56    68    71    74    44  
   45    46    47    68  
   46  
    0  
   48    49    50    51    52    53    56    68    71    74    58    54    55    60    64  
   49    50    51    52    68    54  
   50    51    52    68    54  
   51    52    53    56    57    68    69    58    59    54    55    60    61    62    63    64    65    66    67  
   52    53    56    58    54    55    60    64  
   53    56    57    68    71    74    69    70    58    59    54    55    60    64  
   56    57    68    69    58    59    54  
   55    60    61    62    63    64    65    66    67    56    58  
   60    61    62    63    64    65    66    67  
   57    68    71    72    73    74    75    76    77    69    70    58    59  
   68    71    74    69    70    58  
   59    68    69  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   71    72    73    74    75    76    77    69    70  
   70    71    74  
    0  
   72    73    74    75    76    77  
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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    39   268.000  1.529
   38    42   317.000  1.510
   38    44   465.000  1.376
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    68   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    58   320.000  1.410
   56    57   340.000  1.090
   56    68   268.000  1.529
   56    69   320.000  1.410
   68    71   268.000  1.529
   68    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   69    70   553.000  0.945
   58    59   553.000  0.945
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   44    45   745.000  1.250
   44    46   335.000  1.111
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    39    75.00000  111.63000
   33    38    42    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    47    70.00000  112.02700
   38    42    68    70.00000  112.02700
   38    44    45    65.00000  137.10300
   38    44    46    45.00000  105.30000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    68    56    58.35000  112.70000
   42    68    71    58.35000  112.70000
   42    68    74    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    54    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    56    58.35000  112.70000
   50    52    58    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    60    58.35000  112.70000
   50    54    64    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    68    58.35000  112.70000
   52    56    69    50.00000  109.50000
   52    58    59    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    68    71    58.35000  112.70000
   56    68    74    58.35000  112.70000
   56    69    70    55.00000  108.50000
   68    42    43    37.50000  110.70000
   68    42    47    58.35000  112.70000
   68    56    57    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    39    58.35000  112.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    41    37.50000  110.70000
   73    71    72    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   41    39    40    33.00000  107.80000
   74    68    71    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
   69    56    57    35.00000  109.50000
   69    56    68    50.00000  109.50000
   58    52    53    35.00000  109.50000
   58    52    56    50.00000  109.50000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    67    37.50000  110.70000
   60    54    55    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    50.00000  124.16400
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    47   0.46850  1.0 1.0
   33    38    42    47   0.08550 -1.0 2.0
   33    38    42    47   0.09800  1.0 3.0
   33    38    42    68   0.46850  1.0 1.0
   33    38    42    68   0.08550 -1.0 2.0
   33    38    42    68   0.09800  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    71   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    71   0.34400  1.0 1.0
   38    33    39    71   0.09450 -1.0 2.0
   38    33    39    71   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    50   0.34400  1.0 1.0
   38    42    47    50   0.09450 -1.0 2.0
   38    42    47    50   0.11100  1.0 3.0
   38    42    68    56   0.34400  1.0 1.0
   38    42    68    56   0.09450 -1.0 2.0
   38    42    68    56   0.11100  1.0 3.0
   38    42   -68    71   0.34400  1.0 1.0
   38    42   -68    71   0.09450 -1.0 2.0
   38    42   -68    71   0.11100  1.0 3.0
   38    42    68    74   0.34400  1.0 1.0
   38    42    68    74   0.09450 -1.0 2.0
   38    42    68    74   0.11100  1.0 3.0
   42    38    44    45   7.00000 -1.0 2.0
   42    38    44    46   7.00000 -1.0 2.0
   42    47    50    51   0.15000  1.0 3.0
   42    47    50    52   0.56750  1.0 1.0
   42    47    50    52  -0.07550 -1.0 2.0
   42    47    50    52   0.20000  1.0 3.0
   42    47    50    54   0.56750  1.0 1.0
   42    47    50    54  -0.07550 -1.0 2.0
   42    47    50    54   0.20000  1.0 3.0
   42    68    71    72   0.15000  1.0 3.0
   42    68    71    73   0.15000  1.0 3.0
   42    68    71    39   0.56750  1.0 1.0
   42    68    71    39  -0.07550 -1.0 2.0
   42    68    71    39   0.20000  1.0 3.0
   42    68    74    75   0.15000  1.0 3.0
   42    68    74    76   0.15000  1.0 3.0
   42    68    74    77   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    42    68    56   0.15000  1.0 3.0
   43    42    68    71   0.15000  1.0 3.0
   43    42    68    74   0.15000  1.0 3.0
   47    42    68    56   0.56750  1.0 1.0
   47    42    68    56  -0.07550 -1.0 2.0
   47    42    68    56   0.20000  1.0 3.0
   47    42    68    71   0.56750  1.0 1.0
   47    42    68    71  -0.07550 -1.0 2.0
   47    42    68    71   0.20000  1.0 3.0
   47    42    68    74   0.56750  1.0 1.0
   47    42    68    74  -0.07550 -1.0 2.0
   47    42    68    74   0.20000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50   -52    56   0.56750  1.0 1.0
   47    50   -52    56  -0.07550 -1.0 2.0
   47    50   -52    56   0.20000  1.0 3.0
   47    50    52    58   0.86500  1.0 1.0
   47    50    52    58  -0.17500 -1.0 2.0
   47    50    52    58   0.20800  1.0 3.0
   47    50    54    55   0.15000  1.0 3.0
   47    50    54    60   0.56750  1.0 1.0
   47    50    54    60  -0.07550 -1.0 2.0
   47    50    54    60   0.20000  1.0 3.0
   47    50    54    64   0.56750  1.0 1.0
   47    50    54    64  -0.07550 -1.0 2.0
   47    50    54    64   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    54   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    54   0.15000  1.0 3.0
   50    52    56    57   0.15000  1.0 3.0
   50    52    56    68   0.56750  1.0 1.0
   50    52    56    68  -0.07550 -1.0 2.0
   50    52    56    68   0.20000  1.0 3.0
   50    52    56    69   0.86500  1.0 1.0
   50    52    56    69  -0.17500 -1.0 2.0
   50    52    56    69   0.20800  1.0 3.0
   50    52    58    59  -0.11600  1.0 1.0
   50    52    58    59  -0.09450 -1.0 2.0
   50    52    58    59   0.21250  1.0 3.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    60    62   0.15000  1.0 3.0
   50    54    60    63   0.15000  1.0 3.0
   50    54    64    65   0.15000  1.0 3.0
   50    54    64    66   0.15000  1.0 3.0
   50    54    64    67   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    58   0.23400  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    60   0.15000  1.0 3.0
   51    50    54    64   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    60   0.56750  1.0 1.0
   52    50    54    60  -0.07550 -1.0 2.0
   52    50    54    60   0.20000  1.0 3.0
   52    50    54    64   0.56750  1.0 1.0
   52    50    54    64  -0.07550 -1.0 2.0
   52    50    54    64   0.20000  1.0 3.0
   52    56   -68    42   0.56750  1.0 1.0
   52    56   -68    42  -0.07550 -1.0 2.0
   52    56   -68    42   0.20000  1.0 3.0
   52    56    68    71   0.56750  1.0 1.0
   52    56    68    71  -0.07550 -1.0 2.0
   52    56    68    71   0.20000  1.0 3.0
   52    56    68    74   0.56750  1.0 1.0
   52    56    68    74  -0.07550 -1.0 2.0
   52    56    68    74   0.20000  1.0 3.0
   52    56    69    70  -0.11600  1.0 1.0
   52    56    69    70  -0.09450 -1.0 2.0
   52    56    69    70   0.21250  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    68   0.15000  1.0 3.0
   53    52    56    69   0.23400  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   56    52    58    59  -0.11600  1.0 1.0
   56    52    58    59  -0.09450 -1.0 2.0
   56    52    58    59   0.21250  1.0 3.0
   56    68    71    72   0.15000  1.0 3.0
   56    68    71    73   0.15000  1.0 3.0
   56    68    71    39   0.56750  1.0 1.0
   56    68    71    39  -0.07550 -1.0 2.0
   56    68    71    39   0.20000  1.0 3.0
   56    68    74    75   0.15000  1.0 3.0
   56    68    74    76   0.15000  1.0 3.0
   56    68    74    77   0.15000  1.0 3.0
   57    56    68    42   0.15000  1.0 3.0
   57    56    68    71   0.15000  1.0 3.0
   57    56    68    74   0.15000  1.0 3.0
   57    56    69    70   0.19450  1.0 3.0
   68    42    47    48   0.15000  1.0 3.0
   68    42    47    49   0.15000  1.0 3.0
   68    42   -47    50   0.56750  1.0 1.0
   68    42   -47    50  -0.07550 -1.0 2.0
   68    42   -47    50   0.20000  1.0 3.0
   68    56    69    70  -0.11600  1.0 1.0
   68    56    69    70  -0.09450 -1.0 2.0
   68    56    69    70   0.21250  1.0 3.0
   68    71   -39    33   0.56750  1.0 1.0
   68    71   -39    33  -0.07550 -1.0 2.0
   68    71   -39    33   0.20000  1.0 3.0
   68    71    39    40   0.15000  1.0 3.0
   68    71    39    41   0.15000  1.0 3.0
   71    68    74    75   0.15000  1.0 3.0
   71    68    74    76   0.15000  1.0 3.0
   71    68    74    77   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    40   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   39    33   -38    42   0.46850  1.0 1.0
   39    33   -38    42   0.08550 -1.0 2.0
   39    33   -38    42   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    73   0.15000  1.0 3.0
   74    68    71    39   0.56750  1.0 1.0
   74    68    71    39  -0.07550 -1.0 2.0
   74    68    71    39   0.20000  1.0 3.0
   69    56    68    42   0.86500  1.0 1.0
   69    56    68    42  -0.17500 -1.0 2.0
   69    56    68    42   0.20800  1.0 3.0
   69    56    68    71   0.86500  1.0 1.0
   69    56    68    71  -0.17500 -1.0 2.0
   69    56    68    71   0.20800  1.0 3.0
   69    56    68    74   0.86500  1.0 1.0
   69    56    68    74  -0.17500 -1.0 2.0
   69    56    68    74   0.20800  1.0 3.0
   58    52    56    57   0.23400  1.0 3.0
   58    52    56    68   0.86500  1.0 1.0
   58    52    56    68  -0.17500 -1.0 2.0
   58    52    56    68   0.20800  1.0 3.0
   58    52    56    69   3.75450  1.0 1.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.56750  1.0 1.0
   54    50    52    56  -0.07550 -1.0 2.0
   54    50    52    56   0.20000  1.0 3.0
   54    50    52    58   0.86500  1.0 1.0
   54    50    52    58  -0.17500 -1.0 2.0
   54    50    52    58   0.20800  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    67   0.15000  1.0 3.0
   60    54    64    65   0.15000  1.0 3.0
   60    54    64    66   0.15000  1.0 3.0
   60    54    64    67   0.15000  1.0 3.0
   64    54    60    61   0.15000  1.0 3.0
   64    54    60    62   0.15000  1.0 3.0
   64    54    60    63   0.15000  1.0 3.0
   44    38    42    43   0.00000  1.0 1.0
   44    38    42    47   0.09850  1.0 1.0
   44    38    42    47   0.15250 -1.0 2.0
   44    38    42    47  -0.50650  1.0 3.0
   44    38    42    68   0.09850  1.0 1.0
   44    38    42    68   0.15250 -1.0 2.0
   44    38    42    68  -0.50650  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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    44   1.10000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
