* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    148    223     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02025    82.69340    51.37394
    3     1 S   H    _H1_     3     1.02103    34.75441  -169.96561
    4     1 S   H    _H2_     4     1.02114    96.75283   -56.72444
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C7_    36     1.84307    97.47928  -158.14097
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C6_    37     1.52976   108.92949   160.01955
   38    37 S   HC   _H12    38     1.10591   111.54255   -37.33774
   39    37 S   HC   _H13    39     1.10554   109.88126  -155.56108
   40    33 S   OS   _O40    77     1.43400   108.53075    43.93846
   41    37 S   CG   _C5_    40     1.48818   114.75723    83.78239
   42    40 S   CT   _C17    78     1.41765   111.08779    57.36590
   43    42 S   HC   _H20    79     1.09296   109.50420   179.92338
   44    42 S   HC   _H21    80     1.09328   109.53821    59.18467
   45    42 S   HC   _H22    81     1.09148   109.00823   -60.47117
   46    41 S   NIP  _N4_    41     1.29075   124.75796    19.35438
   47    41 S   OH   _O41    75     1.34154   117.55749  -164.15889
   48    47 S   HO   _H23    76     0.97340   111.57033     0.03956
   49    46 S   CT   _C9_    42     1.54077   124.45957    -6.48809
   50    49 S   OM   _O33    43     1.32735   113.06714  -105.83981
   51    49 S   HC   _H3_    44     1.10303   100.71208   128.84822
   52    46 S   CT   _C4_    71     1.50387   120.21715   174.46466
   53    52 S   HC   _H9_    72     1.09053   108.13814    89.97119
   54    52 S   HC   _H10    73     1.09164   108.17462   -30.06722
   55    52 S   HC   _H11    74     1.09115   108.19687  -149.97068
   56    33 S   CT   _C8_    45     1.55624   114.97067   -77.45658
   57    56 S   CZ   _C10    46     1.48646   111.81342    61.99791
   58    57 S   NZ   _N5_    47     1.15937   179.97202   -18.20360
   59    56 S   OS1  _O34    48     1.44755   107.24636   177.34900
   60    59 S   CO1  _C11    49     1.41479   110.82740  -179.43076
   61    60 S   HC   _H4_    50     1.09767   107.40771     0.05935
   62    60 S   CT   _C12    51     1.52893   107.78529   119.62612
   63    62 S   HC   _H5_    52     1.09709   110.67576    51.41119
   64    62 S   CT   _C13    53     1.52878   111.33008   173.96574
   65    64 S   HC   _H6_    54     1.09703   110.93394    74.79363
   66    62 S   OH5  _O39    69     1.42680   109.51667   -66.29318
   67    66 S   HO   _H19    70     0.96862   106.47580   -61.58223
   68    64 S   CT   _C14    55     1.52844   111.20212   -48.58973
   69    68 S   HC   _H7_    56     1.09726   108.99498   -72.57625
   70    64 S   OH5  _O38    67     1.42846   109.15971  -168.26842
   71    70 S   HO   _H18    68     0.96877   106.32771    61.35293
   72    68 S   CT   _C15    57     1.53085   110.80152    49.59451
   73    72 S   HC   _H8_    58     1.09801   110.52614    64.71700
   74    68 S   OH5  _O37    65     1.42568   108.03091   170.63307
   75    74 S   HO   _H17    66     0.96904   106.56469   -60.03647
   76    60 S   OS1  _O35    59     1.42472   109.84925  -119.89480
   77    72 S   CT   _C16    60     1.52545   112.27907  -175.09260
   78    77 S   HC   _H14    61     1.09046   109.91132    59.99589
   79    77 S   HC   _H15    62     1.08967   109.94273   -60.94434
   80    77 S   OH5  _O36    63     1.41575   108.58903   179.50544
   81    80 S   HO   _H16    64     0.97228   107.08517  -179.98022
  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  11   5   4   3
  19   2   1   1  13   6   5   9  11   4   2   1   1  12   3   1
  11   5   4   4   2   1   1   7   3   1   8  13   6  12   7  13
   7   4   1  12   7   3   1   9   6   3   1   4   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    49    56    57    59    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    46    49    50    51    56    57    58    59    60    47    40    42    43    44    45  
   35    36  
   36  
    0  
   38    39    41    46    49    56    57    59    52    47    48    40    42  
   39    41    46    56    47    40  
   41    46    56    47    40  
   42    43    44    45    41    49    56    57    59  
   46    49    50    51    56    52    53    54    55    47    48  
   43    44    45    56  
   44    45  
   45  
    0  
   49    50    51    56    57    59    52    53    54    55    47    48  
   48    49    52  
    0  
   50    51    56    57    58    59    60    52    53    54    55  
   51    56    57    59    52  
   56    57    59    52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    76  
   58    59    60  
   59  
   60    61    62    63    64    72    76    66  
   61    62    63    64    65    68    72    73    76    77    70    66    67  
   62    63    64    72    76    66  
   63    64    65    68    69    72    76    74    70    71    66    67  
   64    65    68    76    70    66    67  
   65    68    69    72    73    76    77    74    75    70    71    66    67  
   68    69    72    74    70    71    66  
   67    68    70    76  
    0  
   69    72    73    76    77    78    79    80    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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  -0.316400   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   0.348900   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   0.215700   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.285800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.065700   2.0080   1.7800   0.003973653   1.685851020
   47   3.1200   0.1700  -0.503000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   4.2000   0.3000   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.226700   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   58   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   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    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    56   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   290.000  1.488
   41    46   635.000  1.286
   41    47   440.000  1.374
   46    49   280.000  1.462
   46    52   280.000  1.462
   49    50   570.000  1.307
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   390.000  1.470
   56    59   335.000  1.422
   57    58   650.000  1.157
   59    60   370.000  1.399
   60    61   360.000  1.097
   60    62   255.000  1.525
   60    76   370.000  1.399
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   335.000  1.422
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   355.000  1.421
   80    81   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   47    48   553.000  0.945
   40    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    56    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    70.00000  109.02000
   33    56    49    58.35000  112.70000
   33    56    57    58.35000  112.70000
   33    56    59    95.00000  107.88500
   33    40    42    60.00000  109.50000
   37    41    46    70.00000  120.65200
   37    41    47    85.00000  110.80600
   39    37    38    33.00000  107.80000
   41    37    38    45.00000  109.33400
   41    37    39    45.00000  109.33400
   41    46    49    70.00000  122.59000
   41    46    52    70.00000  122.59000
   41    47    48    70.00000  105.55000
   46    49    50    95.00000  111.00000
   46    49    51    50.00000  106.46400
   46    49    56    75.00000  111.57000
   46    52    53    50.00000  106.46400
   46    52    54    50.00000  106.46400
   46    52    55    50.00000  106.46400
   49    56    57    58.35000  112.70000
   49    56    59    95.00000  107.88500
   51    49    50    45.00000  125.66300
   56    33    37    58.35000  112.70000
   56    49    50    50.00000  109.50000
   56    49    51    37.50000  110.70000
   56    57    58   150.00000  180.00000
   56    59    60    90.00000  112.10700
   59    56    57    90.00000  109.17800
   59    60    61    60.00000  105.75400
   59    60    62    90.00000  109.70700
   59    60    76   110.00000  113.16000
   60    62    63    45.00000  109.54000
   60    62    64    70.00000  111.10000
   60    62    66    90.00000  109.42000
   60    76    72    90.00000  112.10700
   62    60    61    45.00000  111.65000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    70    90.00000  111.45300
   62    66    67    65.00000  108.53500
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    74    90.00000  111.45300
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    95.00000  107.88500
   68    72    77    58.35000  112.70000
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    90.00000  111.45300
   76    60    61    60.00000  105.75400
   76    60    62    90.00000  109.70700
   76    72    73    55.00000  108.98800
   77    72    73    37.50000  110.70000
   77    72    76    95.00000  107.88500
   77    80    81    65.00000  108.53500
   79    77    78    33.00000  107.80000
   80    77    78    60.00000  109.39000
   80    77    79    60.00000  109.39000
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    62    63    60.00000  109.39000
   66    62    64    90.00000  111.45300
   52    46    49    75.00000  117.54700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   47    41    46   100.00000  117.62000
   40    33    37    50.00000  109.50000
   40    33    56    50.00000  109.50000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    56    49   0.44750  1.0 1.0
   29    33    56    49  -0.17800 -1.0 2.0
   29    33    56    49   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    59   0.56750  1.0 1.0
   29    33    56    59  -0.07550 -1.0 2.0
   29    33    56    59   0.20000  1.0 3.0
   29    33    40    42   0.14700  1.0 1.0
   29    33    40    42  -1.16150 -1.0 2.0
   29    33    40    42   0.48700  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    47   0.00000  1.0 1.0
   33    56    57    58   0.00000  1.0 1.0
   33    56    59    60   0.06250  1.0 1.0
   33    56    59    60  -0.01100 -1.0 2.0
   33    56    59    60   0.28050  1.0 3.0
   33    40    42    43   0.37050  1.0 3.0
   33    40    42    44   0.37050  1.0 3.0
   33    40    42    45   0.37050  1.0 3.0
   37    33    56    49   0.56750  1.0 1.0
   37    33    56    49  -0.07550 -1.0 2.0
   37    33    56    49   0.20000  1.0 3.0
   37    33    56    57  -0.74000  1.0 1.0
   37    33    56    57   0.24050 -1.0 2.0
   37    33    56    57   0.24650  1.0 3.0
   37    33    56    59   0.62750  1.0 1.0
   37    33    56    59  -0.30950 -1.0 2.0
   37    33    56    59   0.27300  1.0 3.0
   37    33    40    42   0.06250  1.0 1.0
   37    33    40    42  -0.01100 -1.0 2.0
   37    33    40    42   0.28050  1.0 3.0
   37    41   -46    49   2.00000 -1.0 2.0
   37    41    46    52   2.00000 -1.0 2.0
   37    41    47    48   1.50000 -1.0 2.0
   38    37    41    46   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    46   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    46    49    50   0.00000  1.0 1.0
   41    46    49    51  -0.22200  1.0 3.0
   41    46    49    56   0.00000  1.0 1.0
   41    46    52    53  -0.22200  1.0 3.0
   41    46    52    54  -0.22200  1.0 3.0
   41    46    52    55  -0.22200  1.0 3.0
   46    41    47    48   1.50000 -1.0 2.0
   46    49   -56    33   0.56750  1.0 1.0
   46    49   -56    33  -0.07550 -1.0 2.0
   46    49   -56    33   0.20000  1.0 3.0
   46    49    56    57   0.56750  1.0 1.0
   46    49    56    57  -0.07550 -1.0 2.0
   46    49    56    57   0.20000  1.0 3.0
   46    49    56    59   0.56750  1.0 1.0
   46    49    56    59  -0.07550 -1.0 2.0
   46    49    56    59   0.20000  1.0 3.0
   49    46    52    53   0.00000  1.0 1.0
   49    46    52    54   0.00000  1.0 1.0
   49    46    52    55   0.00000  1.0 1.0
   49    56    57    58   0.00000  1.0 1.0
   49    56    59    60   0.06250  1.0 1.0
   49    56    59    60  -0.01100 -1.0 2.0
   49    56    59    60   0.28050  1.0 3.0
   50    49    56    33   0.62750  1.0 1.0
   50    49    56    33  -0.30950 -1.0 2.0
   50    49    56    33   0.27300  1.0 3.0
   50    49    56    57   0.56750  1.0 1.0
   50    49    56    57  -0.07550 -1.0 2.0
   50    49    56    57   0.20000  1.0 3.0
   50    49    56    59   1.11900  1.0 1.0
   50    49    56    59  -1.16350 -1.0 2.0
   50    49    56    59  -0.34150  1.0 3.0
   51    49    56    33   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    59   0.23400  1.0 3.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    41   0.34400  1.0 1.0
   56    33   -37    41   0.09450 -1.0 2.0
   56    33   -37    41   0.11100  1.0 3.0
   56    33    40    42   0.06250  1.0 1.0
   56    33    40    42  -0.01100 -1.0 2.0
   56    33    40    42   0.28050  1.0 3.0
   56    59    60    61   0.37050  1.0 3.0
   56    59    60    62   0.06250  1.0 1.0
   56    59    60    62  -0.01100 -1.0 2.0
   56    59    60    62   0.28050  1.0 3.0
   56    59    60    76  -0.12700  1.0 1.0
   56    59    60    76  -1.16200 -1.0 2.0
   56    59    60    76   0.58800  1.0 3.0
   57    56    59    60   0.37500  1.0 3.0
   59    56    57    58   0.00000  1.0 1.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.62750  1.0 1.0
   59    60    62    64  -0.30950 -1.0 2.0
   59    60    62    64   0.27300  1.0 3.0
   59    60    62    66   1.51850  1.0 1.0
   59    60    76    72  -0.70400  1.0 1.0
   59    60    76    72  -0.90350 -1.0 2.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    68   0.56750  1.0 1.0
   60    62    64    68  -0.07550 -1.0 2.0
   60    62    64    68   0.20000  1.0 3.0
   60    62    64    70  -0.47750  1.0 1.0
   60    62    66    67   0.29150  1.0 1.0
   60    62    66    67  -0.28350 -1.0 2.0
   60    62    66    67   0.43600  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    66   0.23400  1.0 3.0
   61    60    76    72   0.37050  1.0 3.0
   62    60    76    72   0.06250  1.0 1.0
   62    60    76    72  -0.01100 -1.0 2.0
   62    60    76    72   0.28050  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64   -68    72   0.56750  1.0 1.0
   62    64   -68    72  -0.07550 -1.0 2.0
   62    64   -68    72   0.20000  1.0 3.0
   62    64    68    74  -0.47750  1.0 1.0
   62    64    70    71   0.29150  1.0 1.0
   62    64    70    71  -0.28350 -1.0 2.0
   62    64    70    71   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    70   0.23400  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67   0.29150  1.0 1.0
   64    62    66    67  -0.28350 -1.0 2.0
   64    62    66    67   0.43600  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    76   0.62750  1.0 1.0
   64    68    72    76  -0.30950 -1.0 2.0
   64    68    72    76   0.27300  1.0 3.0
   64    68    72    77   0.56750  1.0 1.0
   64    68    72    77  -0.07550 -1.0 2.0
   64    68    72    77   0.20000  1.0 3.0
   64    68    74    75   0.29150  1.0 1.0
   64    68    74    75  -0.28350 -1.0 2.0
   64    68    74    75   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   65    64    68    74   0.23400  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    72   -76    60   0.06250  1.0 1.0
   68    72   -76    60  -0.01100 -1.0 2.0
   68    72   -76    60   0.28050  1.0 3.0
   68    72    77    78   0.15000  1.0 3.0
   68    72    77    79   0.15000  1.0 3.0
   68    72    77    80  -0.47750  1.0 1.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.23400  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    77    80    81   0.29150  1.0 1.0
   72    77    80    81  -0.28350 -1.0 2.0
   72    77    80    81   0.43600  1.0 3.0
   73    72    76    60   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    60    62    63   0.23400  1.0 3.0
   76    60   -62    64   0.62750  1.0 1.0
   76    60   -62    64  -0.30950 -1.0 2.0
   76    60   -62    64   0.27300  1.0 3.0
   76    60    62    66   1.51850  1.0 1.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   1.51850  1.0 1.0
   77    72    76    60   0.06250  1.0 1.0
   77    72    76    60  -0.01100 -1.0 2.0
   77    72    76    60   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   1.51850  1.0 1.0
   74    68    72    77  -0.47750  1.0 1.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72  -0.47750  1.0 1.0
   70    64    68    74   3.77950  1.0 1.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68  -0.47750  1.0 1.0
   66    62    64    70   3.77950  1.0 1.0
   52    46    49    50   0.00000  1.0 1.0
   52    46    49    51   0.00000  1.0 1.0
   52    46    49    56   0.00000  1.0 1.0
   47    41    46    49   2.00000 -1.0 2.0
   47    41    46    52   2.00000 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41   0.61850  1.0 1.0
   40    33    37    41  -0.22750 -1.0 2.0
   40    33    37    41   0.15300  1.0 3.0
   40    33    56    49   0.62750  1.0 1.0
   40    33    56    49  -0.30950 -1.0 2.0
   40    33    56    49   0.27300  1.0 3.0
   40    33    56    57   0.56750  1.0 1.0
   40    33    56    57  -0.07550 -1.0 2.0
   40    33    56    57   0.20000  1.0 3.0
   40    33    56    59   1.11900  1.0 1.0
   40    33    56    59  -1.16350 -1.0 2.0
   40    33    56    59  -0.34150  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
   37    47    41    46  10.50000 -1.0 2.0
   49    52    46    41   1.00000 -1.0 2.0
END
