* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    150    238     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02135    93.01029   -64.03291
    3     1 S   H    _H1_     3     1.02094    87.41614    44.56922
    4     1 S   H    _H2_     4     1.02046    33.13438   175.53349
    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     1.08583   110.55165    58.73304
   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   _C5_    36     1.84557    97.44007  -158.15435
   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   CO4  _C10    37     1.53971   107.58729    60.00515
   38    37 S   O    _O34    38     1.23047   123.13679    32.01457
   39    33 S   CT   _C4_    75     1.53789   108.08295   175.62565
   40    39 S   HC   _H7_    76     1.08596   109.28688    64.26570
   41    39 S   HC   _H8_    77     1.08488   109.32840   -55.75210
   42    39 S   HC   _H9_    78     1.08534   109.28648  -175.75961
   43    37 S   CM   _C9_    39     1.47876   116.70825  -153.20277
   44    43 S   CM   _C8_    40     1.33550   123.43039     8.38937
   45    44 S   CO4  _C7_    41     1.47107   122.01087     2.07462
   46    45 S   O    _O33    42     1.22834   120.10436  -168.93747
   47    44 S   CT   _C15    48     1.51465   111.51705  -178.79147
   48    47 S   HC   _H6_    49     1.09806   108.67138   120.06270
   49    33 S   CT1  _C6_    43     1.54985   109.10245   -60.61910
   50    49 S   HC   _H3_    44     1.10045   109.89344    50.98265
   51    47 S   CO   _C14    50     1.56052   101.93956     4.23050
   52    47 S   CT   _C16    66     1.52591   112.25205  -119.97309
   53    52 S   HC   _H12    67     1.08990   109.98160   159.98764
   54    52 S   HC   _H13    68     1.09026   109.91531    39.09689
   55    49 S   NT   _N7_    45     1.46412   113.43120   -70.23993
   56    55 S   H    _H20    46     0.99509   117.87578  -154.54864
   57    55 S   H    _H21    47     0.99583   117.85881    38.92717
   58    51 S   C3T  _C13    51     1.49909   120.06658  -121.71422
   59    58 S   HC   _H5_    52     1.07939   116.22647   -92.46349
   60    51 S   OS   _O37    61     1.42793   108.70698   111.30843
   61    52 S   OS   _O35    69     1.41585   108.55636   -80.43820
   62    58 S   C3T  _C12    53     1.49858   106.97900   130.19720
   63    62 S   HC   _H4_    54     1.07826   120.74529   133.98331
   64    60 S   CT   _C18    62     1.41814   111.30738   -79.96441
   65    64 S   HC   _H16    63     1.09291   109.53064  -179.95154
   66    64 S   HC   _H17    64     1.09296   109.54784    59.19524
   67    64 S   HC   _H18    65     1.09335   108.97250   -60.41232
   68    61 S   CO4  _C17    70     1.37147   116.26185   179.95577
   69    68 S   O    _O36    71     1.22631   124.75121     0.02798
   70    62 S   CT   _C11    55     1.50277   109.63293    -5.87630
   71    70 S   HC   _H10    56     1.09405   110.72453   112.54883
   72    70 S   HC   _H11    57     1.09488   110.61551  -125.95927
   73    58 S   NTH  _N6_    59     1.45969   123.68298    66.86197
   74    73 S   H    _H19    60     1.01844   110.87911   -12.39094
   75    68 S   N    _N5_    72     1.37330   110.97010   179.95577
   76    75 S   H    _H14    73     1.01378   119.30691   179.98022
   77    75 S   H    _H15    74     1.01480   121.36844     0.03426
   78    43 S   NE   _N4_    58     1.37602   125.02202  -169.38268
  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  12   5   4   3
  16   2   1   1  15   5   8   3   2   1  15  16  11   4  16   8
   4   3  19   9   3   2   2   1   1  11   7   8   5   7   6   4
   2   1   1   4   3   5   3   2   2   1   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    49    50    55    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    49    50    55    56    57    78    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    49    50    55    47    51    70    78    39    40    41    42  
   43    44    49    78    39  
   40    41    42    43    45    49    50    55  
   41    42    49  
   42    49  
   49  
   44    45    46    49    47    48    51    58    62    70    71    72    78    60    52  
   45    46    49    50    55    47    48    51    58    70    78    60    52    53    54    61  
   46    49    50    55    56    57    47    48    51    78    52  
   49    50    55    47  
   48    51    58    59    62    70    78    73    60    64    52    53    54    61    68    49  
   51    58    78    60    52    53    54    61  
   50    55    56    57  
   55    56    57  
   58    59    62    63    70    71    72    78    73    74    60    64    65    66    67    52    53    54    61  
   53    54    61    68    69    75    58    60    78  
   54    61    68  
   61    68  
   56    57  
   57  
    0  
   59    62    63    70    71    72    78    73    74    60    64  
   62    63    70    78    73    74    60  
   64    65    66    67    62    70    73    78  
   68    69    75    76    77  
   63    70    71    72    78    73    74  
   70    71    72    78    73    74  
   65    66    67    78  
   66    67  
   67  
    0  
   69    75    76    77  
   75    76    77  
   71    72    78    73    74  
   72    78    73  
   78    73  
   74    78  
    0  
   76    77  
   77  
    0  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   57   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   70   3.5000   0.0660   0.115300   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   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   76   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   77   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   78   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
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   317.000  1.522
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   320.000  1.462
   43    44   549.000  1.340
   43    78   425.000  1.378
   44    45   320.000  1.462
   44    47   317.000  1.510
   45    46   570.000  1.229
   45    49   255.000  1.522
   49    50   340.000  1.090
   49    55   305.000  1.457
   55    56   434.000  1.010
   55    57   434.000  1.010
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    52   268.000  1.529
   51    58   275.000  1.510
   51    78   320.000  1.442
   51    60   320.000  1.380
   58    59   340.000  1.088
   58    62   260.000  1.509
   58    73   315.000  1.448
   62    63   340.000  1.088
   62    70   275.000  1.510
   62    73   315.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   382.000  1.448
   73    74   500.000  1.015
   60    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   320.000  1.410
   61    68   214.000  1.327
   68    69   570.000  1.229
   68    75   435.000  1.380
   75    76   434.000  1.010
   75    77   434.000  1.010
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  110.18000
   29    33    49    75.00000  108.68000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    49    45    70.00000  110.61500
   33    49    50    37.50000  110.70000
   33    49    55    80.00000  111.22000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  118.96000
   37    43    78    70.00000  117.92000
   43    37    38    80.00000  123.72100
   43    44    45    65.00000  118.96000
   43    44    47    70.00000  124.00000
   43    78    51    50.00000  121.00000
   43    78    70    50.00000  121.00000
   44    45    46    80.00000  123.72100
   44    45    49    65.00000  118.62400
   44    47    48    35.00000  109.50000
   44    47    51    70.00000  112.02700
   44    47    52    70.00000  112.02700
   45    49    50    45.00000  110.09800
   45    49    55    75.00000  112.91400
   49    33    37    63.00000  111.10000
   49    45    46    75.00000  123.42600
   49    55    56    50.00000  111.55300
   49    55    57    50.00000  111.55300
   55    49    50    50.00000  109.55000
   57    55    56    43.60000  106.40000
   47    44    45    65.00000  116.34900
   47    51    58    65.00000  112.71400
   47    51    78    85.00000  109.98000
   47    51    60    90.00000  108.56700
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    61    50.00000  109.50000
   51    47    48    45.00000  108.72000
   51    58    59    40.00000  115.04500
   51    58    62    60.00000  120.94000
   51    58    73    80.00000  104.84000
   51    78    70    50.00000  115.00000
   51    60    64    60.00000  109.50000
   58    62    63    37.50000  117.20000
   58    62    70    60.00000  120.94000
   58    62    73    30.00000   60.00000
   58    73    62    10.00000   60.00000
   58    73    74    50.00000  109.23200
   62    58    59    37.50000  117.20000
   62    70    71    45.00000  109.38400
   62    70    72    45.00000  109.38400
   62    70    78    80.00000  111.61500
   62    73    74    50.00000  109.23200
   70    62    63    40.00000  115.04500
   72    70    71    33.00000  107.80000
   78    43    44    70.00000  124.03900
   78    51    58    85.00000  109.98000
   78    70    71    35.00000  109.50000
   78    70    72    35.00000  109.50000
   73    58    59    50.00000  110.59500
   73    58    62    30.00000   60.00000
   73    62    63    50.00000  110.59500
   73    62    70    80.00000  111.29100
   60    51    58    90.00000  108.56700
   60    51    78    95.00000  112.71300
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    51    75.00000  109.43000
   52    61    68    83.00000  116.90000
   54    52    53    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    54    35.00000  109.50000
   61    68    69    83.00000  123.40000
   61    68    75   110.00000  108.75700
   68    75    76    50.00000  116.34900
   68    75    77    50.00000  116.34900
   75    68    69    85.00000  125.96000
   77    75    76    35.00000  120.00000
   39    33    37    63.00000  111.10000
   39    33    49    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    49    45  -2.17200  1.0 1.0
   29    33    49    45  -0.85700 -1.0 2.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44  -0.33500  1.0 1.0
   33    37    43    44   1.06600 -1.0 2.0
   33    37    43    44  -0.14000  1.0 3.0
   33    37    43    78   1.50000 -1.0 2.0
   33    49    55    56  -0.05950  1.0 1.0
   33    49    55    56   0.08850 -1.0 2.0
   33    49    55    56   0.11750  1.0 3.0
   33    49    55    57  -0.05950  1.0 1.0
   33    49    55    57   0.08850 -1.0 2.0
   33    49    55    57   0.11750  1.0 3.0
   37    33    49    45  -0.84850  1.0 1.0
   37    33    49    45  -0.22800 -1.0 2.0
   37    33    49    45   0.29250  1.0 3.0
   37    33    49    50  -0.03800  1.0 3.0
   37    33    49    55  -3.56550  1.0 1.0
   37    33    49    55  -0.67500 -1.0 2.0
   37    33    49    55   1.11300  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43   -44    45   7.00000 -1.0 2.0
   37    43    44    47   7.00000 -1.0 2.0
   37    43    78    51   1.00000 -1.0 2.0
   37    43    78    70   1.00000 -1.0 2.0
   38    37    43    44   1.00000 -1.0 2.0
   38    37    43    78  -0.52200  1.0 1.0
   38    37    43    78   0.82950 -1.0 2.0
   43    44    45    46   1.00000 -1.0 2.0
   43    44    45    49  -0.33500  1.0 1.0
   43    44    45    49   1.06600 -1.0 2.0
   43    44    45    49  -0.14000  1.0 3.0
   43    44    47    48   0.00000  1.0 1.0
   43    44   -47    51   0.09850  1.0 1.0
   43    44   -47    51   0.15250 -1.0 2.0
   43    44   -47    51  -0.50650  1.0 3.0
   43    44    47    52   0.09850  1.0 1.0
   43    44    47    52   0.15250 -1.0 2.0
   43    44    47    52  -0.50650  1.0 3.0
   44    43   -78    51  -0.54700  1.0 1.0
   44    43   -78    51   1.23000 -1.0 2.0
   44    43    78    70  -0.54700  1.0 1.0
   44    43    78    70   1.23000 -1.0 2.0
   44    45   -49    33   0.65300  1.0 1.0
   44    45   -49    33  -0.03850 -1.0 2.0
   44    45   -49    33   0.33900  1.0 3.0
   44    45    49    50   0.00000  1.0 1.0
   44    45    49    55   0.65300  1.0 1.0
   44    45    49    55  -0.03850 -1.0 2.0
   44    45    49    55   0.33900  1.0 3.0
   44    47    51    58   0.34400  1.0 1.0
   44    47    51    58   0.09450 -1.0 2.0
   44    47    51    58   0.11100  1.0 3.0
   44    47   -51    78   0.21700  1.0 1.0
   44    47   -51    78   0.68550 -1.0 2.0
   44    47   -51    78  -0.27950  1.0 3.0
   44    47    51    60   0.61850  1.0 1.0
   44    47    51    60  -0.22750 -1.0 2.0
   44    47    51    60   0.15300  1.0 3.0
   44    47    52    53   0.15000  1.0 3.0
   44    47    52    54   0.15000  1.0 3.0
   44    47    52    61   0.61850  1.0 1.0
   44    47    52    61  -0.22750 -1.0 2.0
   44    47    52    61   0.15300  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.09700  1.0 1.0
   45    44    47    51   0.15600 -1.0 2.0
   45    44    47    51  -0.50800  1.0 3.0
   45    44    47    52   0.09700  1.0 1.0
   45    44    47    52   0.15600 -1.0 2.0
   45    44    47    52  -0.50800  1.0 3.0
   45    49    55    56   0.21900  1.0 1.0
   45    49    55    56  -0.24900 -1.0 2.0
   45    49    55    56   0.15200  1.0 3.0
   45    49    55    57   0.21900  1.0 1.0
   45    49    55    57  -0.24900 -1.0 2.0
   45    49    55    57   0.15200  1.0 3.0
   46    45    49    33   0.00000  1.0 1.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    55   0.30150 -1.0 2.0
   49    33    37    38   0.30150 -1.0 2.0
   49    33   -37    43   0.65300  1.0 1.0
   49    33   -37    43  -0.03850 -1.0 2.0
   49    33   -37    43   0.33900  1.0 3.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   50    49    55    56   0.20000  1.0 3.0
   50    49    55    57   0.20000  1.0 3.0
   47    44    45    46  -0.64400  1.0 1.0
   47    44    45    46   0.26850 -1.0 2.0
   47    44    45    49   0.25700  1.0 1.0
   47    44    45    49   0.66200 -1.0 2.0
   47    44    45    49   0.04450  1.0 3.0
   47    51    58    59   0.15000  1.0 3.0
   47    51    58    62   0.07850  1.0 1.0
   47    51    58    62  -0.03950 -1.0 2.0
   47    51    58    62   0.67350  1.0 3.0
   47    51    58    73   1.53400  1.0 1.0
   47    51    58    73  -0.09950 -1.0 2.0
   47    51    58    73   0.05700  1.0 3.0
   47    51   -78    43   0.25450  1.0 1.0
   47    51   -78    43  -0.61700 -1.0 2.0
   47    51   -78    43  -0.23550  1.0 3.0
   47    51    78    70   0.00000  1.0 1.0
   47    51    60    64   0.06250  1.0 1.0
   47    51    60    64  -0.01100 -1.0 2.0
   47    51    60    64   0.28050  1.0 3.0
   47    52    61    68  -0.25900  1.0 1.0
   47    52    61    68  -0.47000 -1.0 2.0
   47    52    61    68   0.11750  1.0 3.0
   48    47    51    58   0.15000  1.0 3.0
   48    47    51    78   0.22950  1.0 3.0
   48    47    51    60   0.23400  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    61   0.23400  1.0 3.0
   51    47    52    53   0.15000  1.0 3.0
   51    47    52    54   0.15000  1.0 3.0
   51    47    52    61   0.62750  1.0 1.0
   51    47    52    61  -0.30950 -1.0 2.0
   51    47    52    61   0.27300  1.0 3.0
   51    58    62    63   0.15000  1.0 3.0
   51    58   -62    70   3.97050  1.0 1.0
   51    58   -62    73   1.53400  1.0 1.0
   51    58   -62    73  -0.09950 -1.0 2.0
   51    58   -62    73   0.05700  1.0 3.0
   51    58   -73    62  -0.35450  1.0 1.0
   51    58   -73    62   0.44050 -1.0 2.0
   51    58   -73    62   0.77100  1.0 3.0
   51    58    73    74   0.03200  1.0 1.0
   51    58    73    74   0.33800 -1.0 2.0
   51    60    64    65   0.37050  1.0 3.0
   51    60    64    66   0.37050  1.0 3.0
   51    60    64    67   0.37050  1.0 3.0
   58    51    78    43   0.25450  1.0 1.0
   58    51    78    43  -0.61700 -1.0 2.0
   58    51    78    43  -0.23550  1.0 3.0
   58    51   -78    70   0.00000  1.0 1.0
   58    51    60    64   0.06250  1.0 1.0
   58    51    60    64  -0.01100 -1.0 2.0
   58    51    60    64   0.28050  1.0 3.0
   58    62    70    71   0.15000  1.0 3.0
   58    62    70    72   0.15000  1.0 3.0
   58    62   -70    78   1.26750  1.0 1.0
   58    62   -70    78  -0.00950 -1.0 2.0
   58    62   -70    78   0.30600  1.0 3.0
   58    62   -73    74   0.03200  1.0 1.0
   58    62   -73    74   0.33800 -1.0 2.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    70   0.15000  1.0 3.0
   59    58   -62    73   0.15000  1.0 3.0
   59    58   -73    62   0.28000  1.0 3.0
   59    58    73    74   0.20000  1.0 3.0
   62    58   -73    74   0.03200  1.0 1.0
   62    58   -73    74   0.33800 -1.0 2.0
   62    70    78    43   0.25450  1.0 1.0
   62    70    78    43  -0.61700 -1.0 2.0
   62    70    78    43  -0.23550  1.0 3.0
   62    70   -78    51   0.00000  1.0 1.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    78   0.22950  1.0 3.0
   63    62   -73    58   0.28000  1.0 3.0
   63    62    73    74   0.20000  1.0 3.0
   70    62   -73    58  -0.35450  1.0 1.0
   70    62   -73    58   0.44050 -1.0 2.0
   70    62   -73    58   0.77100  1.0 3.0
   70    62    73    74   0.03200  1.0 1.0
   70    62    73    74   0.33800 -1.0 2.0
   71    70    78    43   0.00000  1.0 1.0
   71    70    78    51   0.00000  1.0 1.0
   72    70    78    43   0.00000  1.0 1.0
   72    70    78    51   0.00000  1.0 1.0
   78    43    44    45   7.00000 -1.0 2.0
   78    43   -44    47   7.00000 -1.0 2.0
   78    51    58    59   0.22950  1.0 3.0
   78    51   -58    62   1.26750  1.0 1.0
   78    51   -58    62  -0.00950 -1.0 2.0
   78    51   -58    62   0.30600  1.0 3.0
   78    51    58    73   4.29400  1.0 1.0
   78    51    58    73   0.12050 -1.0 2.0
   78    51    60    64  -0.25000  1.0 1.0
   78    51    60    64  -0.75000 -1.0 2.0
   78    51    60    64   0.50000  1.0 3.0
   73    58   -62    63   0.15000  1.0 3.0
   73    58   -62    70   1.53400  1.0 1.0
   73    58   -62    70  -0.09950 -1.0 2.0
   73    58   -62    70   0.05700  1.0 3.0
   73    62    70    71   0.15000  1.0 3.0
   73    62    70    72   0.15000  1.0 3.0
   73    62   -70    78   4.29400  1.0 1.0
   73    62   -70    78   0.12050 -1.0 2.0
   60    51    58    59   0.23400  1.0 3.0
   60    51    58    62  -0.26800  1.0 1.0
   60    51    58    62   0.69150 -1.0 2.0
   60    51    58    62  -0.48750  1.0 3.0
   60    51    58    73   2.01850  1.0 1.0
   60    51    58    73  -0.32950 -1.0 2.0
   60    51    58    73  -0.50350  1.0 3.0
   60    51    78    43   0.75000  1.0 1.0
   60    51    78    43  -0.75000 -1.0 2.0
   60    51    78    70   0.00000  1.0 1.0
   52    47    51    58   0.47050  1.0 1.0
   52    47    51    58   0.03900 -1.0 2.0
   52    47    51    58   0.20100  1.0 3.0
   52    47    51    78   1.26750  1.0 1.0
   52    47    51    78  -0.00950 -1.0 2.0
   52    47    51    78   0.30600  1.0 3.0
   52    47    51    60   0.62750  1.0 1.0
   52    47    51    60  -0.30950 -1.0 2.0
   52    47    51    60   0.27300  1.0 3.0
   52    61    68    69   3.00000 -1.0 2.0
   52    61    68    75  -0.80800  1.0 1.0
   52    61    68    75   2.06850 -1.0 2.0
   53    52    61    68   0.08050  1.0 3.0
   54    52    61    68   0.08050  1.0 3.0
   61    68    75    76   2.56700 -1.0 2.0
   61    68    75    77   2.56700 -1.0 2.0
   69    68    75    76   2.45000 -1.0 2.0
   69    68    75    77   2.45000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.65300  1.0 1.0
   39    33    37    43  -0.03850 -1.0 2.0
   39    33    37    43   0.33900  1.0 3.0
   39    33    49    45  -0.84850  1.0 1.0
   39    33    49    45  -0.22800 -1.0 2.0
   39    33    49    45   0.29250  1.0 3.0
   39    33    49    50   0.15000  1.0 3.0
   39    33    49    55   1.53400  1.0 1.0
   39    33    49    55  -0.09950 -1.0 2.0
   39    33    49    55   0.05700  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
   33    43    37    38  10.50000 -1.0 2.0
   37    78    43    44   1.10000 -1.0 2.0
   45    47    44    43   1.10000 -1.0 2.0
   44    49    45    46  10.50000 -1.0 2.0
   70    43    78    51   1.00000 -1.0 2.0
   61    75    68    69  10.50000 -1.0 2.0
   77    68    75    76   1.00000 -1.0 2.0
END
