* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    156    242     451
    1     0 S   NP   _N1_     1    31.25779    99.09384   -25.47460
    2     1 S   H    _HN1     2     1.02803    20.94165   -76.63431
    3     1 S   H    _H1_     3     1.02792   100.50099   171.48410
    4     1 S   H    _H2_     4     1.03397   129.39516   -65.87820
    5     1 S   CT   _CA1     5     1.49974    96.91798    58.72922
    6     5 S   HC   _HA1     6     1.09303   104.58277   166.66408
    7     5 S   CO3  _C1_     7     1.53695   112.83299    47.05819
    8     7 S   O2Z  _O11     8     1.26372   115.16310   -40.56034
    9     7 S   O2Z  _O12     9     1.26247   114.84659   138.79095
   10     5 S   CT   _CB1    10     1.53389   107.51346   -74.32305
   11    10 S   HC   HB11    11     1.09794   109.82928   -43.26587
   12    10 S   HC   HB12    12     1.09794   109.38488    73.16006
   13    10 S   CT   _CG1    13     1.53169   114.07961  -165.71311
   14    13 S   HC   HG11    14     1.09698   109.25479  -163.97864
   15    13 S   HC   HG12    15     1.09424   112.20780   -46.16805
   16    13 S   C    _CD1    16     1.51456   111.16100    78.41173
   17    16 S   O    _OE1    17     1.22908   121.49538    84.04767
   18    16 S   N    _N2_    18     1.38236   113.39176   -93.72156
   19    18 S   H    _HN2    19     1.01685   119.14717     0.34264
   20    18 S   CT1  _CA2    20     1.46219   123.34074   177.42337
   21    20 S   HC   _HA2    21     1.09765   109.23871    12.87399
   22    20 S   C    _C2_    22     1.53628   108.87695  -102.70196
   23    22 S   O    _O2_    23     1.23067   122.38948  -139.64356
   24    20 S   CT   _CB2    32     1.53229   111.42643   134.58033
   25    24 S   HC   HB21    33     1.09568   110.12257    54.88871
   26    24 S   HC   HB22    34     1.09456   109.93662   173.98591
   27    22 S   N    _N3_    24     1.38522   113.85147    47.81319
   28    27 S   H    _HN3    25     1.01517   119.73484    -1.96732
   29    24 S   S    _SG2    35     1.82961   111.49261   -65.97469
   30    27 S   CT   _CA3    26     1.45373   122.66294   177.05510
   31    30 S   HC   HA31    27     1.09569   107.29105   -64.99239
   32    30 S   HC   HA32    28     1.09564   108.06851    51.24832
   33    29 S   CT   _C19    36     1.84427    99.12648   177.30470
   34    33 S   HC   _H3_    37     1.09259   103.90572   -47.57215
   35    30 S   CO3  _C3_    29     1.52875   114.44764   173.00627
   36    35 S   O2Z  _O31    30     1.26428   116.13438   -15.15102
   37    35 S   O2Z  _O32    31     1.26384   114.60081   165.44259
   38    33 S   C5A  _C10    38     1.50354   111.38918    69.72123
   39    33 S   CM   _C20    73     1.51305   108.64784  -161.51132
   40    38 S   C5B  _C9_    39     1.38184   131.37801    41.65502
   41    40 S   HA   _H13    40     1.08092   127.30606    -1.42313
   42    39 S   CMA  _C21    74     1.52282   118.86565    95.46551
   43    42 S   OM   _O35    75     1.26232   120.61800    70.55015
   44    42 S   OM   _O36    76     1.26216   120.51253  -109.39784
   45    39 S   CT   _C22    77     1.50938   122.35499   -83.06176
   46    45 S   HC   _H20    78     1.09801   109.42130   157.30337
   47    45 S   HC   _H21    79     1.09745   108.26908    43.21320
   48    40 S   N5B  _N4_    41     1.36530   111.86417   177.05516
   49    45 S   C5A  _C23    80     1.50666   116.21814   -81.40514
   50    48 S   CRA  _C8_    42     1.31802   105.65663    -0.15826
   51    49 S   C5B  _C24    81     1.38209   129.01269   -37.54021
   52    51 S   HA   _H22    82     1.08254   123.44110     0.05595
   53    38 S   NA   _N5_    43     1.38238   124.78604  -139.51612
   54    50 S   CT   _C7_    60     1.49724   125.70848  -177.45809
   55    54 S   HC   _H11    61     1.09682   108.82791   117.89669
   56    54 S   HC   _H12    62     1.09602   109.41690  -124.73881
   57    51 S   C5B  _C25    83     1.42420   112.59540   179.30339
   58    57 S   HA   _H23    84     1.08210   124.54205  -179.23639
   59    53 S   CT   _C11    44     1.45931   126.21647     1.96802
   60    59 S   HC   _H14    45     1.09514   106.61018   -47.22477
   61    59 S   HC   _H15    46     1.09406   109.36988  -162.15095
   62    54 S   CT   _C6_    63     1.53071   112.64667    -3.23628
   63    62 S   HC   _H9_    64     1.09757   109.83186    58.66805
   64    62 S   HC   _H10    65     1.09753   109.80698   -58.56581
   65    57 S   C5A  _C26    85     1.37578   111.97595     0.91920
   66    65 S   HA   _H24    86     1.08072   127.64414   179.88986
   67    59 S   CA   _C12    47     1.50891   112.79043    75.86683
   68    62 S   CT   _C5_    66     1.52881   111.27323  -179.96044
   69    68 S   HC   _H7_    67     1.09622   109.86043   -58.82778
   70    68 S   HC   _H8_    68     1.09621   109.86465    58.91382
   71    49 S   SA   _S1_    87     1.71730   119.85471   143.55797
   72    67 S   CA   _C13    48     1.40073   119.65690  -131.87036
   73    72 S   HA   _H16    49     1.08809   120.32302     1.45616
   74    68 S   CT   _C4_    69     1.52034   111.49017  -179.95154
   75    74 S   HC   _H4_    70     1.09468   111.00067   -60.25714
   76    74 S   HC   _H5_    71     1.09449   110.26132  -180.00000
   77    74 S   HC   _H6_    72     1.09468   111.00023    60.26162
   78    72 S   CA   _C14    50     1.39873   120.90594  -179.18627
   79    78 S   HA   _H17    51     1.08767   118.41339  -179.41183
   80    78 S   CA   _C15    52     1.40182   120.92089     0.57675
   81    80 S   CA   _C16    53     1.40200   118.07151     0.02798
   82    81 S   HA   _H18    54     1.08775   120.58005   179.96044
   83    80 S   CO3  _C18    57     1.50900   120.98602   179.67494
   84    83 S   O2Z  _O34    58     1.27103   117.31788   178.43978
   85    83 S   O2Z  _O33    59     1.27106   117.32703    -1.87492
   86    67 S   CA   _C17    55     1.40019   122.04031    50.24280
   87    86 S   HA   _H19    56     1.08646   120.80737    -1.14705
  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   8   5   4   3
  16   6   2   1   1  13  11   6   3   6   2   1   8   4   3   7
   7  12   6   4  10  10   5   4   4   3   9   4   3   9   5   4
   2   1   9   6   5   4   1   8   4   3   2   1   1   8   3   7
   6   3   3   1   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    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    40    53    39    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    50    53    59    39    42    43    44    45    46    47    49  
   38    40    53    39    42    45  
   36    37  
   37  
    0  
   40    41    48    50    53    59    60    61    67    54    39    42    45  
   42    43    44    45    46    47    49    51    71    40    53  
   41    48    50    53    59    54  
   48    50    53  
   43    44    45    46    47    49  
   44    45  
   45  
   46    47    49    51    52    57    65    71  
   47    49    51    71  
   49    51    71  
   50    53    59    54    55    56    62  
   51    52    57    58    65    66    71  
   53    59    60    61    67    54    55    56    62    63    64    68  
   52    57    58    65    66    71  
   57    58    65    71  
   59    60    61    67    72    86    54    55    56    62  
   55    56    62    63    64    68    69    70    74    59  
   56    62    63    64    68  
   62    63    64    68  
   58    65    66    71  
   65    66    71  
   60    61    67    72    73    78    81    86    87  
   61    67    72    86  
   67    72    86  
   63    64    68    69    70    74    75    76    77  
   64    68    69    70    74  
   68    69    70    74  
   66    71  
   71  
   72    73    78    79    80    81    82    86    87  
   69    70    74    75    76    77  
   70    74    75    76    77  
   74    75    76    77  
    0  
   73    78    79    80    81    86    87    83  
   78    79    80    86  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    86    83    84    85  
   80    81    83  
   81    82    86    87    83    84    85  
   82    86    87    83    84    85  
   86    87    83  
   84    85    86  
   85  
    0  
   87  
    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   0.241500   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   0.0700  -0.233000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.185000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.075000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   49   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.238000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   53   3.2500   0.1700  -0.073500   1.8000   1.6000   0.001000000  -0.511443539
   54   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   295.000  1.489
   33    39   317.000  1.510
   38    40   520.000  1.370
   38    53   427.000  1.381
   40    41   367.000  1.080
   40    48   410.000  1.394
   48    50   488.000  1.335
   50    53   477.000  1.343
   50    54   295.000  1.488
   53    59   320.000  1.443
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   317.000  1.510
   67    72   469.000  1.400
   67    86   469.000  1.400
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   469.000  1.400
   80    83   400.000  1.490
   81    82   367.000  1.080
   81    86   469.000  1.400
   86    87   367.000  1.080
   83    84   656.000  1.250
   83    85   656.000  1.250
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   39    42   465.000  1.376
   39    45   317.000  1.510
   42    43   745.000  1.250
   42    44   745.000  1.250
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   295.000  1.489
   49    51   520.000  1.370
   49    71   265.000  1.745
   51    52   367.000  1.080
   51    57   400.000  1.425
   57    58   367.000  1.080
   57    65   520.000  1.370
   65    66   367.000  1.080
   65    71   265.000  1.745
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    55.00000  130.44200
   33    38    53    65.00000  122.56900
   33    39    42    70.00000  124.00000
   33    39    45    65.00000  117.92700
   38    33    34    45.00000  110.47400
   38    40    41    35.00000  128.20000
   38    40    48    70.00000  111.00000
   38    53    50    70.00000  109.80000
   38    53    59    65.00000  127.50000
   40    48    50    70.00000  110.00000
   48    40    41    35.00000  120.00000
   48    50    53    70.00000  120.00000
   48    50    54    65.00000  125.57700
   50    53    59    60.00000  127.66100
   50    54    55    45.00000  109.19200
   50    54    56    45.00000  109.19200
   50    54    62    70.00000  112.56400
   53    38    40    70.00000  106.30000
   53    59    60    50.00000  108.61900
   53    59    61    50.00000  108.61900
   53    59    67    75.00000  110.34000
   59    67    72    70.00000  120.00000
   59    67    86    70.00000  120.00000
   61    59    60    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    61    35.00000  109.50000
   67    72    73    35.00000  120.00000
   67    72    78    63.00000  120.00000
   67    86    81    63.00000  120.00000
   67    86    87    35.00000  120.00000
   72    78    79    35.00000  120.00000
   72    78    80    63.00000  120.00000
   78    72    73    35.00000  120.00000
   78    80    81    63.00000  120.00000
   78    80    83    85.00000  120.00000
   80    78    79    35.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    86    63.00000  120.00000
   80    83    84    80.00000  120.40000
   80    83    85    80.00000  120.40000
   81    86    87    35.00000  120.00000
   86    67    72    63.00000  120.00000
   86    81    82    35.00000  120.00000
   83    80    81    85.00000  120.00000
   85    83    84    80.00000  126.00000
   54    50    53    65.00000  122.43800
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.40000
   39    42    43    65.00000  137.10300
   39    42    44    65.00000  137.10300
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    49    70.00000  112.40000
   44    42    43    65.00000  121.00000
   45    39    42    70.00000  124.00000
   45    49    51    55.00000  130.44200
   45    49    71    65.00000  123.52500
   47    45    46    33.00000  107.80000
   49    45    46    45.00000  110.47400
   49    45    47    45.00000  110.47400
   49    51    52    35.00000  128.20000
   49    51    57    75.00000  112.39000
   49    71    65   110.00000   90.41100
   51    57    58    35.00000  125.69000
   51    57    65    75.00000  112.39000
   57    51    52    35.00000  125.69000
   57    65    66    35.00000  130.70000
   57    65    71    80.00000  111.29200
   65    57    58    35.00000  128.20000
   71    49    51    80.00000  111.29200
   71    65    66    40.00000  122.38200
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    53   0.04300 -1.0 2.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    48   3.62500 -1.0 2.0
   33    38    53    50   3.62500 -1.0 2.0
   33    38    53    59   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    44   7.00000 -1.0 2.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.34800  1.0 3.0
   33    39    45    49   0.09700  1.0 1.0
   33    39    45    49   0.15600 -1.0 2.0
   33    39    45    49  -0.50800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    53   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    45   0.09700  1.0 1.0
   38    33    39    45   0.15600 -1.0 2.0
   38    33    39    45  -0.50800  1.0 3.0
   38    40   -48    50   2.40000 -1.0 2.0
   38    53    59    60   0.00000  1.0 1.0
   38    53    59    61   0.00000  1.0 1.0
   38    53    59    67   0.68100  1.0 1.0
   38    53    59    67   0.03350 -1.0 2.0
   38    53    59    67   0.36200  1.0 3.0
   40    38   -53    50   1.40000 -1.0 2.0
   40    38    53    59   3.62500 -1.0 2.0
   40    48   -50    53   5.00000 -1.0 2.0
   40    48    50    54   3.62500 -1.0 2.0
   41    40    48    50   2.40000 -1.0 2.0
   48    50   -53    38   2.32500 -1.0 2.0
   48    50    53    59   3.62500 -1.0 2.0
   48    50    54    55   0.00000  1.0 1.0
   48    50    54    56   0.00000  1.0 1.0
   48    50    54    62   0.29300  1.0 1.0
   48    50    54    62  -1.19700 -1.0 2.0
   48    50    54    62   0.60900  1.0 3.0
   50    53    59    60   0.00000  1.0 1.0
   50    53    59    61   0.00000  1.0 1.0
   50    53    59    67   0.68100  1.0 1.0
   50    53    59    67   0.03350 -1.0 2.0
   50    53    59    67   0.36200  1.0 3.0
   50    54    62    63   0.43200  1.0 3.0
   50    54    62    64   0.43200  1.0 3.0
   50    54    62    68  -0.03700  1.0 1.0
   50    54    62    68   0.37200 -1.0 2.0
   50    54    62    68  -0.47300  1.0 3.0
   53    38    40    41   5.37500 -1.0 2.0
   53    38   -40    48   5.37500 -1.0 2.0
   53    50    54    55   0.00000  1.0 1.0
   53    50    54    56   0.00000  1.0 1.0
   53    50    54    62   0.39850  1.0 1.0
   53    50    54    62   0.06450 -1.0 2.0
   53    50    54    62   0.32400  1.0 3.0
   53    59    67    72   0.04300 -1.0 2.0
   53    59    67    86   0.04300 -1.0 2.0
   59    67    72    73   3.62500 -1.0 2.0
   59    67    72    78   3.62500 -1.0 2.0
   59    67    86    81   3.62500 -1.0 2.0
   59    67    86    87   3.62500 -1.0 2.0
   60    59    67    72   0.00000  1.0 1.0
   60    59    67    86   0.00000  1.0 1.0
   61    59    67    72   0.00000  1.0 1.0
   61    59    67    86   0.00000  1.0 1.0
   67    72    78    79   3.62500 -1.0 2.0
   67    72    78    80   3.62500 -1.0 2.0
   72    67    86    81   3.62500 -1.0 2.0
   72    67    86    87   3.62500 -1.0 2.0
   72    78   -80    81   3.62500 -1.0 2.0
   72    78    80    83   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   78    80    81    82   3.62500 -1.0 2.0
   78    80    81    86   3.62500 -1.0 2.0
   78    80    83    84   1.05000 -1.0 2.0
   78    80    83    85   1.05000 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    83   3.62500 -1.0 2.0
   80    81   -86    67   3.62500 -1.0 2.0
   80    81    86    87   3.62500 -1.0 2.0
   81    80    83    84   1.05000 -1.0 2.0
   81    80    83    85   1.05000 -1.0 2.0
   82    81    86    67   3.62500 -1.0 2.0
   82    81    86    87   3.62500 -1.0 2.0
   86    67    72    73   3.62500 -1.0 2.0
   86    67   -72    78   3.62500 -1.0 2.0
   83    80    81    82   3.62500 -1.0 2.0
   83    80    81    86   3.62500 -1.0 2.0
   54    50    53    38   3.62500 -1.0 2.0
   54    50    53    59   3.62500 -1.0 2.0
   54    62    68    69   0.15000  1.0 3.0
   54    62    68    70   0.15000  1.0 3.0
   54    62    68    74   0.56750  1.0 1.0
   54    62    68    74  -0.07550 -1.0 2.0
   54    62    68    74   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    68   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   56    54    62    68   0.15000  1.0 3.0
   62    68    74    75   0.15000  1.0 3.0
   62    68    74    76   0.15000  1.0 3.0
   62    68    74    77   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    74   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    74   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    77   0.15000  1.0 3.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    53   0.04300 -1.0 2.0
   39    45    49    51   0.18050 -1.0 2.0
   39    45    49    71   0.04300 -1.0 2.0
   42    39    45    46   0.00000  1.0 1.0
   42    39    45    47   0.00000  1.0 1.0
   42    39    45    49   1.44450  1.0 1.0
   42    39    45    49   0.06600 -1.0 2.0
   42    39    45    49   0.29250  1.0 3.0
   45    39    42    43   7.00000 -1.0 2.0
   45    39    42    44   7.00000 -1.0 2.0
   45    49    51    52   3.62500 -1.0 2.0
   45    49    51    57   3.62500 -1.0 2.0
   45    49    71    65   3.62500 -1.0 2.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    71   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    71   0.00000  1.0 1.0
   49    51    57    58   3.62500 -1.0 2.0
   49    51   -57    65   3.62500 -1.0 2.0
   51    49   -71    65   3.62500 -1.0 2.0
   51    57    65    66   3.62500 -1.0 2.0
   51    57   -65    71   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    65   3.62500 -1.0 2.0
   57    65   -71    49   3.62500 -1.0 2.0
   58    57    65    66   3.62500 -1.0 2.0
   58    57    65    71   3.62500 -1.0 2.0
   66    65    71    49   3.62500 -1.0 2.0
   71    49    51    52   3.62500 -1.0 2.0
   71    49   -51    57   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   40    53    38    33   4.00000 -1.0 2.0
   48    41    40    38   1.10000 -1.0 2.0
   54    53    50    48   4.00000 -1.0 2.0
   50    59    53    38   4.00000 -1.0 2.0
   72    86    67    59   4.00000 -1.0 2.0
   78    73    72    67   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   81    83    80    78   4.00000 -1.0 2.0
   86    82    81    80   1.10000 -1.0 2.0
   81    87    86    67   1.10000 -1.0 2.0
   84    80    83    85  10.50000 -1.0 2.0
   33    45    39    42  15.00000 -1.0 2.0
   43    44    42    39  15.00000 -1.0 2.0
   51    71    49    45   4.00000 -1.0 2.0
   57    52    51    49   1.10000 -1.0 2.0
   65    58    57    51   1.10000 -1.0 2.0
   71    66    65    57   1.10000 -1.0 2.0
END
