* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    219     426
    1     0 S   NP   _N1_     1    28.96833    94.27678   -19.56807
    2     1 S   H    _HN1     2     1.02958   104.90198    42.41348
    3     1 S   H    _H1_     3     1.02844    34.61898   140.99863
    4     1 S   H    _H2_     4     1.02787    76.12956   -63.15120
    5     1 S   CT   _CA1     5     1.50036   137.83741  -171.04472
    6     5 S   HC   _HA1     6     1.09567   105.37140    32.50013
    7     5 S   CO3  _C1_     7     1.53990   112.27298   -87.97091
    8     7 S   O2Z  _O11     8     1.26360   115.09460   -47.89601
    9     7 S   O2Z  _O12     9     1.26250   114.92689   131.62618
   10     5 S   CT   _CB1    10     1.53153   107.49441   150.54101
   11    10 S   HC   HB11    11     1.09804   109.84072   -49.87846
   12    10 S   HC   HB12    12     1.09839   110.18361    66.77365
   13    10 S   CT   _CG1    13     1.52990   112.40628  -171.02097
   14    13 S   HC   HG11    14     1.09352   109.94751   -51.80023
   15    13 S   HC   HG12    15     1.09569   110.53856    67.14865
   16    13 S   C    _CD1    16     1.51657   111.73291  -172.35887
   17    16 S   O    _OE1    17     1.22749   122.88182   -28.11482
   18    16 S   N    _N2_    18     1.38569   111.94443   152.33971
   19    18 S   H    _HN2    19     1.01430   119.12505     3.50442
   20    18 S   CT1  _CA2    20     1.46139   123.48015  -174.09721
   21    20 S   HC   _HA2    21     1.09718   109.37246   -15.84638
   22    20 S   C    _C2_    22     1.53223   107.56193  -131.76028
   23    22 S   O    _O2_    23     1.22954   122.53418  -140.66869
   24    20 S   CT   _CB2    32     1.53652   111.45373   106.05746
   25    24 S   HC   HB21    33     1.09575   109.90447    59.37929
   26    24 S   HC   HB22    34     1.09515   110.17925   178.39002
   27    22 S   N    _N3_    24     1.38661   113.11296    45.93315
   28    27 S   H    _HN3    25     1.01535   118.94972    -5.75139
   29    24 S   S    _SG2    35     1.82576   111.53529   -61.20582
   30    27 S   CT   _CA3    26     1.45447   123.00265   178.29785
   31    30 S   HC   HA31    27     1.09459   107.38010  -157.61804
   32    30 S   HC   HA32    28     1.09552   108.38008   -40.63129
   33    29 S   CT   _C19    36     1.83104    99.70837   179.60833
   34    33 S   F    F1__    37     1.36383   109.29198   -44.47805
   35    33 S   F    F2__    38     1.36615   107.93468    68.79538
   36    30 S   CO3  _C3_    29     1.52714   113.55939    82.07715
   37    36 S   O2Z  _O31    30     1.26488   116.00033    37.01625
   38    36 S   O2Z  _O32    31     1.26327   115.24239  -141.92282
   39    33 S   CA   _C18    39     1.51416   109.58610  -168.66643
   40    39 S   CA   _C17    40     1.40511   119.17383   -90.97754
   41    40 S   HA   _H21    41     1.08778   119.55563    -1.34261
   42    40 S   CA   _C16    42     1.39667   120.23965   177.98084
   43    42 S   CA   _C15    43     1.39225   120.94933     0.90049
   44    43 S   HA   _H20    44     1.08593   121.60206   178.85636
   45    42 S   SY   _S1_    79     1.76746   119.19300   178.92407
   46    45 S   OY   _O35    80     1.44889   108.06201  -162.34009
   47    45 S   OY   _O36    81     1.44881   107.64086   -30.08182
   48    43 S   CA   _C14    45     1.39382   119.29627    -1.01336
   49    48 S   HA   _H19    46     1.08639   118.83417   178.55490
   50    45 S   NS   _N8_    82     1.70034   100.54339    83.90517
   51    50 S   H    _H22    83     1.02603   116.63637  -110.37931
   52    50 S   H    _H23    84     1.02601   116.61608   110.26127
   53    39 S   CA   _C13    47     1.40722   122.20493    86.30827
   54    53 S   OS   _O34    48     1.37132   118.54966     4.99293
   55    54 S   CT   _C12    49     1.43317   113.46211  -124.33374
   56    55 S   HC   _H17    50     1.09700   110.29888    52.70817
   57    55 S   HC   _H18    51     1.09541   110.45191   -68.19466
   58    55 S   CT   _C11    52     1.52717   108.27491   173.25733
   59    58 S   HC   _H15    53     1.09738   109.56568    58.81015
   60    58 S   HC   _H16    54     1.09620   110.10462   175.57889
   61    58 S   CT   _C10    55     1.52647   112.45868   -61.95676
   62    61 S   HC   _H13    56     1.09538   109.87584    54.25210
   63    61 S   HC   _H14    57     1.09570   109.84448   -65.13441
   64    61 S   OS   _O33    58     1.43676   108.27496   175.48959
   65    64 S   CA   _C7_    59     1.36986   110.19196  -165.03212
   66    65 S   CA   _C6_    60     1.39651   120.20051   -97.70452
   67    66 S   NAP  _N5_    61     1.34372   118.12669   179.36204
   68    67 S   H    _H8_    62     1.02276   119.82670  -177.62595
   69    66 S   CT   _C5_    72     1.49777   124.35070    -2.23037
   70    69 S   HC   _H6_    73     1.09396   110.82846    22.80274
   71    69 S   HC   _H7_    74     1.09572   109.26507   139.62331
   72    67 S   CQ   _C9_    63     1.34298   121.50275     1.45535
   73    69 S   CT   _C4_    75     1.52035   111.40736   -99.20586
   74    73 S   HC   _H3_    76     1.09535   111.30817   -60.00497
   75    73 S   HC   _H4_    77     1.09458   110.22539  -179.86438
   76    73 S   HC   _H5_    78     1.09535   111.17562    60.28424
   77    72 S   NB   _N4_    64     1.35837   122.51421     0.75873
   78    72 S   NE   _N6_    69     1.37881   117.78400  -179.55721
   79    78 S   H    _H9_    70     1.01068   118.85435   178.64131
   80    78 S   H    _H10    71     1.01244   121.86768     3.35509
   81    65 S   CA   _C8_    65     1.39598   120.87488    85.54603
   82    81 S   NE   _N7_    66     1.39018   120.44768    -1.84547
   83    82 S   H    _H11    67     1.01213   118.83227    27.07975
   84    82 S   H    _H12    68     1.01180   117.45279  -179.34062
  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   6   5   4   3
   9   4   3   2   1   1  10  11   4  11   9   4   6   4   3   4
   2   2   1   1   5   7   9   5   4   7   5   4   6   3   2   7
  13  14  11   4   8   5   4   6   3   2   1   1   7   3   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    53  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    48    53    54  
   35    39    40    53  
   39    40    53  
   37    38  
   38  
    0  
   40    41    42    43    48    49    53    54    55    45  
   41    42    43    44    48    53    54    45    46    47    50  
   42    43    53    45  
   43    44    48    49    53    45    46    47    50    51    52  
   44    48    49    53    54    45    46    47    50  
   48    49    53    45  
   46    47    50    51    52    48  
   47    50    51    52  
   50    51    52  
   49    53    54    55  
   53    54  
   51    52  
   52  
    0  
   54    55    56    57    58  
   55    56    57    58    59    60    61  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    81  
   63    64    65  
   64    65  
   65    66    67    77    81    82    69  
   66    67    68    72    77    81    82    83    84    69    70    71    73  
   67    68    72    77    81    82    78    69    70    71    73    74    75    76  
   68    72    77    81    78    79    80    69    70    71    73  
   72    77    78    69  
   70    71    73    74    75    76    72    81  
   71    73    74    75    76  
   73    74    75    76  
   77    81    82    78    79    80  
   74    75    76  
   75    76  
   76  
    0  
   81    82    83    84    78    79    80  
   79    80    81  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   46   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.2500   0.1700  -0.767800   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.278800   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.532000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -1.134900   1.9750   1.7500   0.001000000  -0.511443539
   68   0.0000   0.0000   0.431900   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   1.021200   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2800   0.1700  -0.709200   1.8650   1.6500   0.001000000  -0.511443539
   78   3.3000   0.1700  -0.420000   1.8650   1.6500   0.051222218  -2.220205820
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700   1.022800   2.0020   1.7750   0.001000000  -0.843144165
   82   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   83   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    53   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    45   225.000  1.779
   43    44   367.000  1.080
   43    48   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   450.000  1.364
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   320.000  1.410
   64    65   450.000  1.364
   65    66   469.000  1.400
   65    81   469.000  1.400
   66    67   485.000  1.342
   66    69   317.000  1.510
   67    68   475.000  1.020
   67    72   535.000  1.326
   72    77   502.000  1.324
   72    78   410.000  1.375
   77    81   483.000  1.339
   81    82   481.000  1.340
   82    83   434.000  1.010
   82    84   434.000  1.010
   78    79   434.000  1.010
   78    80   434.000  1.010
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   45    46   735.000  1.471
   45    47   735.000  1.471
   45    50   245.000  1.722
   50    51   500.000  1.020
   50    52   500.000  1.020
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    53    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    53    48    63.00000  120.00000
   39    53    54    70.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    45    65.00000  117.06700
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    48    63.00000  120.00000
   42    45    46   100.00000  107.67100
   42    45    47   100.00000  107.67100
   42    45    50    95.00000  101.59200
   43    48    49    35.00000  120.00000
   43    48    53    63.00000  120.00000
   48    43    44    35.00000  120.00000
   48    53    54    70.00000  120.00000
   53    39    40    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    54    55    75.00000  111.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    50.00000  109.50000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    75.00000  111.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    70.00000  120.00000
   64    65    81    70.00000  120.00000
   65    66    67    70.00000  119.29800
   65    66    69    70.00000  120.00000
   65    81    77    70.00000  124.00000
   65    81    82    70.00000  120.10000
   66    67    68    45.00000  117.56800
   66    67    72    80.00000  116.44700
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    73    70.00000  112.17500
   67    72    77    80.00000  118.80000
   67    72    78    85.00000  116.09700
   72    67    68    45.00000  118.71300
   72    77    81    70.00000  118.60000
   72    78    79    50.00000  113.31100
   72    78    80    50.00000  113.31100
   77    81    82    80.00000  117.25000
   81    65    66    63.00000  120.00000
   81    82    83    35.00000  113.50000
   81    82    84    35.00000  113.50000
   84    82    83    35.00000  109.00000
   78    72    77    85.00000  116.09700
   80    78    79    35.00000  109.00000
   69    66    67    70.00000  116.21300
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   45    42    43    65.00000  117.06700
   45    50    51    50.00000  110.93800
   45    50    52    50.00000  110.93800
   47    45    46   115.00000  120.17200
   50    45    46   115.00000  107.22500
   50    45    47   115.00000  107.22500
   52    50    51    35.00000  109.80100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    53  -0.16000  1.0 1.0
   29    33    39    53  -0.03200 -1.0 2.0
   29    33    39    53   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    53    48   3.62500 -1.0 2.0
   33    39    53    54   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    53   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    53   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    45   3.62500 -1.0 2.0
   39    53    54    55   1.63200 -1.0 2.0
   40    39    53    48   3.62500 -1.0 2.0
   40    39    53    54   3.62500 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42   -43    48   3.62500 -1.0 2.0
   40    42    45    46   0.19500  1.0 1.0
   40    42    45    46   0.12000 -1.0 2.0
   40    42    45    47   0.19500  1.0 1.0
   40    42    45    47   0.12000 -1.0 2.0
   40    42    45    50  -0.49050  1.0 1.0
   40    42    45    50   0.22250 -1.0 2.0
   40    42    45    50  -0.39350  1.0 3.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   42    43    48    49   3.62500 -1.0 2.0
   42    43    48    53   3.62500 -1.0 2.0
   42    45    50    51   1.01100  1.0 1.0
   42    45    50    51  -0.22250 -1.0 2.0
   42    45    50    51   1.33750  1.0 3.0
   42    45    50    52   1.01100  1.0 1.0
   42    45    50    52  -0.22250 -1.0 2.0
   42    45    50    52   1.33750  1.0 3.0
   43    42    45    46   0.19500  1.0 1.0
   43    42    45    46   0.12000 -1.0 2.0
   43    42    45    47   0.19500  1.0 1.0
   43    42    45    47   0.12000 -1.0 2.0
   43    42    45    50  -0.49050  1.0 1.0
   43    42    45    50   0.22250 -1.0 2.0
   43    42    45    50  -0.39350  1.0 3.0
   43    48   -53    39   3.62500 -1.0 2.0
   43    48    53    54   3.62500 -1.0 2.0
   44    43    48    49   3.62500 -1.0 2.0
   44    43    48    53   3.62500 -1.0 2.0
   48    53    54    55   1.63200 -1.0 2.0
   49    48    53    39   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   53    39    40    41   3.62500 -1.0 2.0
   53    39   -40    42   3.62500 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57   0.08050  1.0 3.0
   53    54    55    58  -0.32850  1.0 1.0
   53    54    55    58  -0.35800 -1.0 2.0
   53    54    55    58   0.33950  1.0 3.0
   54    55    58    59   0.23400  1.0 3.0
   54    55    58    60   0.23400  1.0 3.0
   54    55    58    61   0.62750  1.0 1.0
   54    55    58    61  -0.30950 -1.0 2.0
   54    55    58    61   0.27300  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    64   0.62750  1.0 1.0
   55    58    61    64  -0.30950 -1.0 2.0
   55    58    61    64   0.27300  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    64    65  -0.32850  1.0 1.0
   58    61    64    65  -0.35800 -1.0 2.0
   58    61    64    65   0.33950  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.23400  1.0 3.0
   61    64    65    66   1.63200 -1.0 2.0
   61    64    65    81   1.63200 -1.0 2.0
   62    61    64    65   0.08050  1.0 3.0
   63    61    64    65   0.08050  1.0 3.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    69   3.62500 -1.0 2.0
   64    65    81    77   3.62500 -1.0 2.0
   64    65    81    82   3.62500 -1.0 2.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    72   3.62500 -1.0 2.0
   65    66    69    70   0.00000  1.0 1.0
   65    66    69    71   0.00000  1.0 1.0
   65    66    69    73   0.04150 -1.0 2.0
   65    81    82    83   1.00000 -1.0 2.0
   65    81    82    84   1.00000 -1.0 2.0
   66    65    81    77   3.62500 -1.0 2.0
   66    65    81    82   3.62500 -1.0 2.0
   66    67   -72    77   3.62500 -1.0 2.0
   66    67    72    78   3.62500 -1.0 2.0
   66    69    73    74   0.43200  1.0 3.0
   66    69    73    75   0.43200  1.0 3.0
   66    69    73    76   0.43200  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    73   0.29300  1.0 1.0
   67    66    69    73  -1.19700 -1.0 2.0
   67    66    69    73   0.60900  1.0 3.0
   67    72    77    81   3.62500 -1.0 2.0
   67    72    78    79   1.75000 -1.0 2.0
   67    72    78    80   1.75000 -1.0 2.0
   68    67    72    77   3.62500 -1.0 2.0
   68    67    72    78   3.62500 -1.0 2.0
   72    77   -81    65   3.62500 -1.0 2.0
   72    77    81    82   3.62500 -1.0 2.0
   77    72    78    79   1.75000 -1.0 2.0
   77    72    78    80   1.75000 -1.0 2.0
   77    81    82    83   1.75000 -1.0 2.0
   77    81    82    84   1.75000 -1.0 2.0
   81    65   -66    67   3.62500 -1.0 2.0
   81    65    66    69   3.62500 -1.0 2.0
   78    72    77    81   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    72   3.62500 -1.0 2.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    76   0.15000  1.0 3.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    48   3.62500 -1.0 2.0
   46    45    50    51   1.12100  1.0 1.0
   46    45    50    51   0.54800 -1.0 2.0
   46    45    50    51  -0.29400  1.0 3.0
   46    45    50    52   1.12100  1.0 1.0
   46    45    50    52   0.54800 -1.0 2.0
   46    45    50    52  -0.29400  1.0 3.0
   47    45    50    51   1.12100  1.0 1.0
   47    45    50    51   0.54800 -1.0 2.0
   47    45    50    51  -0.29400  1.0 3.0
   47    45    50    52   1.12100  1.0 1.0
   47    45    50    52   0.54800 -1.0 2.0
   47    45    50    52  -0.29400  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
   37    30    36    38  10.50000 -1.0 2.0
   40    53    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   53    49    48    43   1.10000 -1.0 2.0
   48    54    53    39   4.00000 -1.0 2.0
   66    81    65    64   4.00000 -1.0 2.0
   69    67    66    65   4.00000 -1.0 2.0
   68    66    67    72   1.00000 -1.0 2.0
   77    78    72    67   4.00000 -1.0 2.0
   77    82    81    65   4.00000 -1.0 2.0
   84    81    82    83   1.00000 -1.0 2.0
   80    72    78    79   1.00000 -1.0 2.0
   52    45    50    51   1.00000 -1.0 2.0
END
