* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    152    238     458
    1     0 S   NP   _N1_     1    28.40345    96.07054   -24.01960
    2     1 S   H    _HN1     2     1.02777   110.64059  -106.62627
    3     1 S   H    _H1_     3     1.02958    76.45990    -1.84430
    4     1 S   H    _H2_     4     1.02836    31.72513   162.52080
    5     1 S   CT   _CA1     5     1.50139   131.04268   103.55420
    6     5 S   HC   _HA1     6     1.09575   105.20063    88.00647
    7     5 S   CO3  _C1_     7     1.53772   112.34485   -32.16366
    8     7 S   O2Z  _O11     8     1.26367   114.98940   -43.93022
    9     7 S   O2Z  _O12     9     1.26229   114.92412   135.08527
   10     5 S   CT   _CB1    10     1.53085   107.41511  -154.09552
   11    10 S   HC   HB11    11     1.09830   109.29902   -50.36368
   12    10 S   HC   HB12    12     1.09815   110.43964    66.17554
   13    10 S   CT   _CG1    13     1.53037   112.70735  -171.42146
   14    13 S   HC   HG11    14     1.09590   110.53107   -65.17257
   15    13 S   HC   HG12    15     1.09658   109.89196    54.05382
   16    13 S   C    _CD1    16     1.51844   112.23577   174.40444
   17    16 S   O    _OE1    17     1.22766   123.27285     2.37833
   18    16 S   N    _N2_    18     1.38578   111.81689  -177.65465
   19    18 S   H    _HN2    19     1.01574   119.04838     4.15954
   20    18 S   CT1  _CA2    20     1.45718   122.70556   177.41548
   21    20 S   HC   _HA2    21     1.09735   108.79204    24.40338
   22    20 S   C    _C2_    22     1.52858   107.35016   -92.43951
   23    22 S   O    _O2_    23     1.22936   123.08068   -29.61001
   24    20 S   CT   _CB2    32     1.53096   112.29808   147.54949
   25    24 S   HC   HB21    33     1.09588   110.68419    49.61999
   26    24 S   HC   HB22    34     1.09427   110.00634   168.59012
   27    22 S   N    _N3_    24     1.38553   112.35589   153.18252
   28    27 S   H    _HN3    25     1.01589   120.31973    -2.69174
   29    24 S   S    _SG2    35     1.82481   110.85470   -71.09333
   30    27 S   CT   _CA3    26     1.45335   122.63805   178.53206
   31    30 S   HC   HA31    27     1.09561   107.70069   -57.74863
   32    30 S   HC   HA32    28     1.09554   107.73921    58.62616
   33    29 S   CT   _C9_    36     1.83497    99.10287  -174.82987
   34    33 S   HC   _H6_    37     1.09489   105.02835   -54.80670
   35    30 S   CO3  _C3_    29     1.52906   114.19463  -179.66312
   36    35 S   O2Z  _O31    30     1.26389   116.04193    -3.81993
   37    35 S   O2Z  _O32    31     1.26394   114.49718   176.16891
   38    33 S   CT   _C8_    38     1.53577   111.12805  -172.94659
   39    38 S   HC   _H5_    39     1.10148   108.66614   -39.37221
   40    38 S   CT   _C7_    40     1.54927   110.22341  -155.91667
   41    40 S   HC   _H4_    41     1.09841   108.38949   179.62622
   42    38 S   CO3  _C17    81     1.54574   116.15211    78.40808
   43    42 S   O2Z  _O41    82     1.26511   114.63307  -170.81123
   44    42 S   O2Z  _O40    83     1.26187   116.44851     8.91760
   45    40 S   CT   _C6_    42     1.55376   106.11270    64.73619
   46    45 S   HC   _H3_    43     1.10131   105.92121    71.91608
   47    40 S   CT   _C18    75     1.54734   111.97761   -60.86286
   48    47 S   HC   _H22    76     1.09532   110.95082   -30.56019
   49    47 S   HC   _H23    77     1.09502   111.62794    88.80889
   50    45 S   CO   _C10    44     1.55395   112.65439   -44.42616
   51    50 S   HC   _H7_    45     1.09647   108.66362  -127.40862
   52    45 S   CM   _C5_    70     1.51293   113.70196  -171.66473
   53    52 S   HC   _H15    71     1.08735   117.78427    70.21810
   54    47 S   CO4  _C19    78     1.51477   114.42436  -148.99485
   55    54 S   O    _O42    79     1.22577   125.41305     3.80750
   56    54 S   HC   _H24    80     1.10397   114.52697  -177.21617
   57    33 S   OS   _O33    46     1.43166   112.50043    58.45305
   58    50 S   OS1  _O34    47     1.43569   108.35683   116.16723
   59    52 S   CM   _C4_    72     1.33846   124.07508  -110.57003
   60    59 S   HC   _H13    73     1.08464   120.45771  -179.73681
   61    59 S   HC   _H14    74     1.08446   121.64763     0.56510
   62    58 S   CO1  _C11    48     1.43272   113.28041   163.86779
   63    62 S   HC   _H8_    49     1.09586   108.59685    54.20211
   64    62 S   CT   _C12    50     1.53391   107.82236   173.66636
   65    64 S   HC   _H9_    51     1.09682   109.90616    55.90916
   66    64 S   CT   _C13    52     1.53144   110.77111   177.42245
   67    66 S   HC   _H10    53     1.09626   110.15844    73.37767
   68    64 S   OH5  _O39    68     1.42755   110.71110   -61.11479
   69    68 S   HO   _H21    69     0.97202   108.34847   -52.98072
   70    66 S   CT   _C14    54     1.53276   111.34943   -49.53496
   71    70 S   HC   _H11    55     1.09712   108.85248   -72.41289
   72    66 S   OH5  _O38    66     1.43025   109.52656  -170.84354
   73    72 S   HO   _H20    67     0.97217   108.09855    61.10601
   74    70 S   CT   _C15    56     1.53318   111.06444    48.68975
   75    74 S   HC   _H12    57     1.09770   111.16923    65.27367
   76    70 S   OH5  _O37    64     1.42561   109.69967   170.99342
   77    76 S   HO   _H19    65     0.97728   108.00888   -62.22724
   78    62 S   OS1  _O35    58     1.43000   111.32394   -66.82835
   79    74 S   CT   _C16    59     1.52941   111.48223  -173.98086
   80    79 S   HC   _H16    60     1.09497   111.01024    68.48390
   81    79 S   HC   _H17    61     1.09406   111.46345   -53.86433
   82    79 S   OH5  _O36    62     1.42522   109.12625  -172.89334
   83    82 S   HO   _H18    63     0.97233   106.97023   179.83568
  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
  14   6   2   1   1  15   8  19   9   5   1   1  15   8   7   4
   3  10   4   6   3   2   1   1   2   8   2   1   1  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    50    51    57    58    47    42    43    44  
   38    39    40    50    57    42  
   36    37  
   37  
    0  
   39    40    41    45    46    50    57    52    47    48    49    54    42    43    44  
   40    41    45    57    47    42    43    44  
   41    45    46    50    51    57    58    52    53    59    47    48    49    54    55    56    42    43    44  
   45    46    50    52    47    48    49    54    42  
   43    44    45    47    57  
   44  
    0  
   46    50    51    57    58    62    52    53    59    60    61    47    48    49    54  
   50    51    57    58    52    53    59    47  
   48    49    54    55    56    50    52  
   49    54    55    56  
   54    55    56  
   51    57    58    62    63    64    78    52    53    59  
   57    58    62    52  
   53    59    60    61    57    58  
   59    60    61  
   55    56  
   56  
    0  
   58    62  
   62    63    64    65    66    74    78    68  
   60    61  
   61  
    0  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    57   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    47   268.000  1.529
   45    46   340.000  1.090
   45    50   250.000  1.527
   45    52   317.000  1.510
   50    51   340.000  1.090
   50    57   320.000  1.380
   50    58   320.000  1.380
   58    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   52    53   340.000  1.080
   52    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    56   340.000  1.090
   42    43   656.000  1.250
   42    44   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  109.69300
   33    57    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    50    75.00000  109.43000
   40    45    52    70.00000  112.02700
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    54    63.00000  111.10000
   45    40    41    37.50000  110.70000
   45    50    51    45.00000  112.01100
   45    50    57    90.00000  108.56700
   45    50    58    90.00000  108.56700
   45    52    53    35.00000  117.00000
   45    52    59    70.00000  124.00000
   50    45    46    45.00000  108.72000
   50    58    62    90.00000  112.10700
   57    33    34    35.00000  109.50000
   57    33    38    50.00000  109.50000
   57    50    51    35.00000  109.50000
   58    50    51    35.00000  109.50000
   58    50    57    92.60000  111.55000
   58    62    63    60.00000  105.75400
   58    62    64    90.00000  109.70700
   58    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   52    45    46    35.00000  109.50000
   52    45    50    70.00000  112.02700
   52    59    60    35.00000  120.00000
   52    59    61    35.00000  120.00000
   59    52    53    35.00000  120.00000
   61    59    60    35.00000  117.00000
   47    40    41    37.50000  110.70000
   47    40    45    58.35000  112.70000
   47    54    55    80.00000  120.40000
   47    54    56    35.00000  115.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   56    54    55    35.00000  123.00000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  109.69300
   44    42    43    80.00000  126.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50   0.06250  1.0 1.0
   38    33    57    50  -0.01100 -1.0 2.0
   38    33    57    50   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    50   3.97050  1.0 1.0
   38    40    45    52   0.34400  1.0 1.0
   38    40    45    52   0.09450 -1.0 2.0
   38    40    45    52   0.11100  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40    47    49   0.15000  1.0 3.0
   38    40    47    54  -0.95700  1.0 1.0
   38    40    47    54  -0.18200 -1.0 2.0
   38    40    47    54   0.29450  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.41150 -1.0 2.0
   40    38    42    44   0.41150 -1.0 2.0
   40    45    50    51   0.15000  1.0 3.0
   40    45    50    57   0.62750  1.0 1.0
   40    45    50    57  -0.30950 -1.0 2.0
   40    45    50    57   0.27300  1.0 3.0
   40    45    50    58   0.62750  1.0 1.0
   40    45    50    58  -0.30950 -1.0 2.0
   40    45    50    58   0.27300  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    59   0.09850  1.0 1.0
   40    45    52    59   0.15250 -1.0 2.0
   40    45    52    59  -0.50650  1.0 3.0
   40    47    54    55   0.30150 -1.0 2.0
   40    47    54    56   0.74550  1.0 1.0
   40    47    54    56  -0.00500 -1.0 2.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    50   0.15000  1.0 3.0
   41    40    45    52   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    54  -0.11250  1.0 3.0
   45    40    47    48   0.15000  1.0 3.0
   45    40    47    49   0.15000  1.0 3.0
   45    40    47    54  -0.95700  1.0 1.0
   45    40    47    54  -0.18200 -1.0 2.0
   45    40    47    54   0.29450  1.0 3.0
   45    50   -57    33   0.06250  1.0 1.0
   45    50   -57    33  -0.01100 -1.0 2.0
   45    50   -57    33   0.28050  1.0 3.0
   45    50    58    62   0.06250  1.0 1.0
   45    50    58    62  -0.01100 -1.0 2.0
   45    50    58    62   0.28050  1.0 3.0
   45    52    59    60   7.00000 -1.0 2.0
   45    52    59    61   7.00000 -1.0 2.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    57   0.23400  1.0 3.0
   46    45    50    58   0.23400  1.0 3.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    59   0.00000  1.0 1.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    59   0.09850  1.0 1.0
   50    45    52    59   0.15250 -1.0 2.0
   50    45    52    59  -0.50650  1.0 3.0
   50    58    62    63   0.37050  1.0 3.0
   50    58    62    64   0.06250  1.0 1.0
   50    58    62    64  -0.01100 -1.0 2.0
   50    58    62    64   0.28050  1.0 3.0
   50    58    62    78  -0.12700  1.0 1.0
   50    58    62    78  -1.16200 -1.0 2.0
   50    58    62    78   0.58800  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    62   0.37050  1.0 3.0
   57    33    38    39   0.23400  1.0 3.0
   57    33   -38    40   0.62750  1.0 1.0
   57    33   -38    40  -0.30950 -1.0 2.0
   57    33   -38    40   0.27300  1.0 3.0
   57    33    38    42  -3.35100  1.0 1.0
   57    33    38    42  -0.37050 -1.0 2.0
   57    33    38    42   0.22400  1.0 3.0
   57    50    58    62  -0.53350  1.0 1.0
   57    50    58    62  -0.78350 -1.0 2.0
   57    50    58    62   0.33750  1.0 3.0
   58    50    57    33  -0.81800  1.0 1.0
   58    62    64    65   0.23400  1.0 3.0
   58    62    64    66   0.62750  1.0 1.0
   58    62    64    66  -0.30950 -1.0 2.0
   58    62    64    66   0.27300  1.0 3.0
   58    62    64    68   1.51850  1.0 1.0
   58    62    78    74  -0.70400  1.0 1.0
   58    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   52    45    50    51   0.15000  1.0 3.0
   52    45    50    57   0.61850  1.0 1.0
   52    45    50    57  -0.22750 -1.0 2.0
   52    45    50    57   0.15300  1.0 3.0
   52    45    50    58   0.61850  1.0 1.0
   52    45    50    58  -0.22750 -1.0 2.0
   52    45    50    58   0.15300  1.0 3.0
   53    52    59    60   7.00000 -1.0 2.0
   53    52    59    61   7.00000 -1.0 2.0
   47    40    45    46   0.15000  1.0 3.0
   47    40    45    50   3.97050  1.0 1.0
   47    40    45    52   0.34400  1.0 1.0
   47    40    45    52   0.09450 -1.0 2.0
   47    40    45    52   0.11100  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    56   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
   49    47    54    56   0.00000  1.0 1.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    45  -1.63150  1.0 1.0
   42    38    40    45  -0.43550 -1.0 2.0
   42    38    40    45   0.24500  1.0 3.0
   42    38    40    47  -1.63150  1.0 1.0
   42    38    40    47  -0.43550 -1.0 2.0
   42    38    40    47   0.24500  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   45    53    52    59  15.00000 -1.0 2.0
   60    61    59    52  15.00000 -1.0 2.0
   47    56    54    55  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
