* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    154    256     453
    1     0 S   NP   _N1_     1    28.78365    95.17586   -19.85603
    2     1 S   H    _HN1     2     1.02769    81.73750   -66.07760
    3     1 S   H    _H1_     3     1.02968    95.59151    41.72963
    4     1 S   H    _H2_     4     1.02825    34.33955   153.91751
    5     1 S   CT   _CA1     5     1.50219   143.40088   177.33707
    6     5 S   HC   _HA1     6     1.09589   105.09158    45.20885
    7     5 S   CO3  _C1_     7     1.53800   112.47777   -74.49955
    8     7 S   O2Z  _O11     8     1.26349   115.01452   -38.25528
    9     7 S   O2Z  _O12     9     1.26267   114.92152   140.44423
   10     5 S   CT   _CB1    10     1.53071   107.28510   162.81823
   11    10 S   HC   HB11    11     1.09801   108.97142   -51.42102
   12    10 S   HC   HB12    12     1.09814   110.46265    64.95671
   13    10 S   CT   _CG1    13     1.52975   112.86861  -172.82146
   14    13 S   HC   HG11    14     1.09506   110.12030   -66.52383
   15    13 S   HC   HG12    15     1.09646   110.23049    52.37832
   16    13 S   C    _CD1    16     1.51884   112.27122   171.92914
   17    16 S   O    _OE1    17     1.22769   123.02567   -19.55397
   18    16 S   N    _N2_    18     1.38550   111.87599   162.63900
   19    18 S   H    _HN2    19     1.01578   119.09805    -1.87649
   20    18 S   CT1  _CA2    20     1.46226   123.50978   178.55653
   21    20 S   HC   _HA2    21     1.09734   109.39144   -11.62419
   22    20 S   C    _C2_    22     1.53533   108.35148  -127.07516
   23    22 S   O    _O2_    23     1.23032   122.31647  -148.27593
   24    20 S   CT   _CB2    32     1.53376   111.36068   110.69615
   25    24 S   HC   HB21    33     1.09379   109.34616    53.83110
   26    24 S   HC   HB22    34     1.09508   110.30449   171.95670
   27    22 S   N    _N3_    24     1.38548   113.44641    39.37042
   28    27 S   H    _HN3    25     1.01518   118.82132    -0.87312
   29    24 S   S    _SG2    35     1.83232   111.42121   -69.56437
   30    27 S   CT   _CA3    26     1.45419   123.44650   175.12866
   31    30 S   HC   HA31    27     1.09526   109.19894    25.35351
   32    30 S   HC   HA32    28     1.09496   107.13959   142.33726
   33    29 S   CT   _C9_    36     1.84504   102.39038   144.91011
   34    33 S   OM   _O34    37     1.31937   108.97898  -179.18076
   35    30 S   CO3  _C3_    29     1.52910   113.11287   -98.10381
   36    35 S   O2Z  _O31    30     1.26403   115.40333   -45.09704
   37    35 S   O2Z  _O32    31     1.26355   114.98872   135.85222
   38    33 S   CM   _C6_    38     1.53796   112.76934   -57.79183
   39    38 S   CMA  _C7_    39     1.36018   111.48276   128.66166
   40    39 S   OM   _O33    40     1.25616   135.47680   179.23844
   41    38 S   CO4  _C5_    74     1.50454   122.37557   -52.73272
   42    41 S   O    _O35    75     1.23281   121.06451    -6.03585
   43    39 S   NE   _N4_    41     1.40137   109.30057    -0.88911
   44    41 S   CT   _C4_    76     1.50760   119.84028   173.81835
   45    44 S   HC   _H6_    77     1.09240   110.42639    67.31363
   46    44 S   HC   _H7_    78     1.09276   110.48658   -56.67318
   47    44 S   HC   _H8_    79     1.09498   109.04594  -174.47845
   48    33 S   CT   _C8_    42     1.55999   111.35653    56.12088
   49    48 S   HC   _H3_    43     1.09756   110.81216   -20.35543
   50    48 S   CT   _C10    44     1.53442   122.37933   110.10746
   51    50 S   HC   _H4_    45     1.09664   112.28880    39.38635
   52    50 S   C5B  _C11    46     1.49058   114.52467   -86.02329
   53    50 S   CT   _C20    63     1.58240   100.51368   153.93339
   54    53 S   HC   _H5_    64     1.09942   108.47655  -159.66680
   55    52 S   C5A  _C12    47     1.37589   133.42412    85.42692
   56    55 S   HA   _H9_    48     1.08120   131.69658    -1.14569
   57    43 S   CT   _C21    65     1.47843   132.75159   148.54448
   58    55 S   NA   _N5_    49     1.38021   107.86320   178.70987
   59    58 S   H    _H10    50     1.01033   124.74205   179.90935
   60    57 S   CT   _C22    66     1.54288   110.44039   -49.26554
   61    60 S   HC   _H16    67     1.09510   111.85420    69.24834
   62    60 S   HC   _H17    68     1.09502   112.16937   -50.86561
   63    60 S   HC   _H18    69     1.09594   110.71972  -171.43888
   64    57 S   CT   _C23    70     1.53219   112.02200    72.87032
   65    64 S   HC   _H19    71     1.09520   111.80619   -73.12270
   66    64 S   HC   _H20    72     1.09559   110.92122   167.89152
   67    64 S   HC   _H21    73     1.09490   112.09262    46.44116
   68    58 S   CN   _C13    51     1.37779   110.27759    -0.15702
   69    68 S   CA   _C18    52     1.39565   133.00217  -179.95154
   70    69 S   HA   _H13    53     1.08394   121.97366     0.31341
   71    69 S   CA   _C17    54     1.40652   116.65585  -179.23613
   72    71 S   HA   _H12    55     1.08798   118.94028   179.44362
   73    71 S   CA   _C16    56     1.40337   121.98494    -0.02798
   74    73 S   HA   _H11    57     1.08685   119.43664   178.87830
   75    73 S   CA   _C15    58     1.39740   120.48659    -0.80721
   76    52 S   CR3  _C14    59     1.40820   120.05542   -95.92338
   77    75 S   CT   _C19    60     1.50494   125.44562   176.54679
   78    77 S   HC   _H14    61     1.09605   107.27061   -80.07180
   79    77 S   HC   _H15    62     1.09613   109.39747    36.80258
  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   9   5   4   3
  15   7   2   1   1  13  12   4   7   4  17   3   2   1   1  12
   5  16   7  13  17   7   7   4  12   7   3   8   3   2   1   4
   2   1   1   8   7   4   6   3   6   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    48    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    49    50    51    52    53    57    41    42    44  
   38    39    43    48    49    50    41  
   36    37  
   37  
    0  
   39    40    43    48    49    50    57    41    42    44    45    46    47  
   40    43    48    49    50    53    57    60    64    41    42    44  
   43    48    57    41  
   42    44    45    46    47    43    48  
   44    45    46    47  
   48    49    50    51    52    77    53    54    57    60    61    62    63    64    65    66    67  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    55    76    77    53    54    57    60    64  
   50    51    52    53    57  
   51    52    55    56    58    68    75    76    77    78    79    53    54    57    60    64  
   52    55    76    77    53    54    57  
   55    56    58    59    68    69    73    75    76    77    53    54    57  
   54    57    60    61    62    63    64    65    66    67    55    73    75    76    77    78    79  
   57    60    64    75    77    78    79  
   56    58    59    68    69    75    76  
   58    59    68    76  
   60    61    62    63    64    65    66    67    75    77    78    79  
   59    68    69    70    71    75    76  
   68    69    76  
   61    62    63    64    65    66    67    77  
   62    63    64  
   63    64  
   64  
   65    66    67    77  
   66    67  
   67  
    0  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    76  
   71    72    73    76  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.004100   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.235300   1.9750   1.7500   0.005000000  -0.741685710
   58   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   59   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   570.000  1.307
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   415.000  1.382
   43    48   382.000  1.448
   43    57   382.000  1.448
   48    49   340.000  1.090
   48    50   268.000  1.529
   50    51   340.000  1.090
   50    52   295.000  1.494
   50    53   268.000  1.529
   52    55   520.000  1.370
   52    76   400.000  1.418
   55    56   367.000  1.080
   55    58   427.000  1.381
   58    59   434.000  1.010
   58    68   450.000  1.364
   68    69   485.000  1.374
   68    76   480.000  1.377
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   490.000  1.398
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    53   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   57    60   268.000  1.529
   57    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   570.000  1.229
   41    44   317.000  1.522
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    48    43    80.00000  111.61500
   33    48    49    37.50000  110.70000
   33    48    50    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    75.00000  114.40000
   38    41    42    80.00000  123.72100
   38    41    44    65.00000  118.62400
   39    43    48    50.00000  121.00000
   39    43    57    50.00000  121.00000
   43    39    40   105.00000  113.92000
   43    48    49    35.00000  109.50000
   43    48    50    80.00000  111.61500
   43    57    53    80.00000  111.61500
   43    57    60    80.00000  111.61500
   43    57    64    80.00000  111.61500
   48    33    34    50.00000  109.50000
   48    33    38    70.00000  112.02700
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.62400
   48    50    53    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    55    55.00000  127.77900
   50    52    76    80.00000  105.07000
   50    53    77    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    57    58.35000  112.70000
   52    50    51    45.00000  111.11700
   52    55    56    35.00000  130.70000
   52    55    58    70.00000  106.30000
   52    76    68    80.00000  108.23900
   52    76    75    50.00000  136.08700
   55    58    59    35.00000  120.00000
   55    58    68    85.00000  109.59900
   58    55    56    35.00000  121.60000
   58    68    69    65.00000  126.13900
   58    68    76    90.00000  107.25500
   68    58    59    35.00000  121.00000
   68    69    70    40.00000  120.02000
   68    69    71    65.00000  119.97700
   68    76    75    70.00000  117.96600
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  112.88000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    53    70.00000  112.17500
   76    52    55    80.00000  108.23900
   76    68    69    70.00000  112.88000
   77    75    76    80.00000  105.07000
   77    53    54    37.50000  110.70000
   77    53    57    58.35000  112.70000
   79    77    78    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.62400
   53    77    78    37.50000  110.70000
   53    77    79    37.50000  110.70000
   53    57    60    58.35000  112.70000
   53    57    64    58.35000  112.70000
   57    43    48    50.00000  115.00000
   57    53    54    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    57    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   44    41    42    80.00000  120.40000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    44   0.25700  1.0 1.0
   33    38    41    44   0.66200 -1.0 2.0
   33    38    41    44   0.04450  1.0 3.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52  -0.03700  1.0 1.0
   33    48    50    52   0.37200 -1.0 2.0
   33    48    50    52  -0.47300  1.0 3.0
   33    48    50    53   0.56750  1.0 1.0
   33    48    50    53  -0.07550 -1.0 2.0
   33    48    50    53   0.20000  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    48    43   2.03850  1.0 1.0
   34    33    48    43  -0.40600 -1.0 2.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    50   0.62750  1.0 1.0
   34    33    48    50  -0.30950 -1.0 2.0
   34    33    48    50   0.27300  1.0 3.0
   38    33   -48    43   0.21700  1.0 1.0
   38    33   -48    43   0.68550 -1.0 2.0
   38    33   -48    43  -0.27950  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   0.34400  1.0 1.0
   38    33    48    50   0.09450 -1.0 2.0
   38    33    48    50   0.11100  1.0 3.0
   38    39   -43    48  -0.54700  1.0 1.0
   38    39   -43    48   1.23000 -1.0 2.0
   38    39    43    57  -0.54700  1.0 1.0
   38    39    43    57   1.23000 -1.0 2.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    46   0.00000  1.0 1.0
   38    41    44    47   0.00000  1.0 1.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    44  -0.33500  1.0 1.0
   39    38    41    44   1.06600 -1.0 2.0
   39    38    41    44  -0.14000  1.0 3.0
   39    43   -48    33   0.25450  1.0 1.0
   39    43   -48    33  -0.61700 -1.0 2.0
   39    43   -48    33  -0.23550  1.0 3.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    50   0.25450  1.0 1.0
   39    43    48    50  -0.61700 -1.0 2.0
   39    43    48    50  -0.23550  1.0 3.0
   39    43    57    53   0.25450  1.0 1.0
   39    43    57    53  -0.61700 -1.0 2.0
   39    43    57    53  -0.23550  1.0 3.0
   39    43    57    60   0.25450  1.0 1.0
   39    43    57    60  -0.61700 -1.0 2.0
   39    43    57    60  -0.23550  1.0 3.0
   39    43    57    64   0.25450  1.0 1.0
   39    43    57    64  -0.61700 -1.0 2.0
   39    43    57    64  -0.23550  1.0 3.0
   40    39    43    48   1.00000 -1.0 2.0
   40    39    43    57   1.00000 -1.0 2.0
   43    48    50    51   0.22950  1.0 3.0
   43    48    50    52   0.08550  1.0 1.0
   43    48    50    52   1.07500 -1.0 2.0
   43    48    50    52  -0.10950  1.0 3.0
   43    48   -50    53   1.26750  1.0 1.0
   43    48   -50    53  -0.00950 -1.0 2.0
   43    48   -50    53   0.30600  1.0 3.0
   43    57    60    61   0.22950  1.0 3.0
   43    57    60    62   0.22950  1.0 3.0
   43    57    60    63   0.22950  1.0 3.0
   43    57    64    65   0.22950  1.0 3.0
   43    57    64    66   0.22950  1.0 3.0
   43    57    64    67   0.22950  1.0 3.0
   48    33   -38    39   0.09850  1.0 1.0
   48    33   -38    39   0.15250 -1.0 2.0
   48    33   -38    39  -0.50650  1.0 3.0
   48    33    38    41   0.09700  1.0 1.0
   48    33    38    41   0.15600 -1.0 2.0
   48    33    38    41  -0.50800  1.0 3.0
   48    43   -57    53   0.00000  1.0 1.0
   48    43    57    60   0.00000  1.0 1.0
   48    43    57    64   0.00000  1.0 1.0
   48    50    52    55   0.04150 -1.0 2.0
   48    50    52    76   0.04150 -1.0 2.0
   48    50    53    77   0.56750  1.0 1.0
   48    50    53    77  -0.07550 -1.0 2.0
   48    50    53    77   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50   -53    57   0.56750  1.0 1.0
   48    50   -53    57  -0.07550 -1.0 2.0
   48    50   -53    57   0.20000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   50    52    55    56   3.62500 -1.0 2.0
   50    52    55    58   3.62500 -1.0 2.0
   50    52    76    68   3.62500 -1.0 2.0
   50    52    76    75   3.62500 -1.0 2.0
   50    53   -57    43   1.26750  1.0 1.0
   50    53   -57    43  -0.00950 -1.0 2.0
   50    53   -57    43   0.30600  1.0 3.0
   50    53    57    60   0.56750  1.0 1.0
   50    53    57    60  -0.07550 -1.0 2.0
   50    53    57    60   0.20000  1.0 3.0
   50    53    57    64   0.56750  1.0 1.0
   50    53    57    64  -0.07550 -1.0 2.0
   50    53    57    64   0.20000  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    52    76   0.00000  1.0 1.0
   51    50    53    77   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    77  -0.03700  1.0 1.0
   52    50    53    77   0.37200 -1.0 2.0
   52    50    53    77  -0.47300  1.0 3.0
   52    50    53    54   0.43200  1.0 3.0
   52    50    53    57  -0.03700  1.0 1.0
   52    50    53    57   0.37200 -1.0 2.0
   52    50    53    57  -0.47300  1.0 3.0
   52    55    58    59   1.40000 -1.0 2.0
   52    55   -58    68   3.62500 -1.0 2.0
   55    52   -76    68   3.62500 -1.0 2.0
   55    52    76    75   3.62500 -1.0 2.0
   55    58    68    69   3.62500 -1.0 2.0
   55    58   -68    76   3.62500 -1.0 2.0
   56    55    58    59   2.00000 -1.0 2.0
   56    55    58    68   3.62500 -1.0 2.0
   58    68    69    70   3.62500 -1.0 2.0
   58    68    69    71   3.62500 -1.0 2.0
   58    68   -76    52   3.62500 -1.0 2.0
   58    68    76    75   3.62500 -1.0 2.0
   59    58    68    69   2.00000 -1.0 2.0
   59    58    68    76   2.00000 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    76    52   3.62500 -1.0 2.0
   69    68    76    75   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    52   3.62500 -1.0 2.0
   73    75   -76    68   3.62500 -1.0 2.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.00000  1.0 1.0
   73    75    77    53   0.04150 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -53    50  -0.03700  1.0 1.0
   75    77   -53    50   0.37200 -1.0 2.0
   75    77   -53    50  -0.47300  1.0 3.0
   75    77    53    54   0.43200  1.0 3.0
   75    77    53    57  -0.03700  1.0 1.0
   75    77    53    57   0.37200 -1.0 2.0
   75    77    53    57  -0.47300  1.0 3.0
   76    52    55    56   3.62500 -1.0 2.0
   76    52   -55    58   3.62500 -1.0 2.0
   76    68    69    70   3.62500 -1.0 2.0
   76    68   -69    71   3.62500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    53   0.04150 -1.0 2.0
   77    75   -76    52   3.62500 -1.0 2.0
   77    75    76    68   3.62500 -1.0 2.0
   77    53    57    43   1.26750  1.0 1.0
   77    53    57    43  -0.00950 -1.0 2.0
   77    53    57    43   0.30600  1.0 3.0
   77    53    57    60   0.56750  1.0 1.0
   77    53    57    60  -0.07550 -1.0 2.0
   77    53    57    60   0.20000  1.0 3.0
   77    53    57    64   0.56750  1.0 1.0
   77    53    57    64  -0.07550 -1.0 2.0
   77    53    57    64   0.20000  1.0 3.0
   78    77    53    50   0.15000  1.0 3.0
   78    77    53    54   0.15000  1.0 3.0
   78    77    53    57   0.15000  1.0 3.0
   79    77    53    50   0.15000  1.0 3.0
   79    77    53    54   0.15000  1.0 3.0
   79    77    53    57   0.15000  1.0 3.0
   53    50    52    55   0.04150 -1.0 2.0
   53    50   -52    76   0.04150 -1.0 2.0
   53    57    60    61   0.15000  1.0 3.0
   53    57    60    62   0.15000  1.0 3.0
   53    57    60    63   0.15000  1.0 3.0
   53    57    64    65   0.15000  1.0 3.0
   53    57    64    66   0.15000  1.0 3.0
   53    57    64    67   0.15000  1.0 3.0
   54    53    57    43   0.22950  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    64   0.15000  1.0 3.0
   57    43    48    33   0.00000  1.0 1.0
   57    43    48    49   0.00000  1.0 1.0
   57    43   -48    50   0.00000  1.0 1.0
   60    57    64    65   0.15000  1.0 3.0
   60    57    64    66   0.15000  1.0 3.0
   60    57    64    67   0.15000  1.0 3.0
   64    57    60    61   0.15000  1.0 3.0
   64    57    60    62   0.15000  1.0 3.0
   64    57    60    63   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    47   0.00000  1.0 1.0
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
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   57    39    43    48   1.00000 -1.0 2.0
   55    76    52    50   4.00000 -1.0 2.0
   58    56    55    52   1.10000 -1.0 2.0
   59    55    58    68   1.00000 -1.0 2.0
   69    76    68    58   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   68    75    76    52   4.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
END
