* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    151    231     446
    1     0 S   NP   _N1_     1    28.64176    96.19810   -22.14459
    2     1 S   H    _HN1     2     1.02781    95.79708   -85.95000
    3     1 S   H    _H1_     3     1.02953    76.59752    21.56677
    4     1 S   H    _H2_     4     1.02827    38.85811   162.55848
    5     1 S   CT   _CA1     5     1.50119   145.88907   128.23970
    6     5 S   HC   _HA1     6     1.09573   105.21101    81.40833
    7     5 S   CO3  _C1_     7     1.53794   112.42186   -38.82488
    8     7 S   O2Z  _O11     8     1.26370   115.00906   -43.06988
    9     7 S   O2Z  _O12     9     1.26240   114.94650   136.05098
   10     5 S   CT   _CB1    10     1.53077   107.41241  -160.63099
   11    10 S   HC   HB11    11     1.09830   109.37228   -49.98038
   12    10 S   HC   HB12    12     1.09816   110.43171    66.61197
   13    10 S   CT   _CG1    13     1.52989   112.62651  -170.99763
   14    13 S   HC   HG11    14     1.09588   110.55596   -64.70811
   15    13 S   HC   HG12    15     1.09665   109.87630    54.53613
   16    13 S   C    _CD1    16     1.51795   112.26419   174.94127
   17    16 S   O    _OE1    17     1.22729   123.28684     3.15957
   18    16 S   N    _N2_    18     1.38657   111.64124  -176.87156
   19    18 S   H    _HN2    19     1.01580   118.98945     1.70169
   20    18 S   CT1  _CA2    20     1.46193   123.33234   178.44694
   21    20 S   HC   _HA2    21     1.09747   109.36448    -1.10853
   22    20 S   C    _C2_    22     1.53502   108.51162  -116.55379
   23    22 S   O    _O2_    23     1.23050   122.33261  -147.71510
   24    20 S   CT   _CB2    32     1.53526   111.73831   120.84852
   25    24 S   HC   HB21    33     1.09477   109.67839    56.85202
   26    24 S   HC   HB22    34     1.09258   109.37782   175.57433
   27    22 S   N    _N3_    24     1.38352   113.61771    39.69222
   28    27 S   H    _HN3    25     1.01606   119.54680    -3.42497
   29    24 S   S    _SG2    35     1.82948   111.01753   -63.67922
   30    27 S   CT   _CA3    26     1.45285   123.16034   177.05869
   31    30 S   HC   HA31    27     1.09551   107.50286   -64.48472
   32    30 S   HC   HA32    28     1.09558   107.97726    51.93121
   33    29 S   CT   _C19    36     1.85871   102.71458  -168.50907
   34    30 S   CO3  _C3_    29     1.52947   114.13112   173.93124
   35    34 S   O2Z  _O31    30     1.26371   116.08051    -0.86502
   36    34 S   O2Z  _O32    31     1.26435   114.40796   179.20648
   37    33 S   CT   _C13    37     1.55232   114.79885    56.06781
   38    37 S   HC   _H32    38     1.09797   110.70214   -72.13067
   39    37 S   HC   _H33    39     1.09872   108.16793   174.01830
   40    33 S   CT   _C14    60     1.56797   108.35883  -175.80110
   41    40 S   HC   _H34    61     1.10068   106.99370   156.08834
   42    40 S   HC   _H35    62     1.09724   110.02306    45.27264
   43    33 S   CT   _C22    80     1.55143   106.27779   -62.39367
   44    43 S   HC   _H46    81     1.09660   111.94033   -55.73148
   45    43 S   HC   _H47    82     1.09716   110.62118  -175.03777
   46    43 S   HC   _H48    83     1.09485   112.51720    66.44975
   47    37 S   CO4  _C7_    40     1.52721   118.54870    50.14316
   48    47 S   O    _O20    41     1.22696   122.96272   -64.43147
   49    47 S   CM   _C4_    42     1.49014   116.04683   117.65215
   50    49 S   HC   _H27    43     1.08663   114.83699    42.50974
   51    49 S   CM   _C5_    44     1.34745   124.19300  -129.18485
   52    51 S   CT   _C15    45     1.52122   125.51414    -5.64413
   53    52 S   HC   _H36    46     1.09466   111.33582   -33.83847
   54    51 S   CT   _C20    76     1.51139   118.31816   171.70199
   55    54 S   HC   _H40    77     1.09460   110.69960   114.39328
   56    54 S   HC   _H41    78     1.09552   112.34302    -5.59500
   57    54 S   HC   _H42    79     1.09497   110.34085  -125.09839
   58    52 S   CT   _C17    47     1.54901   114.93677    90.66977
   59    58 S   HC   _H38    48     1.09777   110.55313    56.63942
   60    52 S   OH   _O24    74     1.43607   108.59488  -148.37504
   61    60 S   HO   _H49    75     0.97279   107.29154    64.45084
   62    58 S   CT   _C16    49     1.53743   113.90876   -71.63036
   63    62 S   HC   _H37    50     1.09005   106.61557   -33.64299
   64    62 S   CM   _C6_    51     1.49702   100.37422  -144.45907
   65    62 S   CT   _C18    58     1.54161   113.19067    88.13328
   66    65 S   HC   _H39    59     1.08800   109.27515   -38.94435
   67    64 S   CO4  _C8_    52     1.47660   108.63560    22.29988
   68    67 S   O    _O21    53     1.21761   127.14382   169.62673
   69    64 S   CM   _C9_    55     1.33622   131.28872  -156.69183
   70    69 S   HC   _H28    56     1.08227   121.90922    -0.73648
   71    69 S   HC   _H29    57     1.08570   121.58494   179.42802
   72    65 S   OS   _O25    63     1.45497   107.72411    76.43293
   73    58 S   OS   _O23    54     1.44830   107.57399   172.53615
   74    72 S   CO4  _C12    64     1.35913   118.54638  -145.68007
   75    74 S   O    _O22    65     1.22226   126.06149    -0.71655
   76    74 S   CM   _C11    66     1.48955   109.31469   179.18123
   77    76 S   CM   _C10    67     1.34139   117.42862   178.96297
   78    77 S   HC   _H30    68     1.08559   120.94964   179.91844
   79    77 S   HC   _H31    69     1.08536   122.49064    -0.09691
   80    76 S   CT   _C21    70     1.49810   120.08442    -1.19763
   81    80 S   HC   _H43    71     1.09508   110.59067   -59.60079
   82    80 S   HC   _H44    72     1.09499   110.58628    60.90893
   83    80 S   HC   _H45    73     1.09536   111.88715  -179.33589
  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  13   5   4   3
  17   2   1   1  15   6   5  15   6   5   5   2   1   1   6   3
  10   3  12  15   7   5   2   1   1  13   7   3   1  12   7   9
   8   2   5   2   3   1   1   5   1   9   3   7   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    65    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    62    65    66    40    41    42    72    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    65    40    41    42    43    44    45    46  
   39    47    48    49    40    43  
   47    48    49    40    43  
   41    42    72    74    43    44    45    46    47    58    62    63    64    65    66  
   42    72    43    62    65    66  
   72    43    62    65    66  
   44    45    46    47    65  
   45    46  
   46  
    0  
   48    49    50    51    52    54  
   49    50    51  
   50    51    52    53    58    60    54    55    56    57  
   51    52    54  
   52    53    58    59    62    73    60    61    54    55    56    57  
   53    58    59    62    63    64    67    73    65    60    61    54    55    56    57  
   58    59    62    73    60    61    54  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    67    68    73    69    65    66    72    60    61  
   62    63    64    67    73    65    60  
   61    62    73  
    0  
   63    64    67    68    73    69    70    71    65    66    72    74  
   64    67    73    69    65    66    72  
   67    68    73    69    70    71    65    66    72  
   66    72    74    75    76    67    69    73  
   72    74  
   68    73    69    70    71  
   73    69  
   70    71    73  
   71  
    0  
   74    75    76    77    80  
    0  
   75    76    77    78    79    80    81    82    83  
   76    77    80  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   317.000  1.522
   47    48   570.000  1.229
   47    49   320.000  1.462
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   317.000  1.510
   51    54   317.000  1.510
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    60   320.000  1.410
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    73   320.000  1.410
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    73   214.000  1.327
   69    70   340.000  1.080
   69    71   340.000  1.080
   65    66   340.000  1.090
   65    40   268.000  1.529
   65    72   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   60    61   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    49    65.00000  118.62400
   39    37    38    33.00000  107.80000
   47    37    38    35.00000  109.50000
   47    37    39    35.00000  109.50000
   47    49    50    40.00000  117.72500
   47    49    51    65.00000  118.96000
   49    47    48    80.00000  123.72100
   49    51    52    70.00000  124.00000
   49    51    54    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  109.50000
   51    52    58    70.00000  112.02700
   51    52    60    90.00000  110.39200
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    62    58.35000  112.70000
   52    58    73    50.00000  109.50000
   52    60    61    55.00000  108.50000
   58    52    53    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    70.00000  112.02700
   58    62    65    58.35000  112.70000
   58    73    67    83.00000  116.90000
   62    58    59    37.50000  110.70000
   62    64    67    65.00000  116.34900
   62    64    69    70.00000  124.00000
   62    65    66    37.50000  110.70000
   62    65    40    58.35000  112.70000
   62    65    72    50.00000  109.50000
   64    62    63    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    73    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   73    58    59    35.00000  109.50000
   73    58    62    50.00000  109.50000
   73    67    68    83.00000  123.40000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   65    62    63    37.50000  110.70000
   65    62    64    70.00000  112.02700
   65    40    41    37.50000  110.70000
   65    40    42    37.50000  110.70000
   65    72    74    83.00000  116.90000
   40    33    37    58.35000  112.70000
   40    65    66    37.50000  110.70000
   42    40    41    33.00000  107.80000
   72    65    66    35.00000  109.50000
   72    65    40    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    80    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    79    35.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   79    77    78    35.00000  117.00000
   80    76    77    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   60    52    53    35.00000  109.50000
   60    52    58    50.00000  109.50000
   54    51    52    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    49   0.65300  1.0 1.0
   33    37    47    49  -0.03850 -1.0 2.0
   33    37    47    49   0.33900  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.04550  1.0 1.0
   37    47    49    50   0.83000 -1.0 2.0
   37    47    49    50  -0.04000  1.0 3.0
   37    47    49    51  -0.33500  1.0 1.0
   37    47    49    51   1.06600 -1.0 2.0
   37    47    49    51  -0.14000  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   39    37    47    48   0.00000  1.0 1.0
   39    37    47    49   0.00000  1.0 1.0
   47    49    51    52   7.00000 -1.0 2.0
   47    49    51    54   7.00000 -1.0 2.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   1.00000 -1.0 2.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    58   0.09850  1.0 1.0
   49    51    52    58   0.15250 -1.0 2.0
   49    51    52    58  -0.50650  1.0 3.0
   49    51    52    60   0.67800  1.0 1.0
   49    51    52    60   0.47050 -1.0 2.0
   49    51    52    60  -0.62500  1.0 3.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56   0.00000  1.0 1.0
   49    51    54    57   0.00000  1.0 1.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    54   7.00000 -1.0 2.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    62   0.34400  1.0 1.0
   51    52    58    62   0.09450 -1.0 2.0
   51    52    58    62   0.11100  1.0 3.0
   51    52    58    73   0.61850  1.0 1.0
   51    52    58    73  -0.22750 -1.0 2.0
   51    52    58    73   0.15300  1.0 3.0
   51    52    60    61  -0.07800  1.0 1.0
   51    52    60    61  -0.21500 -1.0 2.0
   51    52    60    61  -0.03150  1.0 3.0
   52    51    54    55   0.34800  1.0 3.0
   52    51    54    56   0.34800  1.0 3.0
   52    51    54    57   0.34800  1.0 3.0
   52    58    62    63   0.15000  1.0 3.0
   52    58    62    64   0.34400  1.0 1.0
   52    58    62    64   0.09450 -1.0 2.0
   52    58    62    64   0.11100  1.0 3.0
   52    58    62    65   0.56750  1.0 1.0
   52    58    62    65  -0.07550 -1.0 2.0
   52    58    62    65   0.20000  1.0 3.0
   52    58    73    67  -0.25900  1.0 1.0
   52    58    73    67  -0.47000 -1.0 2.0
   52    58    73    67   0.11750  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    62   0.15000  1.0 3.0
   53    52    58    73   0.23400  1.0 3.0
   53    52    60    61   0.19450  1.0 3.0
   58    52    60    61  -0.11600  1.0 1.0
   58    52    60    61  -0.09450 -1.0 2.0
   58    52    60    61   0.21250  1.0 3.0
   58    62   -64    67   0.09700  1.0 1.0
   58    62   -64    67   0.15600 -1.0 2.0
   58    62   -64    67  -0.50800  1.0 3.0
   58    62    64    69   0.09850  1.0 1.0
   58    62    64    69   0.15250 -1.0 2.0
   58    62    64    69  -0.50650  1.0 3.0
   58    62    65    66   0.15000  1.0 3.0
   58    62    65    40   0.56750  1.0 1.0
   58    62    65    40  -0.07550 -1.0 2.0
   58    62    65    40   0.20000  1.0 3.0
   58    62    65    72   0.62750  1.0 1.0
   58    62    65    72  -0.30950 -1.0 2.0
   58    62    65    72   0.27300  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    58    73    67   0.08050  1.0 3.0
   62    58   -73    67  -0.25900  1.0 1.0
   62    58   -73    67  -0.47000 -1.0 2.0
   62    58   -73    67   0.11750  1.0 3.0
   62    64    67    68  -0.64400  1.0 1.0
   62    64    67    68   0.26850 -1.0 2.0
   62    64   -67    73  -0.15000  1.0 1.0
   62    64   -67    73   0.89550 -1.0 2.0
   62    64   -67    73  -0.06900  1.0 3.0
   62    64    69    70   7.00000 -1.0 2.0
   62    64    69    71   7.00000 -1.0 2.0
   62    65    40    33   0.56750  1.0 1.0
   62    65    40    33  -0.07550 -1.0 2.0
   62    65    40    33   0.20000  1.0 3.0
   62    65    40    41   0.15000  1.0 3.0
   62    65    40    42   0.15000  1.0 3.0
   62    65    72    74  -0.25900  1.0 1.0
   62    65    72    74  -0.47000 -1.0 2.0
   62    65    72    74   0.11750  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    64    69   0.00000  1.0 1.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    40   0.15000  1.0 3.0
   63    62    65    72   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    40   0.34400  1.0 1.0
   64    62    65    40   0.09450 -1.0 2.0
   64    62    65    40   0.11100  1.0 3.0
   64    62    65    72   0.61850  1.0 1.0
   64    62    65    72  -0.22750 -1.0 2.0
   64    62    65    72   0.15300  1.0 3.0
   64    67   -73    58   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   68    67    73    58   3.00000 -1.0 2.0
   73    58    62    63   0.23400  1.0 3.0
   73    58   -62    64   0.61850  1.0 1.0
   73    58   -62    64  -0.22750 -1.0 2.0
   73    58   -62    64   0.15300  1.0 3.0
   73    58    62    65   0.62750  1.0 1.0
   73    58    62    65  -0.30950 -1.0 2.0
   73    58    62    65   0.27300  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    73  -0.56150  1.0 1.0
   69    64    67    73   2.19150 -1.0 2.0
   65    62    64    67   0.09700  1.0 1.0
   65    62    64    67   0.15600 -1.0 2.0
   65    62    64    67  -0.50800  1.0 3.0
   65    62    64    69   0.09850  1.0 1.0
   65    62    64    69   0.15250 -1.0 2.0
   65    62    64    69  -0.50650  1.0 3.0
   65    72    74    75   3.00000 -1.0 2.0
   65    72    74    76   2.00000 -1.0 2.0
   66    65    40    33   0.15000  1.0 3.0
   66    65    40    41   0.15000  1.0 3.0
   66    65    40    42   0.15000  1.0 3.0
   66    65    72    74   0.08050  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47  -0.95700  1.0 1.0
   40    33    37    47  -0.18200 -1.0 2.0
   40    33    37    47   0.29450  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   40    65    72    74  -0.25900  1.0 1.0
   40    65    72    74  -0.47000 -1.0 2.0
   40    65    72    74   0.11750  1.0 3.0
   72    65    40    33   0.62750  1.0 1.0
   72    65    40    33  -0.30950 -1.0 2.0
   72    65    40    33   0.27300  1.0 3.0
   72    65    40    41   0.23400  1.0 3.0
   72    65    40    42   0.23400  1.0 3.0
   72    74    76    77  -0.56150  1.0 1.0
   72    74    76    77   2.19150 -1.0 2.0
   72    74    76    80  -0.15000  1.0 1.0
   72    74    76    80   0.89550 -1.0 2.0
   72    74    76    80  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    79   7.00000 -1.0 2.0
   74    76    80    81   0.15000  1.0 3.0
   74    76    80    82   0.15000  1.0 3.0
   74    76    80    83   0.15000  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    80  -0.64400  1.0 1.0
   75    74    76    80   0.26850 -1.0 2.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    82   0.00000  1.0 1.0
   77    76    80    83   0.00000  1.0 1.0
   80    76    77    78   7.00000 -1.0 2.0
   80    76    77    79   7.00000 -1.0 2.0
   60    52    58    59   0.23400  1.0 3.0
   60    52    58    62   0.86500  1.0 1.0
   60    52    58    62  -0.17500 -1.0 2.0
   60    52    58    62   0.20800  1.0 3.0
   60    52    58    73   3.69350  1.0 1.0
   60    52    58    73  -1.82950 -1.0 2.0
   54    51    52    53   0.34800  1.0 3.0
   54    51    52    58   0.46850  1.0 1.0
   54    51    52    58   0.08550 -1.0 2.0
   54    51    52    58   0.09800  1.0 3.0
   54    51    52    60   0.18000  1.0 1.0
   54    51    52    60   0.16450 -1.0 2.0
   54    51    52    60   0.04450  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    40    65   0.56750  1.0 1.0
   43    33    40    65  -0.07550 -1.0 2.0
   43    33    40    65   0.20000  1.0 3.0
   43    33    40    41   0.15000  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    49    47    48  10.50000 -1.0 2.0
   47    50    49    51   1.10000 -1.0 2.0
   52    54    51    49   1.10000 -1.0 2.0
   62    67    64    69   1.10000 -1.0 2.0
   64    73    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    80    76    77  15.00000 -1.0 2.0
   78    79    77    76  15.00000 -1.0 2.0
END
