* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    147    218     429
    1     0 S   NP   _N1_     1    28.90009    96.81829   -21.24584
    2     1 S   H    _HN1     2     1.02790    95.35830   -88.15942
    3     1 S   H    _H1_     3     1.02957    75.03605    19.36628
    4     1 S   H    _H2_     4     1.02836    40.63245   160.55820
    5     1 S   CT   _CA1     5     1.50187   147.21306   124.02181
    6     5 S   HC   _HA1     6     1.09578   105.16875    84.02394
    7     5 S   CO3  _C1_     7     1.53717   112.07442   -36.08933
    8     7 S   O2Z  _O11     8     1.26355   115.00644   -48.12370
    9     7 S   O2Z  _O12     9     1.26201   114.95216   130.52229
   10     5 S   CT   _CB1    10     1.53059   107.33989  -158.12018
   11    10 S   HC   HB11    11     1.09840   109.23529   -48.60476
   12    10 S   HC   HB12    12     1.09807   110.57884    67.95090
   13    10 S   CT   _CG1    13     1.53062   112.73211  -169.49985
   14    13 S   HC   HG11    14     1.09573   110.73646   -66.40638
   15    13 S   HC   HG12    15     1.09596   109.56552    52.86635
   16    13 S   C    _CD1    16     1.51930   111.92974   172.79415
   17    16 S   O    _OE1    17     1.22790   123.03402     5.58086
   18    16 S   N    _N2_    18     1.38588   112.06912  -174.25652
   19    18 S   H    _HN2    19     1.01825   118.93287     0.58751
   20    18 S   CT1  _CA2    20     1.46312   123.18606   177.44159
   21    20 S   HC   _HA2    21     1.09727   109.24932    -7.96344
   22    20 S   C    _C2_    22     1.53575   109.45436  -123.59823
   23    22 S   O    _O2_    23     1.23106   122.00973  -155.14030
   24    20 S   CT   _CB2    32     1.53282   111.54245   114.15516
   25    24 S   HC   HB21    33     1.09431   109.36303    55.51919
   26    24 S   HC   HB22    34     1.09511   110.84555   173.48314
   27    22 S   N    _N3_    24     1.38283   114.07396    32.19024
   28    27 S   H    _HN3    25     1.01589   119.22255    -3.46408
   29    24 S   S    _SG2    35     1.82867   111.94627   -67.46711
   30    27 S   CT   _CA3    26     1.45401   122.92706   176.55127
   31    30 S   HC   HA31    27     1.09552   106.96316   -75.39923
   32    30 S   HC   HA32    28     1.09547   108.68471    41.06208
   33    29 S   CT   _C18    36     1.84130    99.67560   145.46248
   34    33 S   HC   _H8_    37     1.09712   105.87086    44.46713
   35    30 S   CO3  _C3_    29     1.52827   113.95325   162.78592
   36    35 S   O2Z  _O31    30     1.26392   115.70792   -24.08501
   37    35 S   O2Z  _O32    31     1.26351   114.71888   156.34956
   38    33 S   CA   _C7_    38     1.52131   111.34249   -74.36218
   39    33 S   CM   _C19    79     1.51026   108.72732   160.93380
   40    39 S   HC   _H23    80     1.08975   117.48738    57.39358
   41    38 S   CA   _C6_    39     1.40722   121.59335   -63.75758
   42    41 S   HA   _H12    40     1.08618   118.32350    -1.77542
   43    39 S   CMA  _C20    81     1.34814   124.32091  -122.50032
   44    43 S   OM   _O41    82     1.25856   131.37506   179.97202
   45    43 S   HC   _H24    83     1.09137   113.11211    -0.12354
   46    41 S   CA   _C5_    41     1.39682   121.00325   178.16645
   47    46 S   CA   _C10    42     1.40309   118.73699    -1.51698
   48    46 S   OS   _O33    74     1.37039   124.86305   177.90894
   49    47 S   CA   _C9_    43     1.40337   121.33944     3.46922
   50    47 S   OS   _O34    51     1.37706   120.61158  -179.10803
   51    48 S   CT   _C4_    75     1.42212   117.33727     2.21152
   52    51 S   HC   _H9_    76     1.09410   107.72824   179.16280
   53    51 S   HC   _H10    77     1.09497   111.16706    61.27734
   54    51 S   HC   _H11    78     1.09492   111.10039   -63.21891
   55    38 S   CA   _C8_    44     1.40570   119.37953   115.53541
   56    55 S   HA   _H13    45     1.08626   118.28355     1.87200
   57    49 S   OS   _O40    46     1.37122   116.02658   177.59800
   58    50 S   CO   _C11    52     1.44236   111.37389    77.87385
   59    58 S   HC   _H3_    53     1.09669   108.89447   -62.94586
   60    57 S   CT   _C17    47     1.42166   117.23372   174.94987
   61    60 S   HC   _H20    48     1.09427   107.74299  -177.36582
   62    60 S   HC   _H21    49     1.09485   111.07002    64.95350
   63    60 S   HC   _H22    50     1.09512   111.22009   -59.60763
   64    58 S   CT   _C12    54     1.53538   107.73305   179.49759
   65    64 S   HC   _H4_    55     1.09579   110.66832    57.46129
   66    64 S   CT   _C13    56     1.53044   109.61265  -179.98022
   67    66 S   HC   _H5_    57     1.09658   108.29290   -68.59215
   68    64 S   OH   _O39    72     1.43093   109.37238   -59.11430
   69    68 S   HO   _H19    73     0.97296   106.77498  -172.81660
   70    66 S   CT   _C14    58     1.53383   112.05971    51.51101
   71    70 S   HC   _H6_    59     1.09590   109.84135  -172.45662
   72    66 S   OH   _O38    70     1.42545   109.69997   174.55623
   73    72 S   HO   _H18    71     0.97290   107.38521   173.63733
   74    70 S   CT   _C15    60     1.53581   110.09186   -50.60600
   75    74 S   HC   _H7_    61     1.09695   110.19143   -64.31732
   76    70 S   OH   _O37    68     1.42868   110.43503    70.47535
   77    76 S   HO   _H17    69     0.97278   107.29763    45.24439
   78    58 S   OS   _O35    62     1.43608   113.09534    58.02445
   79    74 S   CT   _C16    63     1.52759   112.12908   174.46385
   80    79 S   HC   _H14    64     1.09483   110.58632    50.35449
   81    79 S   HC   _H15    65     1.09432   111.88445   -72.13324
   82    79 S   OH   _O36    66     1.42552   109.02291   169.09138
   83    82 S   HO   _H16    67     0.97588   106.56989  -159.84842
  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
  13   6   2   1   1  12   6   3   9   4   2   1   1  11  12   6
   9  10   3   2   1   1   3   1   4  13   6   3   2   1   1  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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    55    56    39    40    43    44    45  
   38    41    55    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    49    55    56    57    48    39    40    43  
   40    43    44    45    41    55  
   43    44    45  
   42    46    47    49    55    56    50    48    51  
   46    47    55    48  
   44    45  
   45  
    0  
   47    49    55    57    50    58    48    51    52    53    54  
   49    55    56    57    60    50    58    59    64    78    48    51  
   51    52    53    54    49    50  
   55    56    57    60    61    62    63    50    58  
   58    59    64    65    66    74    78    68    55    57  
   52    53    54  
   53    54  
   54  
    0  
   56    57    60  
   57  
   60    61    62    63  
   59    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   61    62    63  
   62    63  
   63  
    0  
   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  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   469.000  1.400
   46    48   450.000  1.364
   47    49   469.000  1.400
   47    50   450.000  1.364
   49    55   469.000  1.400
   49    57   450.000  1.364
   55    56   367.000  1.080
   57    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   50    58   320.000  1.380
   58    59   340.000  1.090
   58    64   250.000  1.527
   58    78   320.000  1.380
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   320.000  1.410
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   320.000  1.410
   82    83   553.000  0.945
   76    77   553.000  0.945
   72    73   553.000  0.945
   68    69   553.000  0.945
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   335.000  1.111
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    55    49    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    46    47    63.00000  120.00000
   41    46    48    70.00000  120.00000
   46    41    42    35.00000  120.00000
   46    47    49    63.00000  120.00000
   46    47    50    70.00000  120.00000
   46    48    51    75.00000  111.00000
   47    49    55    63.00000  120.00000
   47    49    57    70.00000  120.00000
   47    50    58   100.00000  112.36700
   49    55    56    35.00000  120.00000
   49    57    60    75.00000  111.00000
   55    38    41    63.00000  120.00000
   57    49    55    70.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   50    47    49    70.00000  120.00000
   50    58    59    35.00000  109.50000
   50    58    64    90.00000  108.56700
   50    58    78    92.60000  111.55000
   58    64    65    45.00000  108.72000
   58    64    66    75.00000  109.43000
   58    64    68    90.00000  111.58700
   58    78    74    60.00000  109.50000
   64    58    59    45.00000  112.01100
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    50.00000  109.50000
   64    68    69    55.00000  108.50000
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    50.00000  109.50000
   66    72    73    55.00000  108.50000
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    50.00000  109.50000
   70    74    79    58.35000  112.70000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    50.00000  109.50000
   78    58    59    35.00000  109.50000
   78    58    64    90.00000  108.56700
   78    74    75    35.00000  109.50000
   79    74    75    37.50000  110.70000
   79    74    78    50.00000  109.50000
   79    82    83    55.00000  108.50000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   68    64    65    35.00000  109.50000
   68    64    66    50.00000  109.50000
   48    46    47    70.00000  120.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    45.00000  105.30000
   43    39    40    40.00000  120.50800
   45    43    44    50.00000  124.16400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    55    49   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    55    49   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    46   -47    49   3.62500 -1.0 2.0
   41    46    47    50   3.62500 -1.0 2.0
   41    46    48    51   1.63200 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    47    49    55   3.62500 -1.0 2.0
   46    47    49    57   3.62500 -1.0 2.0
   46    47    50    58   1.63200 -1.0 2.0
   46    48    51    52   0.08050  1.0 3.0
   46    48    51    53   0.08050  1.0 3.0
   46    48    51    54   0.08050  1.0 3.0
   47    46    48    51   1.63200 -1.0 2.0
   47    49   -55    38   3.62500 -1.0 2.0
   47    49    55    56   3.62500 -1.0 2.0
   47    49    57    60   1.63200 -1.0 2.0
   47    50    58    59   0.08050  1.0 3.0
   47    50    58    64  -0.32850  1.0 1.0
   47    50    58    64  -0.35800 -1.0 2.0
   47    50    58    64   0.33950  1.0 3.0
   47    50    58    78  -0.25600  1.0 1.0
   47    50    58    78  -0.40050 -1.0 2.0
   47    50    58    78   0.34700  1.0 3.0
   49    47    50    58   1.63200 -1.0 2.0
   49    57    60    61   0.08050  1.0 3.0
   49    57    60    62   0.08050  1.0 3.0
   49    57    60    63   0.08050  1.0 3.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    46   3.62500 -1.0 2.0
   55    49    57    60   1.63200 -1.0 2.0
   57    49    55    38   3.62500 -1.0 2.0
   57    49    55    56   3.62500 -1.0 2.0
   50    47    49    55   3.62500 -1.0 2.0
   50    47    49    57   3.62500 -1.0 2.0
   50    58    64    65   0.23400  1.0 3.0
   50    58    64    66   0.62750  1.0 1.0
   50    58    64    66  -0.30950 -1.0 2.0
   50    58    64    66   0.27300  1.0 3.0
   50    58    64    68   3.69350  1.0 1.0
   50    58    64    68  -1.82950 -1.0 2.0
   50    58    78    74  -0.81800  1.0 1.0
   58    64    66    67   0.15000  1.0 3.0
   58    64    66    70   3.97050  1.0 1.0
   58    64    66    72   0.86500  1.0 1.0
   58    64    66    72  -0.17500 -1.0 2.0
   58    64    66    72   0.20800  1.0 3.0
   58    64    68    69  -0.11600  1.0 1.0
   58    64    68    69  -0.09450 -1.0 2.0
   58    64    68    69   0.21250  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    68   0.23400  1.0 3.0
   59    58    78    74   0.37050  1.0 3.0
   64    58    78    74   0.06250  1.0 1.0
   64    58    78    74  -0.01100 -1.0 2.0
   64    58    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   0.86500  1.0 1.0
   64    66    70    76  -0.17500 -1.0 2.0
   64    66    70    76   0.20800  1.0 3.0
   64    66    72    73  -0.11600  1.0 1.0
   64    66    72    73  -0.09450 -1.0 2.0
   64    66    72    73   0.21250  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  -0.11600  1.0 1.0
   66    64    68    69  -0.09450 -1.0 2.0
   66    64    68    69   0.21250  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  -0.11600  1.0 1.0
   66    70    76    77  -0.09450 -1.0 2.0
   66    70    76    77   0.21250  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  -0.11600  1.0 1.0
   70    66    72    73  -0.09450 -1.0 2.0
   70    66    72    73   0.21250  1.0 3.0
   70    74   -78    58   0.06250  1.0 1.0
   70    74   -78    58  -0.01100 -1.0 2.0
   70    74   -78    58   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   0.86500  1.0 1.0
   70    74    79    82  -0.17500 -1.0 2.0
   70    74    79    82   0.20800  1.0 3.0
   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  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    79    82    83  -0.11600  1.0 1.0
   74    79    82    83  -0.09450 -1.0 2.0
   74    79    82    83   0.21250  1.0 3.0
   75    74    78    58   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    58    64    65   0.23400  1.0 3.0
   78    58   -64    66   0.62750  1.0 1.0
   78    58   -64    66  -0.30950 -1.0 2.0
   78    58   -64    66   0.27300  1.0 3.0
   78    58    64    68   3.69350  1.0 1.0
   78    58    64    68  -1.82950 -1.0 2.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   3.69350  1.0 1.0
   78    74    79    82  -1.82950 -1.0 2.0
   79    74    78    58   0.06250  1.0 1.0
   79    74    78    58  -0.01100 -1.0 2.0
   79    74    78    58   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   3.69350  1.0 1.0
   76    70    74    78  -1.82950 -1.0 2.0
   76    70    74    79   0.86500  1.0 1.0
   76    70    74    79  -0.17500 -1.0 2.0
   76    70    74    79   0.20800  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   0.86500  1.0 1.0
   72    66    70    74  -0.17500 -1.0 2.0
   72    66    70    74   0.20800  1.0 3.0
   72    66    70    76   3.75450  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70   0.86500  1.0 1.0
   68    64    66    70  -0.17500 -1.0 2.0
   68    64    66    70   0.20800  1.0 3.0
   68    64    66    72   3.75450  1.0 1.0
   48    46    47    49   3.62500 -1.0 2.0
   48    46    47    50   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    55   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    55    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    48    46    41   4.00000 -1.0 2.0
   49    50    47    46   4.00000 -1.0 2.0
   55    57    49    47   4.00000 -1.0 2.0
   49    56    55    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
