* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    141    215     411
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02022   106.57895   -17.85597
    3     1 S   H    _H1_     3     1.02111    58.18994    84.24195
    4     1 S   H    _H2_     4     1.02154    53.96061  -119.16591
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.43906    58.92669
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.85439   101.35994   159.99041
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C19    37     1.51965   105.95504   -79.99929
   38    37 S   HC   _H38    38     1.09025   115.21100   -63.53236
   39    33 S   CT   _C23    57     1.54326   110.31849   160.58975
   40    39 S   HC   _H45    58     1.09620   111.60545   -63.26360
   41    39 S   HC   _H46    59     1.09780   111.77649    56.14732
   42    33 S   OH   _O25    82     1.42732   110.43382    39.48407
   43    42 S   HO   _H49    83     0.97129   108.05686  -176.84235
   44    37 S   CM   _C17    39     1.34375   126.02029   120.61948
   45    44 S   HC   _H36    40     1.08669   120.43802     4.10565
   46    39 S   CO4  _C20    60     1.52463   112.02425   178.60184
   47    46 S   O    _O22    61     1.22894   121.45232    89.37714
   48    44 S   CA   _C11    41     1.47186   123.90420   180.00000
   49    46 S   CM   _C18    62     1.49130   116.63994   -88.38203
   50    49 S   HC   _H37    63     1.08351   117.36791   -24.38411
   51    48 S   CA   _C5_    42     1.39481   119.99104   159.99547
   52    51 S   HA   _H30    43     1.08719   120.84451    -0.06561
   53    49 S   CM   _C16    64     1.34030   119.57289   150.04200
   54    53 S   HC   _H35    65     1.08712   120.34352    -3.65082
   55    51 S   CA   _C7_    44     1.39432   119.98568   179.90109
   56    55 S   HA   _H32    45     1.08705   119.58765  -179.98022
   57    53 S   CA   _C10    66     1.47160   124.02848  -179.98022
   58    55 S   CA   _C13    46     1.39513   120.02257    -0.05935
   59    57 S   CA   _C4_    67     1.39541   119.99915   159.96399
   60    59 S   HA   _H29    68     1.08782   120.81962    -0.08156
   61    58 S   CA   _C15    47     1.39481   119.99174     0.05935
   62    58 S   OH   _O24    55     1.36181   119.42145  -180.00000
   63    62 S   HO   _H48    56     0.97083   110.24939     0.02798
   64    59 S   CA   _C6_    69     1.39467   120.01503   179.85196
   65    64 S   HA   _H31    70     1.08667   119.59664   179.96044
   66    48 S   CA   _C9_    48     1.39480   119.97876   -20.14665
   67    66 S   HA   _H34    49     1.08726   120.49495     0.08393
   68    61 S   OS   _O27    50     1.36233   120.49344   179.95577
   69    64 S   CA   _C12    71     1.39501   119.99083     0.05935
   70    68 S   CT   _C22    51     1.42621   116.97699   179.98022
   71    70 S   HC   _H42    52     1.09305   109.45715   180.00000
   72    70 S   HC   _H43    53     1.09289   109.54278    59.24403
   73    70 S   HC   _H44    54     1.09209   109.02770   -60.45738
   74    69 S   CA   _C14    72     1.39464   120.01662    -0.04423
   75    69 S   OH   _O23    80     1.36223   119.37555   179.97202
   76    75 S   HO   _H47    81     0.97010   110.22041    -0.00000
   77    57 S   CA   _C8_    73     1.39490   120.05918   -20.15305
   78    77 S   HA   _H33    74     1.08808   120.44747     0.10653
   79    74 S   OS   _O26    75     1.36216   120.51716   180.00000
   80    79 S   CT   _C21    76     1.42541   117.04471   180.00000
   81    80 S   HC   _H39    77     1.09259   109.53054  -180.00000
   82    80 S   HC   _H40    78     1.09259   109.51383    59.20258
   83    80 S   HC   _H41    79     1.09255   108.98466   -60.39154
  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  10   5   4   3
  13   2   1   1  12   5  10   5   4   3   1   8   3   6   3   9
   6   3   8   4   8   3   7   3   9   7   8   4   9   3   1   7
   3   3   1   4   7   3   2   1   1   9   3   1   3   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    39    40    41    46    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    48    39    40    41    46    47    49    42    43  
   35    36  
   36  
    0  
   38    44    45    48    51    66    39    40    41    46    42    43  
   44    45    48    39    42  
   40    41    46    47    49    50    53    42    43    44  
   41    46    47    49    42  
   46    47    49    42  
   43    44    46  
    0  
   45    48    51    52    55    61    66    67  
   48    51    66  
   47    49    50    53    54    57  
   49    50    53  
   51    52    55    56    58    61    66    67    68  
   50    53    54    57    59    77  
   53    54    57  
   52    55    56    58    61    66    67    62  
   55    56    58    66  
   54    57    59    60    64    74    77    78  
   57    59    77  
   56    58    61    66    68    62    63  
   58    61    62  
   59    60    64    65    69    74    77    78    79  
   61    66    67    68    70    62    63  
   60    64    65    69    74    77    78    75  
   64    65    69    77  
   66    67    68    70    71    72    73    62    63  
   63    66    68  
    0  
   65    69    74    77    79    75    76  
   69    74    75  
   67    68    70  
   68  
   70    71    72    73  
   74    77    78    79    80    75    76  
   71    72    73  
   72    73  
   73  
    0  
   77    78    79    80    81    82    83    75    76  
   76    77    79  
    0  
   78    79    80  
   79  
   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   0.432500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   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   317.000  1.510
   33    39   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.080
   37    44   549.000  1.340
   44    45   340.000  1.080
   44    48   320.000  1.460
   48    51   469.000  1.400
   48    66   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    61   469.000  1.400
   58    62   450.000  1.364
   61    66   469.000  1.400
   61    68   450.000  1.364
   66    67   367.000  1.080
   68    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    63   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   317.000  1.522
   46    47   570.000  1.229
   46    49   320.000  1.462
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   340.000  1.080
   53    57   320.000  1.460
   57    59   469.000  1.400
   57    77   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    74   469.000  1.400
   69    75   450.000  1.364
   74    77   469.000  1.400
   74    79   450.000  1.364
   77    78   367.000  1.080
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   75    76   553.000  0.945
   42    43   553.000  0.945
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  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    44    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    63.00000  111.10000
   33    42    43    55.00000  108.50000
   37    44    45    35.00000  120.00000
   37    44    48    60.00000  123.20500
   44    37    38    35.00000  120.00000
   44    48    51    60.00000  120.93500
   44    48    66    60.00000  120.93500
   48    44    45    40.00000  117.26300
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   48    66    61    63.00000  120.00000
   48    66    67    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    58    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    58    61    63.00000  120.00000
   55    58    62    70.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    66    63.00000  120.00000
   58    61    68    70.00000  120.00000
   58    62    63    35.00000  113.00000
   61    66    67    35.00000  120.00000
   61    68    70    75.00000  111.00000
   66    48    51    63.00000  120.00000
   68    61    66    70.00000  120.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    58    61    70.00000  120.00000
   39    33    37    70.00000  112.02700
   39    46    47    80.00000  120.40000
   39    46    49    65.00000  118.62400
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
   46    49    50    40.00000  117.72500
   46    49    53    65.00000  118.96000
   49    46    47    80.00000  123.72100
   49    53    54    35.00000  120.00000
   49    53    57    60.00000  123.20500
   53    49    50    35.00000  120.00000
   53    57    59    60.00000  120.93500
   53    57    77    60.00000  120.93500
   57    53    54    40.00000  117.26300
   57    59    60    35.00000  120.00000
   57    59    64    63.00000  120.00000
   57    77    74    63.00000  120.00000
   57    77    78    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    69    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    69    74    63.00000  120.00000
   64    69    75    70.00000  120.00000
   69    64    65    35.00000  120.00000
   69    74    77    63.00000  120.00000
   69    74    79    70.00000  120.00000
   69    75    76    35.00000  113.00000
   74    77    78    35.00000  120.00000
   74    79    80    75.00000  111.00000
   77    57    59    63.00000  120.00000
   79    74    77    70.00000  120.00000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    69    74    70.00000  120.00000
   42    33    37    90.00000  110.39200
   42    33    39    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   29    33    42    43   0.35600  1.0 1.0
   29    33    42    43  -0.10750 -1.0 2.0
   29    33    42    43  -0.54400  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   33    39    46    47   0.30150 -1.0 2.0
   33    39    46    49   0.65300  1.0 1.0
   33    39    46    49  -0.03850 -1.0 2.0
   33    39    46    49   0.33900  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    46  -0.98800  1.0 1.0
   37    33    39    46   0.48800 -1.0 2.0
   37    33    39    46   0.76800  1.0 3.0
   37    33    42    43  -0.07800  1.0 1.0
   37    33    42    43  -0.21500 -1.0 2.0
   37    33    42    43  -0.03150  1.0 3.0
   37    44    48    51   0.15800  1.0 1.0
   37    44    48    51   1.85350 -1.0 2.0
   37    44    48    51  -0.48700  1.0 3.0
   37    44    48    66   0.15800  1.0 1.0
   37    44    48    66   1.85350 -1.0 2.0
   37    44    48    66  -0.48700  1.0 3.0
   38    37    44    45   7.00000 -1.0 2.0
   38    37    44    48   7.00000 -1.0 2.0
   44    48    51    52   3.62500 -1.0 2.0
   44    48    51    55   3.62500 -1.0 2.0
   44    48    66    61   3.62500 -1.0 2.0
   44    48    66    67   3.62500 -1.0 2.0
   45    44    48    51   0.56550  1.0 3.0
   45    44    48    66   0.56550  1.0 3.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   51    48    66    61   3.62500 -1.0 2.0
   51    48    66    67   3.62500 -1.0 2.0
   51    55   -58    61   3.62500 -1.0 2.0
   51    55    58    62   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    58    61    66   3.62500 -1.0 2.0
   55    58    61    68   3.62500 -1.0 2.0
   55    58    62    63   0.84100 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    61   -66    48   3.62500 -1.0 2.0
   58    61    66    67   3.62500 -1.0 2.0
   58    61    68    70   1.63200 -1.0 2.0
   61    58    62    63   0.84100 -1.0 2.0
   61    68    70    71   0.08050  1.0 3.0
   61    68    70    72   0.08050  1.0 3.0
   61    68    70    73   0.08050  1.0 3.0
   66    48    51    52   3.62500 -1.0 2.0
   66    48   -51    55   3.62500 -1.0 2.0
   66    61    68    70   1.63200 -1.0 2.0
   68    61    66    48   3.62500 -1.0 2.0
   68    61    66    67   3.62500 -1.0 2.0
   62    58    61    66   3.62500 -1.0 2.0
   62    58    61    68   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    44   0.09850  1.0 1.0
   39    33    37    44   0.15250 -1.0 2.0
   39    33    37    44  -0.50650  1.0 3.0
   39    33    42    43  -0.11600  1.0 1.0
   39    33    42    43  -0.09450 -1.0 2.0
   39    33    42    43   0.21250  1.0 3.0
   39    46    49    50   0.04550  1.0 1.0
   39    46    49    50   0.83000 -1.0 2.0
   39    46    49    50  -0.04000  1.0 3.0
   39    46    49    53  -0.33500  1.0 1.0
   39    46    49    53   1.06600 -1.0 2.0
   39    46    49    53  -0.14000  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    49   0.00000  1.0 1.0
   41    39    46    47   0.00000  1.0 1.0
   41    39    46    49   0.00000  1.0 1.0
   46    49    53    54   7.00000 -1.0 2.0
   46    49    53    57   7.00000 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   1.00000 -1.0 2.0
   49    53    57    59   0.15800  1.0 1.0
   49    53    57    59   1.85350 -1.0 2.0
   49    53    57    59  -0.48700  1.0 3.0
   49    53    57    77   0.15800  1.0 1.0
   49    53    57    77   1.85350 -1.0 2.0
   49    53    57    77  -0.48700  1.0 3.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    57   7.00000 -1.0 2.0
   53    57    59    60   3.62500 -1.0 2.0
   53    57    59    64   3.62500 -1.0 2.0
   53    57    77    74   3.62500 -1.0 2.0
   53    57    77    78   3.62500 -1.0 2.0
   54    53    57    59   0.56550  1.0 3.0
   54    53    57    77   0.56550  1.0 3.0
   57    59    64    65   3.62500 -1.0 2.0
   57    59    64    69   3.62500 -1.0 2.0
   59    57    77    74   3.62500 -1.0 2.0
   59    57    77    78   3.62500 -1.0 2.0
   59    64   -69    74   3.62500 -1.0 2.0
   59    64    69    75   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    69   3.62500 -1.0 2.0
   64    69    74    77   3.62500 -1.0 2.0
   64    69    74    79   3.62500 -1.0 2.0
   64    69    75    76   0.84100 -1.0 2.0
   65    64    69    74   3.62500 -1.0 2.0
   65    64    69    75   3.62500 -1.0 2.0
   69    74   -77    57   3.62500 -1.0 2.0
   69    74    77    78   3.62500 -1.0 2.0
   69    74    79    80   1.63200 -1.0 2.0
   74    69    75    76   0.84100 -1.0 2.0
   74    79    80    81   0.08050  1.0 3.0
   74    79    80    82   0.08050  1.0 3.0
   74    79    80    83   0.08050  1.0 3.0
   77    57    59    60   3.62500 -1.0 2.0
   77    57   -59    64   3.62500 -1.0 2.0
   77    74    79    80   1.63200 -1.0 2.0
   79    74    77    57   3.62500 -1.0 2.0
   79    74    77    78   3.62500 -1.0 2.0
   75    69    74    77   3.62500 -1.0 2.0
   75    69    74    79   3.62500 -1.0 2.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    44   0.67800  1.0 1.0
   42    33    37    44   0.47050 -1.0 2.0
   42    33    37    44  -0.62500  1.0 3.0
   42    33    39    40   0.23400  1.0 3.0
   42    33    39    41   0.23400  1.0 3.0
   42    33    39    46  -0.09450  1.0 1.0
   42    33    39    46  -1.12950 -1.0 2.0
   42    33    39    46   0.54000  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
   33    38    37    44  15.00000 -1.0 2.0
   48    45    44    37  15.00000 -1.0 2.0
   51    66    48    44   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   61    62    58    55   4.00000 -1.0 2.0
   66    68    61    58   4.00000 -1.0 2.0
   61    67    66    48   1.10000 -1.0 2.0
   39    49    46    47  10.50000 -1.0 2.0
   46    50    49    53  15.00000 -1.0 2.0
   57    54    53    49  15.00000 -1.0 2.0
   59    77    57    53   4.00000 -1.0 2.0
   64    60    59    57   1.10000 -1.0 2.0
   69    65    64    59   1.10000 -1.0 2.0
   74    75    69    64   4.00000 -1.0 2.0
   77    79    74    69   4.00000 -1.0 2.0
   74    78    77    57   1.10000 -1.0 2.0
END
