* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    142    217     417
    1     0 S   NP   _N1_     1    29.69834    90.36771   -20.73708
    2     1 S   H    _HN1     2     1.02762    93.85827   -61.14425
    3     1 S   H    _H1_     3     1.03254   121.77558    52.60114
    4     1 S   H    _H2_     4     1.02796    16.98445    86.06101
    5     1 S   CT   _CA1     5     1.50128   109.76082  -176.34141
    6     5 S   HC   _HA1     6     1.09568   105.32670    44.41004
    7     5 S   CO3  _C1_     7     1.53887   112.21100   -75.82625
    8     7 S   O2Z  _O11     8     1.26382   115.22504   -49.57528
    9     7 S   O2Z  _O12     9     1.26252   114.84369   129.60918
   10     5 S   CT   _CB1    10     1.52981   107.12115   162.18419
   11    10 S   HC   HB11    11     1.09829   109.41787   -50.68266
   12    10 S   HC   HB12    12     1.09760   110.31621    65.58180
   13    10 S   CT   _CG1    13     1.53033   113.23547  -172.18420
   14    13 S   HC   HG11    14     1.09488   110.38055   -54.17132
   15    13 S   HC   HG12    15     1.09545   110.68393    65.15406
   16    13 S   C    _CD1    16     1.51735   110.06317  -175.45886
   17    16 S   O    _OE1    17     1.22861   122.27256   -40.61929
   18    16 S   N    _N2_    18     1.38407   112.78649   139.30358
   19    18 S   H    _HN2    19     1.01550   119.48208     4.46796
   20    18 S   CT1  _CA2    20     1.46170   122.96976  -173.03601
   21    20 S   HC   _HA2    21     1.09718   109.44025   -10.87929
   22    20 S   C    _C2_    22     1.53288   108.69509  -127.00481
   23    22 S   O    _O2_    23     1.23022   122.18345  -145.49381
   24    20 S   CT   _CB2    32     1.53510   111.18347   110.67540
   25    24 S   HC   HB21    33     1.09620   109.63519    59.51036
   26    24 S   HC   HB22    34     1.09514   110.34505   178.42953
   27    22 S   N    _N3_    24     1.38485   113.39556    41.83052
   28    27 S   H    _HN3    25     1.01532   118.93285    -0.50007
   29    24 S   S    _SG2    35     1.82885   112.07165   -60.97924
   30    27 S   CT   _CA3    26     1.45438   123.34152   175.20703
   31    30 S   HC   HA31    27     1.09532   109.10370    26.86170
   32    30 S   HC   HA32    28     1.09493   107.15433   143.83410
   33    29 S   CT   _C12    36     1.84217    99.54197   174.72144
   34    33 S   HC   _H3_    37     1.09877   106.43270   -16.94688
   35    30 S   CO3  _C3_    29     1.52930   113.21432   -96.52879
   36    35 S   O2Z  _O31    30     1.26393   115.44638   -43.99227
   37    35 S   O2Z  _O32    31     1.26363   114.95898   136.96543
   38    33 S   CT   _C13    38     1.52619   107.81967    96.97740
   39    38 S   HC   _H9_    39     1.09381   112.38634    63.00269
   40    38 S   HC   _H10    40     1.09757   110.02188   -57.16210
   41    38 S   CO4  _C14    41     1.51137   111.11217  -174.93426
   42    41 S   O    _O34    42     1.23252   119.91804   164.12564
   43    41 S   CT   _C15    43     1.51946   118.18760   -13.69392
   44    43 S   HC   _H4_    44     1.09799   105.79858    82.95505
   45    43 S   CO4  _C16    45     1.52383   113.69705   -33.31814
   46    45 S   O    _O35    46     1.23553   120.70054  -142.69141
   47    43 S   CO4  _C17    74     1.52469   111.81877  -160.37852
   48    47 S   O    _O36    75     1.23136   121.90186    54.60381
   49    33 S   CT   _C11    47     1.56982   114.36520  -134.76629
   50    47 S   CT   _C18    76     1.50602   116.88852  -126.84650
   51    50 S   HC   _H11    77     1.09277   109.55778    60.99966
   52    50 S   HC   _H12    78     1.09273   109.58343   -60.12057
   53    50 S   HC   _H13    79     1.09349   109.69992  -179.63256
   54    49 S   CA   _C9_    48     1.56370   114.23139   -49.65842
   55    49 S   CT   _C19    70     1.56048   107.18807    78.06923
   56    55 S   HC   _H14    71     1.09834   111.05287    68.38122
   57    55 S   HC   _H15    72     1.09407   113.01109   -50.17997
   58    55 S   HC   _H16    73     1.09678   111.63440  -172.78501
   59    54 S   CA   _C8_    49     1.41570   122.89774    96.38097
   60    59 S   CA   _C7_    50     1.40605   121.26063   176.46526
   61    59 S   OH   _O37    68     1.36927   119.15147    -3.38680
   62    61 S   HO   _H17    69     0.97392   112.11723   178.33376
   63    60 S   CA   _C6_    51     1.39674   120.90852     2.65336
   64    60 S   CO4  _C20    62     1.47742   120.64479  -177.60306
   65    64 S   O    _O38    63     1.22639   119.55235   -69.62096
   66    63 S   CA   _C5_    52     1.39807   120.29582     1.41665
   67    63 S   OH   _O39    60     1.37068   117.75446  -179.55765
   68    67 S   HO   _H21    61     0.97045   109.98472   164.15630
   69    64 S   CT   _C21    64     1.50441   117.58769   109.95547
   70    69 S   HC   _H18    65     1.09287   109.35649   113.41092
   71    69 S   HC   _H19    66     1.09361   111.34638    -7.15867
   72    69 S   HC   _H20    67     1.09345   108.96693  -126.30789
   73    54 S   CA   _C10    53     1.42396   121.24206   -83.97805
   74    66 S   CT   _C4_    56     1.50738   120.91345   176.25383
   75    74 S   HC   _H5_    57     1.09399   110.05913    87.89774
   76    74 S   HC   _H6_    58     1.09482   111.72797  -150.65619
   77    74 S   HC   _H7_    59     1.09485   111.48915   -33.50670
   78    73 S   OH   _O33    54     1.37439   118.22436     0.30132
   79    78 S   HO   _H8_    55     0.97146   109.65650  -150.34582
  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
  17   8   2   1   1  11   5   4   9   4  12   6  12   4   6   4
  11   3   2   1   1  15   5   2   1   1  11  14   4   1  12   7
   4   9   3   1   3   2   1   1   6   4   2   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    49    54    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    49    54    59    73    55    56    57    58  
   38    39    40    41    45    49    54    55  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    49    54    55    47  
   40    41    42    43    49  
   41    42    43    49  
   42    43    44    45    46    49    47    48    50  
   43    44    45    47  
   44    45    46    49    54    55    47    48    50    51    52    53  
   45    46    49    47    48    50  
   46    49    54    59    73    55    56    57    58    47    48    50  
   49    54    55    47  
   48    50    51    52    53    49  
   50    51    52    53  
   54    59    60    66    73    78    61    55    56    57    58  
   51    52    53  
   52    53  
   53  
    0  
   59    60    63    66    73    78    79    74    64    61    62    55    56    57    58  
   56    57    58    59    73  
   57    58  
   58  
    0  
   60    63    66    73    78    67    64    65    69    61    62  
   63    66    73    74    67    68    64    65    69    70    71    72    61    62  
   62    63    64    73  
    0  
   66    73    78    74    75    76    77    67    68    64    65    69  
   65    69    70    71    72    66    67  
   69    70    71    72  
   73    78    79    74    75    76    77    67    68  
   68    73    74  
    0  
   70    71    72  
   71    72  
   72  
    0  
   78    79    74    75    76    77  
   75    76    77    78  
   76    77  
   77  
    0  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   317.000  1.522
   43    47   317.000  1.522
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    54   317.000  1.510
   49    55   268.000  1.529
   54    59   469.000  1.400
   54    73   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    63   469.000  1.400
   60    64   310.000  1.470
   63    66   469.000  1.400
   63    67   450.000  1.364
   66    73   469.000  1.400
   66    74   317.000  1.510
   73    78   450.000  1.364
   78    79   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   67    68   553.000  0.945
   64    65   570.000  1.229
   64    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   61    62   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   47    48   570.000  1.229
   47    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    49    45    63.00000  111.10000
   33    49    54    70.00000  112.17500
   33    49    55    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    75.00000  107.99600
   41    43    47    75.00000  107.99600
   43    41    42    80.00000  120.40000
   43    45    46    80.00000  120.40000
   43    45    49    70.00000  116.00000
   43    47    48    80.00000  120.40000
   43    47    50    70.00000  116.00000
   45    43    44    35.00000  109.50000
   45    49    54    70.00000  110.93000
   45    49    55    63.00000  111.10000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    45    46    80.00000  120.40000
   49    54    59    70.00000  120.00000
   49    54    73    70.00000  120.00000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   54    59    60    63.00000  120.00000
   54    59    61    70.00000  120.00000
   54    73    66    63.00000  120.00000
   54    73    78    70.00000  120.00000
   59    60    63    63.00000  120.00000
   59    60    64    60.00000  119.52600
   59    61    62    35.00000  113.00000
   60    63    66    63.00000  120.00000
   60    63    67    70.00000  120.00000
   60    64    65    75.00000  123.78400
   60    64    69    65.00000  115.47100
   63    66    73    63.00000  120.00000
   63    66    74    70.00000  120.00000
   63    67    68    35.00000  113.00000
   66    73    78    70.00000  120.00000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    77    35.00000  109.50000
   73    54    59    63.00000  120.00000
   73    78    79    35.00000  113.00000
   74    66    73    70.00000  120.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   67    63    66    70.00000  120.00000
   64    60    63    60.00000  119.52600
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   69    64    65    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   61    59    60    70.00000  120.00000
   55    49    54    70.00000  112.17500
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    75.00000  107.99600
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   50    47    48    80.00000  120.40000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    54   0.56750  1.0 1.0
   29    33    49    54  -0.07550 -1.0 2.0
   29    33    49    54   0.20000  1.0 3.0
   29    33    49    55   0.44750  1.0 1.0
   29    33    49    55  -0.17800 -1.0 2.0
   29    33    49    55   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    49    54    59   0.04150 -1.0 2.0
   33    49    54    73   0.04150 -1.0 2.0
   33    49    55    56   0.15000  1.0 3.0
   33    49    55    57   0.15000  1.0 3.0
   33    49    55    58   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    49    45  -0.11250  1.0 3.0
   34    33    49    54   0.43200  1.0 3.0
   34    33    49    55   0.15000  1.0 3.0
   38    33    49    45  -0.95700  1.0 1.0
   38    33    49    45  -0.18200 -1.0 2.0
   38    33    49    45   0.29450  1.0 3.0
   38    33    49    54  -0.03700  1.0 1.0
   38    33    49    54   0.37200 -1.0 2.0
   38    33    49    54  -0.47300  1.0 3.0
   38    33    49    55   0.56750  1.0 1.0
   38    33    49    55  -0.07550 -1.0 2.0
   38    33    49    55   0.20000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41   -43    45   0.65300  1.0 1.0
   38    41   -43    45  -0.03850 -1.0 2.0
   38    41   -43    45   0.33900  1.0 3.0
   38    41    43    47   0.65300  1.0 1.0
   38    41    43    47  -0.03850 -1.0 2.0
   38    41    43    47   0.33900  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   0.30150 -1.0 2.0
   41    43    45    49   0.65300  1.0 1.0
   41    43    45    49  -0.03850 -1.0 2.0
   41    43    45    49   0.33900  1.0 3.0
   41    43    47    48   0.30150 -1.0 2.0
   41    43    47    50   0.65300  1.0 1.0
   41    43    47    50  -0.03850 -1.0 2.0
   41    43    47    50   0.33900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    45   -49    33   0.60050  1.0 1.0
   43    45   -49    33   0.05600 -1.0 2.0
   43    45   -49    33   0.26150  1.0 3.0
   43    45    49    54   0.65300  1.0 1.0
   43    45    49    54  -0.03850 -1.0 2.0
   43    45    49    54   0.33900  1.0 3.0
   43    45    49    55   0.60050  1.0 1.0
   43    45    49    55   0.05600 -1.0 2.0
   43    45    49    55   0.26150  1.0 3.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    52   0.00000  1.0 1.0
   43    47    50    53   0.00000  1.0 1.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    50   0.00000  1.0 1.0
   45    43    47    48   0.30150 -1.0 2.0
   45    43    47    50   0.65300  1.0 1.0
   45    43    47    50  -0.03850 -1.0 2.0
   45    43    47    50   0.33900  1.0 3.0
   45    49    54    59   0.04300 -1.0 2.0
   45    49    54    73   0.04300 -1.0 2.0
   45    49    55    56  -0.11250  1.0 3.0
   45    49    55    57  -0.11250  1.0 3.0
   45    49    55    58  -0.11250  1.0 3.0
   46    45    49    33   0.30150 -1.0 2.0
   46    45    49    54   0.30150 -1.0 2.0
   46    45    49    55   0.30150 -1.0 2.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41  -0.95700  1.0 1.0
   49    33   -38    41  -0.18200 -1.0 2.0
   49    33   -38    41   0.29450  1.0 3.0
   49    54    59    60   3.62500 -1.0 2.0
   49    54    59    61   3.62500 -1.0 2.0
   49    54    73    66   3.62500 -1.0 2.0
   49    54    73    78   3.62500 -1.0 2.0
   54    49    55    56   0.43200  1.0 3.0
   54    49    55    57   0.43200  1.0 3.0
   54    49    55    58   0.43200  1.0 3.0
   54    59    60    63   3.62500 -1.0 2.0
   54    59    60    64   3.62500 -1.0 2.0
   54    59    61    62   0.84100 -1.0 2.0
   54    73    78    79   0.84100 -1.0 2.0
   59    54    73    66   3.62500 -1.0 2.0
   59    54    73    78   3.62500 -1.0 2.0
   59    60   -63    66   3.62500 -1.0 2.0
   59    60    63    67   3.62500 -1.0 2.0
   59    60    64    65   1.05000 -1.0 2.0
   59    60    64    69   2.26350  1.0 1.0
   59    60    64    69   0.76750 -1.0 2.0
   59    60    64    69   0.22500  1.0 3.0
   60    59    61    62   0.84100 -1.0 2.0
   60    63    66    73   3.62500 -1.0 2.0
   60    63    66    74   3.62500 -1.0 2.0
   60    63    67    68   0.84100 -1.0 2.0
   60    64    69    70   0.00000  1.0 1.0
   60    64    69    71   0.00000  1.0 1.0
   60    64    69    72   0.00000  1.0 1.0
   63    60    64    65   1.05000 -1.0 2.0
   63    60    64    69   2.26350  1.0 1.0
   63    60    64    69   0.76750 -1.0 2.0
   63    60    64    69   0.22500  1.0 3.0
   63    66   -73    54   3.62500 -1.0 2.0
   63    66    73    78   3.62500 -1.0 2.0
   63    66    74    75   0.00000  1.0 1.0
   63    66    74    76   0.00000  1.0 1.0
   63    66    74    77   0.00000  1.0 1.0
   66    63    67    68   0.84100 -1.0 2.0
   66    73    78    79   0.84100 -1.0 2.0
   73    54   -59    60   3.62500 -1.0 2.0
   73    54    59    61   3.62500 -1.0 2.0
   73    66    74    75   0.00000  1.0 1.0
   73    66    74    76   0.00000  1.0 1.0
   73    66    74    77   0.00000  1.0 1.0
   74    66    73    54   3.62500 -1.0 2.0
   74    66    73    78   3.62500 -1.0 2.0
   67    63    66    73   3.62500 -1.0 2.0
   67    63    66    74   3.62500 -1.0 2.0
   64    60    63    66   3.62500 -1.0 2.0
   64    60    63    67   3.62500 -1.0 2.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   65    64    69    72   0.00000  1.0 1.0
   61    59    60    63   3.62500 -1.0 2.0
   61    59    60    64   3.62500 -1.0 2.0
   55    49    54    59   0.04150 -1.0 2.0
   55    49    54    73   0.04150 -1.0 2.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    49   0.65300  1.0 1.0
   47    43    45    49  -0.03850 -1.0 2.0
   47    43    45    49   0.33900  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    53   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   43    49    45    46  10.50000 -1.0 2.0
   59    73    54    49   4.00000 -1.0 2.0
   60    61    59    54   4.00000 -1.0 2.0
   63    64    60    59   4.00000 -1.0 2.0
   66    67    63    60   4.00000 -1.0 2.0
   73    74    66    63   4.00000 -1.0 2.0
   66    78    73    54   4.00000 -1.0 2.0
   60    69    64    65  10.50000 -1.0 2.0
   43    50    47    48  10.50000 -1.0 2.0
END
