* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    238     430
    1     0 S   NP   _N1_     1    28.85666    95.57919   -24.76973
    2     1 S   H    _HN1     2     1.02948    76.20365     5.48698
    3     1 S   H    _H1_     3     1.02827    31.46681   174.25499
    4     1 S   H    _H2_     4     1.02793   113.01704   -98.88929
    5     1 S   CT   _CA1     5     1.50129   128.88234   110.75181
    6     5 S   HC   _HA1     6     1.09571   105.17679    89.25994
    7     5 S   CO3  _C1_     7     1.53783   112.44430   -30.98957
    8     7 S   O2Z  _O11     8     1.26381   115.00173   -42.44898
    9     7 S   O2Z  _O12     9     1.26230   114.95130   136.58528
   10     5 S   CT   _CB1    10     1.53063   107.40841  -152.72553
   11    10 S   HC   HB11    11     1.09840   109.39522   -48.97658
   12    10 S   HC   HB12    12     1.09811   110.44552    67.63470
   13    10 S   CT   _CG1    13     1.53014   112.62685  -169.89283
   14    13 S   HC   HG11    14     1.09574   110.72815   -66.32115
   15    13 S   HC   HG12    15     1.09667   109.71815    52.93317
   16    13 S   C    _CD1    16     1.51807   112.01625   173.46508
   17    16 S   O    _OE1    17     1.22757   123.19190    11.55793
   18    16 S   N    _N2_    18     1.38619   111.81025  -168.60414
   19    18 S   H    _HN2    19     1.01600   119.05528     1.32884
   20    18 S   CT1  _CA2    20     1.46279   123.43808   177.65348
   21    20 S   HC   _HA2    21     1.09741   109.22455     7.70085
   22    20 S   C    _C2_    22     1.53680   109.19302  -107.87404
   23    22 S   O    _O2_    23     1.23086   122.18873  -151.45943
   24    20 S   CT   _CB2    32     1.53487   111.39921   129.52888
   25    24 S   HC   HB21    33     1.09409   109.19162    56.57701
   26    24 S   HC   HB22    34     1.09396   110.01813   175.53467
   27    22 S   N    _N3_    24     1.38303   113.96976    36.15602
   28    27 S   H    _HN3    25     1.01537   119.61392    -3.52020
   29    24 S   S    _SG2    35     1.83074   110.91258   -64.08850
   30    27 S   CT   _CA3    26     1.45277   123.26251   177.11928
   31    30 S   HC   HA31    27     1.09547   107.54550   -64.08727
   32    30 S   HC   HA32    28     1.09556   107.95723    52.36153
   33    29 S   CT   _C19    36     1.89423   101.65104  -177.32058
   34    30 S   CO3  _C3_    29     1.52968   114.05732   174.35788
   35    34 S   O2Z  _O31    30     1.26382   116.08875     0.35498
   36    34 S   O2Z  _O32    31     1.26427   114.41376  -179.60287
   37    33 S   CO4  _C20    37     1.54749   106.04065   -58.50635
   38    37 S   O    _O34    38     1.23824   120.21766    93.43310
   39    33 S   CT   _C18    71     1.56142   108.75846  -179.07931
   40    39 S   OM   _O38    72     1.32560   110.33176  -176.73535
   41    39 S   HC   _H4_    73     1.10087   107.08853   -45.49325
   42    33 S   C    _C23    74     1.55784   105.60445    62.88059
   43    42 S   O    _O37    75     1.23022   124.02341  -121.28187
   44    37 S   CT   _C21    39     1.55250   118.55414   -87.45938
   45    44 S   OM   _O36    40     1.32543   105.42554   136.85918
   46    42 S   N    _N4_    76     1.37985   115.11395    59.57556
   47    46 S   H    _H13    77     1.01363   122.25704    -1.84864
   48    46 S   H    _H14    78     1.01323   120.34297   179.06560
   49    44 S   CO4  _C22    41     1.53393   110.96416  -109.06434
   50    49 S   O    _O35    42     1.23295   121.09122   -33.71942
   51    49 S   CA   _C13    43     1.50589   120.27674   147.10867
   52    51 S   CA   _C14    44     1.40266   120.04970     7.25469
   53    51 S   CA   _C12    55     1.41141   120.65026  -173.64359
   54    52 S   CA   _C5_    45     1.42151   119.48827   174.54048
   55    53 S   OH   _O39    56     1.37752   120.61073     1.94893
   56    55 S   HO   _H15    57     0.97271   109.59959    -0.19782
   57    52 S   CT   _C15    64     1.51249   120.21610    -3.74361
   58    57 S   HC   _H11    65     1.09748   108.12563    96.37110
   59    57 S   HC   _H12    66     1.09598   110.26921  -147.34294
   60    54 S   CA   _C6_    46     1.43009   120.73433     7.02981
   61    54 S   CT   _C4_    60     1.51771   119.60344  -174.53363
   62    61 S   HC   _H5_    61     1.09412   110.06218   -96.03528
   63    61 S   HC   _H6_    62     1.09360   112.48418    25.76422
   64    61 S   HC   _H7_    63     1.09450   111.37341   142.06199
   65    44 S   CT   _C16    67     1.53098   113.29361    17.64782
   66    65 S   HC   _H3_    68     1.10069   110.48055    67.17396
   67    60 S   CA   _C7_    47     1.41886   122.13481   174.54612
   68    67 S   HA   _H8_    48     1.08764   121.04089    -1.44956
   69    65 S   CO4  _C17    69     1.53592   112.85946   -48.86642
   70    69 S   O    _O33    70     1.23717   120.90934  -151.42261
   71    67 S   CA   _C8_    49     1.39346   122.74573   179.43145
   72    71 S   HA   _H9_    50     1.08594   120.09627  -180.00000
   73    71 S   CA   _C9_    51     1.38067   119.56259     0.18023
   74    73 S   HA   _H10    52     1.08595   119.46334  -179.93744
   75    73 S   CA   _C10    53     1.39571   119.30135     0.41637
   76    60 S   CA   _C11    54     1.41934   119.81645    -5.03361
   77    75 S   OH   _O40    58     1.37468   117.22817   179.62570
   78    77 S   HO   _H16    59     0.97144   109.41747    -0.29275
  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  11   5   4   3
  16   2   1   1  16   6  11   5   4   6   3  13   7   2   1   1
  11   4  13  16  10  14   4   1   8   4   3  12   5   2   1   1
   3   2   7   4   1   1   6   3   5   3   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    69    39    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    49    65    69    70    39    40    41    42    43    46    47    48  
   35    36  
   36  
    0  
   38    44    45    49    50    51    57    65    66    69    39    40    41    42    43    46  
   44    45    49    65    39    42  
   40    41    42    43    46    44    57    65    66    69    70  
   41    42    65    69    70  
   42    65    69    70  
   43    46    47    48    44    69  
   46    47    48  
   45    49    50    51    52    53    57    58    59    65    66    69    70  
   49    50    51    57    65    66    69  
   47    48  
   48  
    0  
   50    51    52    54    76    53    55    57    65    66    69  
   51    52    53    65  
   52    54    60    75    76    53    55    56    61    57    58    59    65  
   54    60    67    76    53    55    61    62    63    64    57    58    59    65    66    69  
   55    56    77    57    54    60    67    73    75    76  
   60    67    68    71    75    76    61    62    63    64    57    58    59    65  
   56    60    75    76  
   76  
   58    59    65    66    69    70    60    61  
   59    65    66    69  
   65    66    69  
   67    68    71    72    73    75    76    77    61    62    63    64  
   62    63    64    67    76  
   63    64  
   64  
    0  
   66    69    70  
   69    70  
   68    71    72    73    74    75    76  
   71    72    73    76  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   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    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  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    45   570.000  1.307
   44    49   317.000  1.522
   44    65   268.000  1.529
   49    50   570.000  1.229
   49    51   310.000  1.470
   51    52   469.000  1.400
   51    53   469.000  1.400
   52    54   469.000  1.400
   52    57   317.000  1.510
   54    60   469.000  1.400
   54    61   317.000  1.510
   60    67   469.000  1.400
   60    76   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    53   469.000  1.400
   53    55   450.000  1.364
   55    56   553.000  0.945
   77    78   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    69   317.000  1.522
   69    70   570.000  1.229
   69    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    69    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    46    70.00000  116.60000
   37    44    45    90.00000  108.74100
   37    44    49    75.00000  107.99600
   37    44    65    63.00000  111.10000
   44    37    38    80.00000  120.40000
   44    49    50    80.00000  120.40000
   44    49    51    65.00000  115.47100
   44    65    57    58.35000  112.70000
   44    65    66    37.50000  110.70000
   44    65    69    63.00000  111.10000
   49    44    45    90.00000  108.74100
   49    51    52    60.00000  119.52600
   49    51    53    60.00000  119.52600
   51    49    50    75.00000  123.78400
   51    52    54    63.00000  120.00000
   51    52    57    70.00000  120.00000
   51    53    76    63.00000  120.00000
   51    53    55    70.00000  120.00000
   52    54    60    63.00000  120.00000
   52    54    61    70.00000  120.00000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    65    70.00000  112.17500
   54    60    67    63.00000  120.00000
   54    60    76    63.00000  120.00000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   60    67    68    35.00000  120.00000
   60    67    71    63.00000  120.00000
   60    76    75    63.00000  120.00000
   60    76    53    63.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    53    63.00000  120.00000
   75    77    78    35.00000  113.00000
   76    60    67    63.00000  120.00000
   76    53    55    70.00000  120.00000
   53    51    52    63.00000  120.00000
   53    55    56    35.00000  113.00000
   77    75    76    70.00000  120.00000
   61    54    60    70.00000  120.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    52    54    70.00000  120.00000
   57    65    66    37.50000  110.70000
   57    65    69    63.00000  111.10000
   59    57    58    33.00000  107.80000
   65    44    45    50.00000  109.50000
   65    44    49    63.00000  111.10000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    69    70    80.00000  120.40000
   65    69    39    70.00000  116.00000
   69    65    66    35.00000  109.50000
   69    39    40    90.00000  108.74100
   69    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    69    70    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    46    47    35.00000  119.80000
   42    46    48    35.00000  119.80000
   46    42    43    80.00000  122.90000
   48    46    47    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    46   0.00000  1.0 1.0
   33    37    44    45   0.55300  1.0 1.0
   33    37    44    45   1.25850 -1.0 2.0
   33    37    44    45  -0.23600  1.0 3.0
   33    37    44    49   0.65300  1.0 1.0
   33    37    44    49  -0.03850 -1.0 2.0
   33    37    44    49   0.33900  1.0 3.0
   33    37    44    65   0.60050  1.0 1.0
   33    37    44    65   0.05600 -1.0 2.0
   33    37    44    65   0.26150  1.0 3.0
   33    42    46    47   2.45000 -1.0 2.0
   33    42    46    48   2.45000 -1.0 2.0
   37    33    39    69   0.11950  1.0 1.0
   37    33    39    69   0.20300 -1.0 2.0
   37    33    39    69  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    46   0.00000  1.0 1.0
   37    44    49    50   0.30150 -1.0 2.0
   37    44    49    51   0.65300  1.0 1.0
   37    44    49    51  -0.03850 -1.0 2.0
   37    44    49    51   0.33900  1.0 3.0
   37    44    65    57  -0.95700  1.0 1.0
   37    44    65    57  -0.18200 -1.0 2.0
   37    44    65    57   0.29450  1.0 3.0
   37    44    65    66  -0.11250  1.0 3.0
   37    44   -65    69   0.11950  1.0 1.0
   37    44   -65    69   0.20300 -1.0 2.0
   37    44   -65    69  -0.70800  1.0 3.0
   38    37    44    45   0.30150 -1.0 2.0
   38    37    44    49   0.30150 -1.0 2.0
   38    37    44    65   0.30150 -1.0 2.0
   44    49    51    52   2.26350  1.0 1.0
   44    49    51    52   0.76750 -1.0 2.0
   44    49    51    52   0.22500  1.0 3.0
   44    49    51    53   2.26350  1.0 1.0
   44    49    51    53   0.76750 -1.0 2.0
   44    49    51    53   0.22500  1.0 3.0
   44    65    69    70   0.30150 -1.0 2.0
   44    65    69    39   0.60050  1.0 1.0
   44    65    69    39   0.05600 -1.0 2.0
   44    65    69    39   0.26150  1.0 3.0
   45    44    49    50   0.30150 -1.0 2.0
   45    44    49    51   0.65300  1.0 1.0
   45    44    49    51  -0.03850 -1.0 2.0
   45    44    49    51   0.33900  1.0 3.0
   45    44    65    57   0.62750  1.0 1.0
   45    44    65    57  -0.30950 -1.0 2.0
   45    44    65    57   0.27300  1.0 3.0
   45    44    65    66   0.23400  1.0 3.0
   45    44    65    69  -0.09450  1.0 1.0
   45    44    65    69  -1.12950 -1.0 2.0
   45    44    65    69   0.54000  1.0 3.0
   49    44    65    57  -0.95700  1.0 1.0
   49    44    65    57  -0.18200 -1.0 2.0
   49    44    65    57   0.29450  1.0 3.0
   49    44    65    66  -0.11250  1.0 3.0
   49    44    65    69   0.11950  1.0 1.0
   49    44    65    69   0.20300 -1.0 2.0
   49    44    65    69  -0.70800  1.0 3.0
   49    51    52    54   3.62500 -1.0 2.0
   49    51   -52    57   3.62500 -1.0 2.0
   49    51    53    76   3.62500 -1.0 2.0
   49    51    53    55   3.62500 -1.0 2.0
   50    49    51    52   1.05000 -1.0 2.0
   50    49    51    53   1.05000 -1.0 2.0
   51    52    54    60   3.62500 -1.0 2.0
   51    52    54    61   3.62500 -1.0 2.0
   51    52    57    58   0.00000  1.0 1.0
   51    52    57    59   0.00000  1.0 1.0
   51    52    57    65   0.04150 -1.0 2.0
   51    53    55    56   0.84100 -1.0 2.0
   52    51    53    76   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   52    54    60    67   3.62500 -1.0 2.0
   52    54   -60    76   3.62500 -1.0 2.0
   52    54    61    62   0.00000  1.0 1.0
   52    54    61    63   0.00000  1.0 1.0
   52    54    61    64   0.00000  1.0 1.0
   52    57   -65    44  -0.03700  1.0 1.0
   52    57   -65    44   0.37200 -1.0 2.0
   52    57   -65    44  -0.47300  1.0 3.0
   52    57    65    66   0.43200  1.0 3.0
   52    57    65    69   0.56750  1.0 1.0
   52    57    65    69  -0.07550 -1.0 2.0
   52    57    65    69   0.20000  1.0 3.0
   54    52    57    58   0.00000  1.0 1.0
   54    52    57    59   0.00000  1.0 1.0
   54    52    57    65   0.04150 -1.0 2.0
   54    60    67    68   3.62500 -1.0 2.0
   54    60    67    71   3.62500 -1.0 2.0
   54    60    76    75   3.62500 -1.0 2.0
   54    60    76    53   3.62500 -1.0 2.0
   60    54    61    62   0.00000  1.0 1.0
   60    54    61    63   0.00000  1.0 1.0
   60    54    61    64   0.00000  1.0 1.0
   60    67    71    72   3.62500 -1.0 2.0
   60    67    71    73   3.62500 -1.0 2.0
   60    76   -53    51   3.62500 -1.0 2.0
   60    76    53    55   3.62500 -1.0 2.0
   67    60    76    75   3.62500 -1.0 2.0
   67    60    76    53   3.62500 -1.0 2.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71   -73    75   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -76    60   3.62500 -1.0 2.0
   73    75    76    53   3.62500 -1.0 2.0
   73    75    77    78   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76    53    51   3.62500 -1.0 2.0
   75    76    53    55   3.62500 -1.0 2.0
   76    60    67    68   3.62500 -1.0 2.0
   76    60   -67    71   3.62500 -1.0 2.0
   76    75    77    78   0.84100 -1.0 2.0
   76    53    55    56   0.84100 -1.0 2.0
   53    51   -52    54   3.62500 -1.0 2.0
   53    51    52    57   3.62500 -1.0 2.0
   77    75    76    60   3.62500 -1.0 2.0
   77    75    76    53   3.62500 -1.0 2.0
   61    54    60    67   3.62500 -1.0 2.0
   61    54    60    76   3.62500 -1.0 2.0
   57    52    54    60   3.62500 -1.0 2.0
   57    52    54    61   3.62500 -1.0 2.0
   57    65    69    70   0.30150 -1.0 2.0
   57    65    69    39   0.60050  1.0 1.0
   57    65    69    39   0.05600 -1.0 2.0
   57    65    69    39   0.26150  1.0 3.0
   58    57    65    44   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    69  -0.11250  1.0 3.0
   59    57    65    44   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    69  -0.11250  1.0 3.0
   65    44    49    50   0.30150 -1.0 2.0
   65    44   -49    51   0.05850 -1.0 2.0
   65    44   -49    51   0.17250  1.0 3.0
   65    69   -39    33   0.60050  1.0 1.0
   65    69   -39    33   0.05600 -1.0 2.0
   65    69   -39    33   0.26150  1.0 3.0
   65    69    39    40   0.55300  1.0 1.0
   65    69    39    40   1.25850 -1.0 2.0
   65    69    39    40  -0.23600  1.0 3.0
   65    69    39    41   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    39   0.00000  1.0 1.0
   70    69    39    33   0.30150 -1.0 2.0
   70    69    39    40   0.30150 -1.0 2.0
   70    69    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    46   1.39750  1.0 1.0
   39    33    42    46  -0.07950 -1.0 2.0
   39    33    42    46  -0.18750  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    69   0.11950  1.0 1.0
   42    33    39    69   0.20300 -1.0 2.0
   42    33    39    69  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    48   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    51    49    50  10.50000 -1.0 2.0
   52    53    51    49   4.00000 -1.0 2.0
   54    57    52    51   4.00000 -1.0 2.0
   60    61    54    52   4.00000 -1.0 2.0
   67    76    60    54   4.00000 -1.0 2.0
   71    68    67    60   1.10000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   75    53    76    60   4.00000 -1.0 2.0
   76    55    53    51   4.00000 -1.0 2.0
   65    39    69    70  10.50000 -1.0 2.0
   33    46    42    43  10.50000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
