* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    234     421
    1     0 S   NP   _N1_     1    28.13033    96.12995   -23.60481
    2     1 S   H    _HN1     2     1.02957    79.41530    -8.27002
    3     1 S   H    _H1_     3     1.02835    30.04783   148.42330
    4     1 S   H    _H2_     4     1.02776   106.62706  -114.43545
    5     1 S   CT   _CA1     5     1.50146   133.39512    99.83901
    6     5 S   HC   _HA1     6     1.09574   105.19683    82.84726
    7     5 S   CO3  _C1_     7     1.53779   112.36967   -37.32477
    8     7 S   O2Z  _O11     8     1.26371   114.98527   -43.02224
    9     7 S   O2Z  _O12     9     1.26232   114.93378   136.00664
   10     5 S   CT   _CB1    10     1.53088   107.41601  -159.22733
   11    10 S   HC   HB11    11     1.09829   109.31975   -50.11270
   12    10 S   HC   HB12    12     1.09815   110.42647    66.43964
   13    10 S   CT   _CG1    13     1.53031   112.70084  -171.16222
   14    13 S   HC   HG11    14     1.09590   110.53079   -65.08509
   15    13 S   HC   HG12    15     1.09659   109.88674    54.13464
   16    13 S   C    _CD1    16     1.51849   112.26313   174.50774
   17    16 S   O    _OE1    17     1.22756   123.27074     2.47781
   18    16 S   N    _N2_    18     1.38565   111.76953  -177.59890
   19    18 S   H    _HN2    19     1.01570   119.02813     4.27494
   20    18 S   CT1  _CA2    20     1.45861   122.80001   177.58784
   21    20 S   HC   _HA2    21     1.09711   108.96568    24.70680
   22    20 S   C    _C2_    22     1.52876   106.67385   -92.61641
   23    22 S   O    _O2_    23     1.23003   122.87082   -31.12109
   24    20 S   CT   _CB2    32     1.53251   112.26973   147.99359
   25    24 S   HC   HB21    33     1.09468   109.62688    54.83727
   26    24 S   HC   HB22    34     1.09413   109.74435   173.83884
   27    22 S   N    _N3_    24     1.38447   112.72741   151.61994
   28    27 S   H    _HN3    25     1.01661   120.43487    -1.13832
   29    24 S   S    _SG2    35     1.82651   110.91610   -65.84439
   30    27 S   CT   _CA3    26     1.45373   122.38600   178.77156
   31    30 S   HC   HA31    27     1.09564   107.51985   -62.99354
   32    30 S   HC   HA32    28     1.09573   107.88098    53.31703
   33    29 S   CT   _C21    36     1.89236   101.56092   177.35632
   34    30 S   CO3  _C3_    29     1.52882   114.41785   175.38149
   35    34 S   O2Z  _O31    30     1.26321   116.07527     1.71623
   36    34 S   O2Z  _O32    31     1.26452   114.39449  -178.26089
   37    33 S   CO4  _C20    37     1.51363   106.56076   -62.04079
   38    37 S   O    _O38    38     1.22549   125.01126   -55.11991
   39    33 S   CO4  _C22    71     1.53549   105.67292    63.74377
   40    39 S   O    _O36    72     1.23964   118.77431    58.50095
   41    33 S   C    _C23    73     1.54977   105.26015  -176.73337
   42    41 S   O    _O37    74     1.23188   123.49353    37.10589
   43    37 S   CO4  _C19    39     1.49924   118.02957   127.36377
   44    43 S   O    _O39    40     1.22237   117.81262   148.55505
   45    41 S   N    _N4_    75     1.37481   115.67451  -147.24444
   46    45 S   H    _H13    76     1.01544   123.93148     4.17331
   47    45 S   H    _H14    77     1.01418   119.88791  -178.41440
   48    43 S   CT   _C17    41     1.51263   116.20647   -33.95656
   49    48 S   HC   _H3_    42     1.09982   104.93273   -63.35878
   50    48 S   CT   _C18    43     1.53643   110.99898  -178.06579
   51    50 S   HC   _H11    44     1.09787   109.05001   161.75322
   52    50 S   HC   _H12    45     1.09739   107.87905    45.61726
   53    50 S   CA   _C6_    46     1.51716   114.99127   -76.97715
   54    53 S   CA   _C7_    47     1.39774   120.50781   -19.63587
   55    54 S   CA   _C8_    48     1.40708   119.05345  -179.91153
   56    54 S   CO4  _C15    67     1.50647   120.19768    -0.08847
   57    56 S   O    _O35    68     1.23173   119.22777   171.82291
   58    55 S   CA   _C9_    49     1.42782   123.02499    -3.03970
   59    55 S   OH   _O34    65     1.37889   119.92611   177.47261
   60    59 S   HO   _H10    66     0.97194   110.11394    -1.86120
   61    48 S   CT   _C16    69     1.52463   109.92080    56.50582
   62    61 S   OM   _O40    70     1.32162   109.67403  -171.33397
   63    58 S   CA   _C10    50     1.42881   118.88528     1.27411
   64    53 S   CA   _C5_    51     1.42801   120.04442   162.16629
   65    63 S   CA   _C11    56     1.44500   116.06644  -175.01229
   66    65 S   Cl   Cl1_    57     1.74019   124.34462   170.47948
   67    64 S   CT   _C4_    52     1.51789   117.41759     7.91785
   68    67 S   HC   _H4_    53     1.09350   110.58998   -98.77636
   69    67 S   HC   _H5_    54     1.09343   112.97078    22.22015
   70    67 S   HC   _H6_    55     1.09380   110.63949   137.09944
   71    65 S   CA   _C12    58     1.40034   122.91023    -4.80660
   72    71 S   HA   _H7_    59     1.08777   121.09570  -179.52563
   73    71 S   CA   _C13    60     1.37608   120.09490     1.54990
   74    73 S   HA   _H8_    61     1.08589   119.51833  -180.00000
   75    58 S   CA   _C14    62     1.43023   122.43275  -178.52966
   76    75 S   OH   _O33    63     1.37621   120.46536    -1.89610
   77    76 S   HO   _H9_    64     0.97155   109.67915  -179.95154
  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
  15   2   1   1  12   5  13   5   6   3  10   4   2   1   1  11
   7  11   5   4  14  12  12   6   2  13   3   1   1   1  12   8
   7   3   3   2   1   1   5   3   4   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    61    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    56    61    62    39    40    41    42    45    46    47  
   35    36  
   36  
    0  
   38    43    44    48    49    50    61    39    40    41    42    45  
   43    44    48    39    41  
   40    41    42    45    43    48    49    50    54    56    57    61    62  
   41    48    56    61    62  
   42    45    46    47    43    61  
   45    46    47  
   44    48    49    50    51    52    53    56    61    62  
   48    49    50    61  
   46    47  
   47  
    0  
   49    50    51    52    53    54    64    56    57    61    62  
   50    51    52    53    56    61    62  
   51    52    53    54    55    63    64    67    56    61    62  
   52    53    54    64    61  
   53    54    64    61  
   54    55    58    63    64    67    68    69    70    65    59    56    57    61  
   55    58    63    64    67    75    59    60    56    57    61    62  
   58    63    64    65    73    75    76    59    60    56    57    61  
   57    61    62    58    59    64  
   61    62  
   63    64    67    65    66    71    73    74    75    76    77    59    60  
   60    63    75  
    0  
   62  
    0  
   64    67    68    69    70    65    66    71    72    73    75    76  
   67    68    69    70    65    66    71    75  
   66    71    72    73    74    75    67  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75    76    77  
   75    76  
   76    77  
   77  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   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   317.000  1.522
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   250.000  1.523
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    61   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   317.000  1.510
   53    54   469.000  1.400
   53    64   469.000  1.400
   54    55   469.000  1.400
   54    56   310.000  1.470
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    63   469.000  1.400
   58    75   469.000  1.400
   63    64   469.000  1.400
   63    65   469.000  1.400
   64    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   65    66   300.000  1.725
   65    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   450.000  1.364
   76    77   553.000  0.945
   59    60   553.000  0.945
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   570.000  1.307
   61    39   317.000  1.522
   39    40   570.000  1.229
   41    42   570.000  1.229
   41    45   490.000  1.335
   45    46   434.000  1.010
   45    47   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  110.18000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.45000
   33    39    61    70.00000  116.00000
   33    39    40    80.00000  120.40000
   33    41    42    80.00000  120.40000
   33    41    45    70.00000  116.60000
   37    43    44    80.00000  119.30300
   37    43    48    65.00000  115.45000
   43    37    38    80.00000  119.30300
   43    48    49    35.00000  109.50000
   43    48    50    63.00000  111.10000
   43    48    61    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    61    56    63.00000  111.10000
   48    61    62    50.00000  109.50000
   48    61    39    63.00000  111.10000
   50    48    49    37.50000  110.70000
   50    53    54    70.00000  120.00000
   50    53    64    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    56    60.00000  119.52600
   53    64    63    63.00000  120.00000
   53    64    67    70.00000  120.00000
   54    55    58    63.00000  120.00000
   54    55    59    70.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    61    65.00000  115.47100
   55    58    63    63.00000  120.00000
   55    58    75    63.00000  120.00000
   55    59    60    35.00000  113.00000
   58    63    64    63.00000  120.00000
   58    63    65    63.00000  120.00000
   58    75    73    63.00000  120.00000
   58    75    76    70.00000  120.00000
   63    64    67    70.00000  120.00000
   63    65    66    75.00000  120.00000
   63    65    71    63.00000  120.00000
   64    53    54    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   65    63    64    63.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    63.00000  120.00000
   71    65    66    75.00000  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    70.00000  120.00000
   75    58    63    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   59    55    58    70.00000  120.00000
   56    54    55    60.00000  119.52600
   56    61    62    90.00000  108.74100
   56    61    39    75.00000  107.99600
   61    48    49    37.50000  110.70000
   61    48    50    58.35000  112.70000
   61    56    57    80.00000  120.40000
   61    39    40    80.00000  120.40000
   39    33    37    75.00000  107.99600
   39    61    62    90.00000  108.74100
   41    33    37    70.00000  107.85200
   41    33    39    70.00000  107.85200
   41    45    46    35.00000  119.80000
   41    45    47    35.00000  119.80000
   45    41    42    80.00000  122.90000
   47    45    46    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    61   0.65300  1.0 1.0
   29    33    39    61  -0.03850 -1.0 2.0
   29    33    39    61   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    45   0.00000  1.0 1.0
   33    37    43    44   0.49600 -1.0 2.0
   33    37    43    48   0.77650  1.0 1.0
   33    37    43    48   2.21050 -1.0 2.0
   33    41    45    46   2.45000 -1.0 2.0
   33    41    45    47   2.45000 -1.0 2.0
   37    33    39    61   0.65300  1.0 1.0
   37    33    39    61  -0.03850 -1.0 2.0
   37    33    39    61   0.33900  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    45   0.00000  1.0 1.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.65300  1.0 1.0
   37    43    48    50  -0.03850 -1.0 2.0
   37    43    48    50   0.33900  1.0 3.0
   37    43   -48    61   0.65300  1.0 1.0
   37    43   -48    61  -0.03850 -1.0 2.0
   37    43   -48    61   0.33900  1.0 3.0
   38    37    43    44   0.06100 -1.0 2.0
   38    37    43    48   0.49600 -1.0 2.0
   43    48    50    51  -0.11250  1.0 3.0
   43    48    50    52  -0.11250  1.0 3.0
   43    48    50    53   0.56750  1.0 1.0
   43    48    50    53  -0.07550 -1.0 2.0
   43    48    50    53   0.20000  1.0 3.0
   43    48    61    56   0.11950  1.0 1.0
   43    48    61    56   0.20300 -1.0 2.0
   43    48    61    56  -0.70800  1.0 3.0
   43    48    61    62  -0.09450  1.0 1.0
   43    48    61    62  -1.12950 -1.0 2.0
   43    48    61    62   0.54000  1.0 3.0
   43    48    61    39   0.11950  1.0 1.0
   43    48    61    39   0.20300 -1.0 2.0
   43    48    61    39  -0.70800  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.30150 -1.0 2.0
   44    43    48    61   0.30150 -1.0 2.0
   48    50    53    54   0.04150 -1.0 2.0
   48    50    53    64   0.04150 -1.0 2.0
   48    61   -39    33   0.60050  1.0 1.0
   48    61   -39    33   0.05600 -1.0 2.0
   48    61   -39    33   0.26150  1.0 3.0
   48    61    39    40   0.30150 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    61    56  -0.11250  1.0 3.0
   49    48    61    62   0.23400  1.0 3.0
   49    48    61    39  -0.11250  1.0 3.0
   50    48    61    56  -0.95700  1.0 1.0
   50    48    61    56  -0.18200 -1.0 2.0
   50    48    61    56   0.29450  1.0 3.0
   50    48    61    62   0.62750  1.0 1.0
   50    48    61    62  -0.30950 -1.0 2.0
   50    48    61    62   0.27300  1.0 3.0
   50    48    61    39  -0.95700  1.0 1.0
   50    48    61    39  -0.18200 -1.0 2.0
   50    48    61    39   0.29450  1.0 3.0
   50    53    54    55   3.62500 -1.0 2.0
   50    53   -54    56   3.62500 -1.0 2.0
   50    53    64    63   3.62500 -1.0 2.0
   50    53    64    67   3.62500 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    64   0.00000  1.0 1.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    64   0.00000  1.0 1.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    56    57   1.05000 -1.0 2.0
   53    54    56    61   2.26350  1.0 1.0
   53    54    56    61   0.76750 -1.0 2.0
   53    54    56    61   0.22500  1.0 3.0
   53    64    67    68   0.00000  1.0 1.0
   53    64    67    69   0.00000  1.0 1.0
   53    64    67    70   0.00000  1.0 1.0
   54    53    64    63   3.62500 -1.0 2.0
   54    53    64    67   3.62500 -1.0 2.0
   54    55   -58    63   3.62500 -1.0 2.0
   54    55    58    75   3.62500 -1.0 2.0
   54    55    59    60   0.84100 -1.0 2.0
   54    56   -61    48   0.05850 -1.0 2.0
   54    56   -61    48   0.17250  1.0 3.0
   54    56    61    62   0.65300  1.0 1.0
   54    56    61    62  -0.03850 -1.0 2.0
   54    56    61    62   0.33900  1.0 3.0
   54    56    61    39   0.65300  1.0 1.0
   54    56    61    39  -0.03850 -1.0 2.0
   54    56    61    39   0.33900  1.0 3.0
   55    54    56    57   1.05000 -1.0 2.0
   55    54    56    61   2.26350  1.0 1.0
   55    54    56    61   0.76750 -1.0 2.0
   55    54    56    61   0.22500  1.0 3.0
   55    58    63    64   3.62500 -1.0 2.0
   55    58    63    65   3.62500 -1.0 2.0
   55    58    75    73   3.62500 -1.0 2.0
   55    58    75    76   3.62500 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   58    63   -64    53   3.62500 -1.0 2.0
   58    63    64    67   3.62500 -1.0 2.0
   58    63    65    66   3.62500 -1.0 2.0
   58    63    65    71   3.62500 -1.0 2.0
   58    75    76    77   0.84100 -1.0 2.0
   63    58    75    73   3.62500 -1.0 2.0
   63    58    75    76   3.62500 -1.0 2.0
   63    64    67    68   0.00000  1.0 1.0
   63    64    67    69   0.00000  1.0 1.0
   63    64    67    70   0.00000  1.0 1.0
   63    65    71    72   3.62500 -1.0 2.0
   63    65   -71    73   3.62500 -1.0 2.0
   64    53   -54    55   3.62500 -1.0 2.0
   64    53    54    56   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    71   3.62500 -1.0 2.0
   65    63    64    53   3.62500 -1.0 2.0
   65    63    64    67   3.62500 -1.0 2.0
   65    71    73    74   3.62500 -1.0 2.0
   65    71    73    75   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    73   -75    58   3.62500 -1.0 2.0
   71    73    75    76   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    77   0.84100 -1.0 2.0
   74    73    75    58   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    58    63    64   3.62500 -1.0 2.0
   75    58   -63    65   3.62500 -1.0 2.0
   59    55    58    63   3.62500 -1.0 2.0
   59    55    58    75   3.62500 -1.0 2.0
   56    54    55    58   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    61    39    33   0.65300  1.0 1.0
   56    61    39    33  -0.03850 -1.0 2.0
   56    61    39    33   0.33900  1.0 3.0
   56    61    39    40   0.30150 -1.0 2.0
   57    56    61    48   0.30150 -1.0 2.0
   57    56    61    62   0.30150 -1.0 2.0
   57    56    61    39   0.30150 -1.0 2.0
   61    48    50    51   0.15000  1.0 3.0
   61    48    50    52   0.15000  1.0 3.0
   61    48   -50    53  -0.03700  1.0 1.0
   61    48   -50    53   0.37200 -1.0 2.0
   61    48   -50    53  -0.47300  1.0 3.0
   62    61    39    33   0.55300  1.0 1.0
   62    61    39    33   1.25850 -1.0 2.0
   62    61    39    33  -0.23600  1.0 3.0
   62    61    39    40   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    45   0.00000  1.0 1.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    61   0.65300  1.0 1.0
   41    33    39    61  -0.03850 -1.0 2.0
   41    33    39    61   0.33900  1.0 3.0
   41    33    39    40   0.30150 -1.0 2.0
   42    41    45    46   2.45000 -1.0 2.0
   42    41    45    47   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    43    37    38  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   54    64    53    50   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   58    59    55    54   4.00000 -1.0 2.0
   63    75    58    55   4.00000 -1.0 2.0
   64    65    63    58   4.00000 -1.0 2.0
   63    67    64    53   4.00000 -1.0 2.0
   71    66    65    63   4.00000 -1.0 2.0
   73    72    71    65   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    58   4.00000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   33    61    39    40  10.50000 -1.0 2.0
   33    45    41    42  10.50000 -1.0 2.0
   47    41    45    46   1.00000 -1.0 2.0
END
