* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    217     406
    1     0 S   NP   _N1_     1    28.62980    94.33996   -19.36848
    2     1 S   H    _HN1     2     1.02842    34.35968   136.69688
    3     1 S   H    _H1_     3     1.02779    81.88381   -84.03669
    4     1 S   H    _H2_     4     1.02960    95.17613    23.75372
    5     1 S   CT   _CA1     5     1.50069   143.54231   159.24423
    6     5 S   HC   _HA1     6     1.09570   105.31239    45.90286
    7     5 S   CO3  _C1_     7     1.53711   112.26468   -74.48629
    8     7 S   O2Z  _O11     8     1.26331   114.99402   -47.56355
    9     7 S   O2Z  _O12     9     1.26189   114.88138   131.70089
   10     5 S   CT   _CB1    10     1.53058   107.47702   163.89276
   11    10 S   HC   HB11    11     1.09825   109.42855   -50.91222
   12    10 S   HC   HB12    12     1.09827   110.39020    65.63563
   13    10 S   CT   _CG1    13     1.53024   112.64464  -172.00002
   14    13 S   HC   HG11    14     1.09617   110.47162   -61.60084
   15    13 S   HC   HG12    15     1.09634   110.05982    57.69832
   16    13 S   C    _CD1    16     1.51775   112.11924   178.14217
   17    16 S   O    _OE1    17     1.22731   123.23364    -3.00061
   18    16 S   N    _N2_    18     1.38608   111.70568   176.77341
   19    18 S   H    _HN2    19     1.01602   119.07682     2.09237
   20    18 S   CT1  _CA2    20     1.46286   123.27192  -177.37088
   21    20 S   HC   _HA2    21     1.09727   109.38477   -12.07935
   22    20 S   C    _C2_    22     1.53383   108.62482  -127.94741
   23    22 S   O    _O2_    23     1.23017   122.13967  -147.19047
   24    20 S   CT   _CB2    32     1.53455   111.13402   109.83234
   25    24 S   HC   HB21    33     1.09395   109.26826    57.24297
   26    24 S   HC   HB22    34     1.09507   110.76472   175.62933
   27    22 S   N    _N3_    24     1.38473   113.41624    40.23301
   28    27 S   H    _HN3    25     1.01529   118.91212    -0.83720
   29    24 S   S    _SG2    35     1.82899   111.46389   -64.82709
   30    27 S   CT   _CA3    26     1.45467   123.58635   175.14239
   31    30 S   HC   HA31    27     1.09513   109.40998    20.67140
   32    30 S   HC   HA32    28     1.09501   107.07289   137.70658
   33    29 S   CT   _C20    36     1.83031   100.24341   156.17252
   34    33 S   HC   _H3_    37     1.09532   108.82164    45.85443
   35    30 S   CO3  _C3_    29     1.52921   113.02125  -102.92686
   36    35 S   O2Z  _O31    30     1.26410   115.37476   -44.71957
   37    35 S   O2Z  _O32    31     1.26350   115.00103   136.19152
   38    33 S   CO4  _C18    38     1.51093   109.15581   -71.94413
   39    38 S   O    _O23    39     1.22874   121.20342   100.23950
   40    38 S   CA   _C6_    40     1.48921   118.50603   -78.26585
   41    40 S   CA   _C7_    41     1.40308   119.61240   -17.65155
   42    41 S   CA   _C15    42     1.40533   119.04258   178.40088
   43    41 S   CO4  _C17    70     1.49080   120.22839    -2.52422
   44    43 S   O    _O22    71     1.22910   120.48446   176.49306
   45    42 S   CA   _C12    43     1.40245   120.94316     0.46814
   46    42 S   OH   _O26    68     1.37301   122.65933  -179.94065
   47    46 S   HO   _H44    69     0.97334   109.38500     1.29588
   48    33 S   CT   _C19    72     1.52217   110.98227   166.47993
   49    48 S   HC   _H32    73     1.09853   110.86428   -50.08914
   50    45 S   CA   _C9_    44     1.39168   120.09706     0.31027
   51    45 S   OS   _O24    58     1.37258   116.39325   179.52153
   52    48 S   OS   _O28    74     1.43067   110.84954  -172.70209
   53    40 S   CA   _C14    45     1.41101   120.52917   161.43637
   54    50 S   CO4  _C16    48     1.48199   117.72405   178.32977
   55    54 S   O    _O21    49     1.22231   121.09144  -169.13889
   56    52 S   CT   _C23    75     1.42165   112.96954    89.55172
   57    56 S   HC   _H40    76     1.09330   108.23677  -178.75463
   58    56 S   HC   _H41    77     1.09421   110.35607    62.69601
   59    56 S   HC   _H42    78     1.09341   111.03693   -59.73665
   60    53 S   OH   _O25    46     1.37109   121.35549    -0.22814
   61    60 S   HO   _H43    47     0.97269   109.94008     6.82605
   62    54 S   CA   _C8_    50     1.48123   117.59054     9.20914
   63    62 S   CA   _C10    51     1.40872   123.29168   171.05732
   64    63 S   CA   _C4_    52     1.40704   118.58771   178.92371
   65    64 S   HA   _H30    53     1.08908   119.61948  -179.79064
   66    63 S   CT   _C21    64     1.50342   123.48796    -1.25211
   67    66 S   HC   _H34    65     1.09456   110.58631   -55.89211
   68    66 S   HC   _H35    66     1.09437   110.42292    66.29581
   69    66 S   HC   _H36    67     1.09565   111.58813  -174.55515
   70    64 S   CA   _C13    54     1.39802   121.65174     0.45241
   71    70 S   CA   _C5_    55     1.39188   119.03823     0.00000
   72    71 S   HA   _H31    56     1.08604   121.53965   179.71954
   73    70 S   OS   _O27    59     1.36919   115.00172   179.91153
   74    62 S   CA   _C11    57     1.39608   116.99393    -9.14280
   75    73 S   CT   _C22    60     1.42273   116.79906  -179.44433
   76    75 S   HC   _H37    61     1.09428   107.75163   179.77532
   77    75 S   HC   _H38    62     1.09503   111.14055    62.01553
   78    75 S   HC   _H39    63     1.09501   111.12861   -62.47424
  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   9   5   4   3
  12   7   2   1   1  11   4  12  13  11   8   3  11   3   1   6
   2   9   8   4   5   8   3   3   2   1   1   1   1  11  10  11
   4   5   2   1   1   8   4   2   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    48    49    52    56  
   38    39    40    43    48    49    52  
   36    37  
   37  
    0  
   39    40    41    42    50    53    60    43    48    49    52  
   40    41    53    48  
   41    42    45    50    53    60    61    54    46    43    44    48  
   42    45    50    53    60    51    46    47    43    44    48    49    52  
   45    50    53    54    74    51    46    47    43    44    48  
   44    48    49    52    56    45    46    53  
   48    49    52  
   50    53    60    54    55    62    71    74    51    46    47  
   47    50    51  
    0  
   49    52    56    57    58    59  
   52    56  
   53    60    61    54    55    62    63    74    51  
   53    54    62    63    70    71    72    74  
   56    57    58    59  
   60    61    54    55    62  
   55    62    63    64    71    74    66    60  
   62    63    74  
   57    58    59  
   58    59  
   59  
    0  
   61  
    0  
   63    64    65    70    71    72    74    66    67    68    69  
   64    65    70    71    74    73    66    67    68    69  
   65    70    71    72    74    73    75    66    67    68    69  
   70    71    73    66  
   67    68    69    70    74  
   68    69  
   69  
    0  
   71    72    74    73    75    76    77    78  
   72    74    73    75  
   74    73  
   75    76    77    78    74  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    53   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    50   469.000  1.400
   45    51   450.000  1.364
   50    53   469.000  1.400
   50    54   310.000  1.470
   53    60   450.000  1.364
   60    61   553.000  0.945
   54    55   570.000  1.229
   54    62   310.000  1.470
   62    63   469.000  1.400
   62    74   469.000  1.400
   63    64   469.000  1.400
   63    66   317.000  1.510
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    51   450.000  1.364
   73    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   46    47   553.000  0.945
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    43    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    53    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    53    50    63.00000  120.00000
   40    53    60    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    48    65.00000  115.47100
   42    45    50    63.00000  120.00000
   42    45    51    70.00000  120.00000
   42    46    47    35.00000  113.00000
   45    50    53    63.00000  120.00000
   45    50    54    60.00000  119.52600
   45    51    74    85.00000  114.70000
   50    53    60    70.00000  120.00000
   50    54    55    75.00000  123.78400
   50    54    62    65.00000  116.00000
   53    40    41    63.00000  120.00000
   53    60    61    35.00000  113.00000
   54    50    53    60.00000  119.52600
   54    62    63    60.00000  119.52600
   54    62    74    60.00000  119.52600
   62    54    55    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    66    70.00000  120.00000
   62    74    71    63.00000  120.00000
   62    74    51    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    70    63.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   64    70    71    63.00000  120.00000
   64    70    73    70.00000  120.00000
   70    64    65    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    73    75    75.00000  111.00000
   71    74    51    70.00000  120.00000
   74    62    63    63.00000  120.00000
   74    71    72    35.00000  120.00000
   51    45    50    70.00000  120.00000
   73    70    71    70.00000  120.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    63    64    70.00000  120.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   46    42    45    70.00000  120.00000
   43    41    42    60.00000  119.52600
   43    48    49    35.00000  109.50000
   43    48    52    90.00000  108.74100
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    52    56    60.00000  109.50000
   52    48    49    35.00000  109.50000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    53   2.26350  1.0 1.0
   33    38    40    53   0.76750 -1.0 2.0
   33    38    40    53   0.22500  1.0 3.0
   33    48    52    56   0.06250  1.0 1.0
   33    48    52    56  -0.01100 -1.0 2.0
   33    48    52    56   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43  -0.11250  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    52   0.23400  1.0 3.0
   38    33    48    43   0.11950  1.0 1.0
   38    33    48    43   0.20300 -1.0 2.0
   38    33    48    43  -0.70800  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    52  -0.09450  1.0 1.0
   38    33    48    52  -1.12950 -1.0 2.0
   38    33    48    52   0.54000  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    53    50   3.62500 -1.0 2.0
   38    40    53    60   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    53   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    48   2.26350  1.0 1.0
   40    41    43    48   0.76750 -1.0 2.0
   40    41    43    48   0.22500  1.0 3.0
   40    53    60    61   0.84100 -1.0 2.0
   41    40    53    50   3.62500 -1.0 2.0
   41    40    53    60   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    45    51   3.62500 -1.0 2.0
   41    42    46    47   0.84100 -1.0 2.0
   41    43   -48    33   0.05850 -1.0 2.0
   41    43   -48    33   0.17250  1.0 3.0
   41    43    48    49   0.00000  1.0 1.0
   41    43    48    52   0.65300  1.0 1.0
   41    43    48    52  -0.03850 -1.0 2.0
   41    43    48    52   0.33900  1.0 3.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    48   2.26350  1.0 1.0
   42    41    43    48   0.76750 -1.0 2.0
   42    41    43    48   0.22500  1.0 3.0
   42    45    50    53   3.62500 -1.0 2.0
   42    45    50    54   3.62500 -1.0 2.0
   42    45    51    74   0.47150 -1.0 2.0
   45    42    46    47   0.84100 -1.0 2.0
   45    50   -53    40   3.62500 -1.0 2.0
   45    50    53    60   3.62500 -1.0 2.0
   45    50    54    55   1.05000 -1.0 2.0
   45    50    54    62   0.56600 -1.0 2.0
   50    45    51    74   0.47150 -1.0 2.0
   50    53    60    61   0.84100 -1.0 2.0
   50    54    62    63   0.56600 -1.0 2.0
   50    54   -62    74   0.56600 -1.0 2.0
   53    40   -41    42   3.62500 -1.0 2.0
   53    40    41    43   3.62500 -1.0 2.0
   53    50    54    55   1.05000 -1.0 2.0
   53    50    54    62   0.56600 -1.0 2.0
   54    50    53    40   3.62500 -1.0 2.0
   54    50    53    60   3.62500 -1.0 2.0
   54    62    63    64   3.62500 -1.0 2.0
   54    62    63    66   3.62500 -1.0 2.0
   54    62    74    71   3.62500 -1.0 2.0
   54    62    74    51   3.62500 -1.0 2.0
   55    54    62    63   1.05000 -1.0 2.0
   55    54    62    74   1.05000 -1.0 2.0
   62    63    64    65   3.62500 -1.0 2.0
   62    63    64    70   3.62500 -1.0 2.0
   62    63    66    67   0.00000  1.0 1.0
   62    63    66    68   0.00000  1.0 1.0
   62    63    66    69   0.00000  1.0 1.0
   62    74   -51    45   0.47150 -1.0 2.0
   63    62    74    71   3.62500 -1.0 2.0
   63    62    74    51   3.62500 -1.0 2.0
   63    64   -70    71   3.62500 -1.0 2.0
   63    64    70    73   3.62500 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   64    70    71    72   3.62500 -1.0 2.0
   64    70    71    74   3.62500 -1.0 2.0
   64    70    73    75   1.63200 -1.0 2.0
   65    64    70    71   3.62500 -1.0 2.0
   65    64    70    73   3.62500 -1.0 2.0
   70    71   -74    62   3.62500 -1.0 2.0
   70    71    74    51   3.62500 -1.0 2.0
   70    73    75    76   0.08050  1.0 3.0
   70    73    75    77   0.08050  1.0 3.0
   70    73    75    78   0.08050  1.0 3.0
   71    70    73    75   1.63200 -1.0 2.0
   71    74    51    45   0.47150 -1.0 2.0
   72    71    74    62   3.62500 -1.0 2.0
   72    71    74    51   3.62500 -1.0 2.0
   74    62   -63    64   3.62500 -1.0 2.0
   74    62    63    66   3.62500 -1.0 2.0
   51    45    50    53   3.62500 -1.0 2.0
   51    45   -50    54   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    74   3.62500 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    70   3.62500 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   46    42    45    51   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    48    52    56  -1.11000  1.0 1.0
   43    48    52    56   0.50250 -1.0 2.0
   43    48    52    56   0.47450  1.0 3.0
   44    43    48    33   0.30150 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    52   0.30150 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.05850 -1.0 2.0
   48    33   -38    40   0.17250  1.0 3.0
   48    52    56    57   0.37050  1.0 3.0
   48    52    56    58   0.37050  1.0 3.0
   48    52    56    59   0.37050  1.0 3.0
   49    48    52    56   0.37050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    53    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    51    45    42   4.00000 -1.0 2.0
   53    54    50    45   4.00000 -1.0 2.0
   50    60    53    40   4.00000 -1.0 2.0
   50    62    54    55  10.50000 -1.0 2.0
   63    74    62    54   4.00000 -1.0 2.0
   64    66    63    62   4.00000 -1.0 2.0
   70    65    64    63   1.10000 -1.0 2.0
   71    73    70    64   4.00000 -1.0 2.0
   74    72    71    70   1.10000 -1.0 2.0
   71    51    74    62   4.00000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
END
