* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    157    249     463
    1     0 S   NP   _N1_     1    28.62904    96.18408   -22.78931
    2     1 S   H    _HN1     2     1.02783    98.46644   -88.87572
    3     1 S   H    _H1_     3     1.02952    74.96043    17.96227
    4     1 S   H    _H2_     4     1.02830    38.76641   163.03437
    5     1 S   CT   _CA1     5     1.50108   144.09221   122.11225
    6     5 S   HC   _HA1     6     1.09572   105.21736    85.22233
    7     5 S   CO3  _C1_     7     1.53807   112.46717   -35.03726
    8     7 S   O2Z  _O11     8     1.26369   115.00693   -42.30364
    9     7 S   O2Z  _O12     9     1.26242   114.96009   136.89713
   10     5 S   CT   _CB1    10     1.53093   107.43458  -156.76990
   11    10 S   HC   HB11    11     1.09827   109.42179   -49.78570
   12    10 S   HC   HB12    12     1.09815   110.41895    66.84096
   13    10 S   CT   _CG1    13     1.52966   112.57471  -170.78915
   14    13 S   HC   HG11    14     1.09589   110.55194   -64.27837
   15    13 S   HC   HG12    15     1.09666   109.86061    54.92680
   16    13 S   C    _CD1    16     1.51790   112.35374   175.39802
   17    16 S   O    _OE1    17     1.22710   123.34380     3.12493
   18    16 S   N    _N2_    18     1.38607   111.53192  -176.94175
   19    18 S   H    _HN2    19     1.01580   118.94353     2.15013
   20    18 S   CT1  _CA2    20     1.46233   123.55848   179.03693
   21    20 S   HC   _HA2    21     1.09732   109.43689     0.53995
   22    20 S   C    _C2_    22     1.53518   108.61501  -115.01162
   23    22 S   O    _O2_    23     1.23053   122.32573  -148.61721
   24    20 S   CT   _CB2    32     1.53386   111.18889   122.64618
   25    24 S   HC   HB21    33     1.09435   109.39918    55.72315
   26    24 S   HC   HB22    34     1.09465   110.12870   174.35337
   27    22 S   N    _N3_    24     1.38348   113.67606    38.90437
   28    27 S   H    _HN3    25     1.01595   119.55564    -3.45037
   29    24 S   S    _SG2    35     1.82882   111.06160   -66.80513
   30    27 S   CT   _CA3    26     1.45284   123.17173   177.06689
   31    30 S   HC   HA31    27     1.09550   107.51566   -64.31430
   32    30 S   HC   HA32    28     1.09558   107.96934    52.10890
   33    29 S   CT   _C16    36     1.86620   101.84274   148.27012
   34    30 S   CO3  _C3_    29     1.52947   114.11411   174.10352
   35    34 S   O2Z  _O31    30     1.26373   116.07334    -0.64041
   36    34 S   O2Z  _O32    31     1.26433   114.40907   179.41650
   37    33 S   CT   _C15    37     1.53848   107.46417  -169.29523
   38    37 S   HC   _H9_    38     1.09688   110.39364   166.92529
   39    37 S   HC   _H10    39     1.09764   111.58869    50.09669
   40    33 S   CT   _C17    76     1.56369   113.95195    70.74880
   41    40 S   HC   _H3_    77     1.09907   107.00574  -170.81992
   42    33 S   OS   _O39    82     1.44755   111.68139   -47.94347
   43    37 S   CO4  _C14    40     1.51867   112.74496   -72.27593
   44    43 S   O    _O35    41     1.23300   119.41579   127.56323
   45    40 S   OH   _O38    78     1.43366   109.70077   -57.70363
   46    45 S   HO   _H12    79     0.97230   108.45137  -170.79976
   47    42 S   CT   _C20    83     1.42095   117.25923   -69.61245
   48    47 S   HC   _H13    84     1.09376   107.82342   170.62776
   49    47 S   HC   _H14    85     1.09248   112.12351    51.81413
   50    47 S   HC   _H15    86     1.09328   110.71789   -71.84931
   51    43 S   CT   _C13    42     1.53748   115.96197   -55.94150
   52    51 S   OM   _O40    43     1.32198   109.56564   176.65333
   53    51 S   CO4  _C12    44     1.53339   111.08152   -69.21977
   54    53 S   O    _O34    45     1.23085   121.84204   -19.86416
   55    53 S   CA   _C10    46     1.49466   119.04987   160.86269
   56    55 S   CA   _C9_    47     1.39000   119.32189   -13.53472
   57    55 S   CA   _C11    57     1.41498   121.68233   165.73688
   58    56 S   CA   _C8_    48     1.39750   119.70946   178.75196
   59    58 S   HA   _H7_    49     1.09014   119.27629  -179.85873
   60    57 S   OH   _O33    58     1.37571   119.79492    -0.15577
   61    60 S   HO   _H8_    59     0.97306   109.90132     1.29770
   62    56 S   CO4  _C19    73     1.48338   122.02331    -1.87252
   63    62 S   O    _O36    74     1.23003   119.63286   172.49753
   64    58 S   CA   _C7_    50     1.40262   121.72458     0.52339
   65    51 S   CT   _C18    75     1.54483   109.02152    53.51289
   66    64 S   CA   _C21    51     1.40208   117.99493   179.93439
   67    66 S   HA   _H16    52     1.08896   119.97114     0.03956
   68    65 S   OH   _O37    80     1.43298   110.64068    71.15061
   69    68 S   HO   _H11    81     0.97316   107.47878  -174.32394
   70    66 S   CA   _C22    53     1.38690   120.86566   179.90109
   71    70 S   CA   _C23    54     1.39044   119.83039     0.06256
   72    70 S   OH   _O43    71     1.36745   120.21309  -179.80317
   73    72 S   HO   _H20    72     0.97237   109.05815    -0.26907
   74    71 S   CA   _C5_    55     1.41391   121.17594     0.49614
   75    71 S   CO4  _C24    64     1.46974   117.44653   179.65057
   76    75 S   O    _O41    65     1.21816   123.89228   -87.07917
   77    64 S   CA   _C6_    56     1.42151   120.87431    -0.00000
   78    74 S   CT   _C4_    60     1.51270   119.27903   179.09410
   79    78 S   HC   _H4_    61     1.09473   110.22697  -121.10776
   80    78 S   HC   _H5_    62     1.09310   113.49916    -2.58035
   81    78 S   HC   _H6_    63     1.09463   110.18301   116.57965
   82    75 S   OS   _O42    66     1.35578   107.35827    93.04020
   83    82 S   CT   _C25    67     1.42985   114.78486  -180.00000
   84    83 S   HC   _H17    68     1.09328   108.13089   179.84298
   85    83 S   HC   _H18    69     1.09431   110.30997    61.11518
   86    83 S   HC   _H19    70     1.09431   110.28029   -61.45161
  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
  18   2   1   1  13   6   5  15   7   7   9   4   5   1   3   2
   1   1  11   6  10   4  12  11  10  10   4   4   1   5   2   8
   2   8   4   1   1   9  12   3   1   8   8   2   4   3   2   1
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    65    40    41    45    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    51    62    65    40    41    45    46    68    42    47    48    49    50  
   35    36  
   36  
    0  
   38    39    43    44    51    52    53    65    40    41    45    42    47  
   39    43    44    51    40    42  
   43    44    51    40    42  
   41    45    46    68    69    42    47    43    51    52    53    56    62    63    65  
   45    46    68    42    51    62    65  
   47    48    49    50    43    45    65  
   44    51    52    53    54    55    62    65    68  
   51    52    53    65  
   46    68    51    62    65  
   65  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    62    63    65    68    69  
   53    54    55    62    65    68  
   54    55    56    58    77    57    60    62    65    68  
   55    56    57    65  
   56    58    59    64    74    77    57    60    61    62    63    65  
   58    59    64    66    77    57    60    62    63    65    68  
   60    61    78    62    58    64    66    71    74    77  
   59    64    66    67    70    74    77    62    63    65  
   64    66    77    62  
   61    64    74    77  
   77  
   63    65    68    69    64  
   65    68  
   66    67    70    71    74    77    78    72  
   68    69  
   67    70    71    74    77    75    72    73  
   70    71    77    72  
   69  
    0  
   71    74    77    78    75    76    82    72    73  
   74    77    78    79    80    81    75    76    82    83    72    73  
   73    74    75  
    0  
   77    78    79    80    81    75    76    82  
   76    82    83    84    85    86    77    78  
   82    83  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    51   317.000  1.522
   51    52   570.000  1.307
   51    53   317.000  1.522
   51    65   268.000  1.529
   53    54   570.000  1.229
   53    55   310.000  1.470
   55    56   469.000  1.400
   55    57   469.000  1.400
   56    58   469.000  1.400
   56    62   310.000  1.470
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    66   469.000  1.400
   64    77   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    74   469.000  1.400
   71    75   310.000  1.470
   74    77   469.000  1.400
   74    78   317.000  1.510
   77    57   469.000  1.400
   57    60   450.000  1.364
   60    61   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   75    76   570.000  1.229
   75    82   214.000  1.327
   82    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   72    73   553.000  0.945
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   68    69   553.000  0.945
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   33    42    47    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    51    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    51    52    90.00000  108.74100
   43    51    53    75.00000  107.99600
   43    51    65    63.00000  111.10000
   51    43    44    80.00000  120.40000
   51    53    54    80.00000  120.40000
   51    53    55    65.00000  115.47100
   51    65    62    63.00000  111.10000
   51    65    40    58.35000  112.70000
   51    65    68    50.00000  109.50000
   53    51    52    90.00000  108.74100
   53    55    56    60.00000  119.52600
   53    55    57    60.00000  119.52600
   55    53    54    75.00000  123.78400
   55    56    58    63.00000  120.00000
   55    56    62    60.00000  119.52600
   55    57    77    63.00000  120.00000
   55    57    60    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    62    63    75.00000  123.78400
   56    62    65    65.00000  115.47100
   58    64    66    63.00000  120.00000
   58    64    77    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    70    63.00000  120.00000
   64    77    74    63.00000  120.00000
   64    77    57    63.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    71    75    60.00000  119.52600
   70    72    73    35.00000  113.00000
   71    74    77    63.00000  120.00000
   71    74    78    70.00000  120.00000
   71    75    76    75.00000  123.78400
   71    75    82    81.00000  111.40000
   74    77    57    63.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    64    66    63.00000  120.00000
   77    57    60    70.00000  120.00000
   57    55    56    63.00000  120.00000
   57    60    61    35.00000  113.00000
   78    74    77    70.00000  120.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   75    71    74    60.00000  119.52600
   75    82    83    83.00000  116.90000
   82    75    76    83.00000  123.40000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   72    70    71    70.00000  120.00000
   62    56    58    60.00000  119.52600
   62    65    40    63.00000  111.10000
   62    65    68    90.00000  109.61100
   65    51    52    50.00000  109.50000
   65    51    53    63.00000  111.10000
   65    62    63    80.00000  120.40000
   65    40    41    37.50000  110.70000
   65    40    45    50.00000  109.50000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   68    65    40    50.00000  109.50000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    42    47   0.14700  1.0 1.0
   29    33    42    47  -1.16150 -1.0 2.0
   29    33    42    47   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    51   0.60050  1.0 1.0
   33    37    43    51   0.05600 -1.0 2.0
   33    37    43    51   0.26150  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   33    42    47    48   0.37050  1.0 3.0
   33    42    47    49   0.37050  1.0 3.0
   33    42    47    50   0.37050  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    33    42    47   0.06250  1.0 1.0
   37    33    42    47  -0.01100 -1.0 2.0
   37    33    42    47   0.28050  1.0 3.0
   37    43    51    52   0.55300  1.0 1.0
   37    43    51    52   1.25850 -1.0 2.0
   37    43    51    52  -0.23600  1.0 3.0
   37    43    51    53   0.65300  1.0 1.0
   37    43    51    53  -0.03850 -1.0 2.0
   37    43    51    53   0.33900  1.0 3.0
   37    43   -51    65   0.60050  1.0 1.0
   37    43   -51    65   0.05600 -1.0 2.0
   37    43   -51    65   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    51   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    51   0.00000  1.0 1.0
   43    51    53    54   0.30150 -1.0 2.0
   43    51    53    55   0.65300  1.0 1.0
   43    51    53    55  -0.03850 -1.0 2.0
   43    51    53    55   0.33900  1.0 3.0
   43    51    65    62   0.11950  1.0 1.0
   43    51    65    62   0.20300 -1.0 2.0
   43    51    65    62  -0.70800  1.0 3.0
   43    51    65    40  -0.95700  1.0 1.0
   43    51    65    40  -0.18200 -1.0 2.0
   43    51    65    40   0.29450  1.0 3.0
   43    51    65    68  -0.09450  1.0 1.0
   43    51    65    68  -1.12950 -1.0 2.0
   43    51    65    68   0.54000  1.0 3.0
   44    43    51    52   0.30150 -1.0 2.0
   44    43    51    53   0.30150 -1.0 2.0
   44    43    51    65   0.30150 -1.0 2.0
   51    53    55    56   2.26350  1.0 1.0
   51    53    55    56   0.76750 -1.0 2.0
   51    53    55    56   0.22500  1.0 3.0
   51    53    55    57   2.26350  1.0 1.0
   51    53    55    57   0.76750 -1.0 2.0
   51    53    55    57   0.22500  1.0 3.0
   51    65   -40    33   0.56750  1.0 1.0
   51    65   -40    33  -0.07550 -1.0 2.0
   51    65   -40    33   0.20000  1.0 3.0
   51    65    40    41   0.15000  1.0 3.0
   51    65    40    45   0.86500  1.0 1.0
   51    65    40    45  -0.17500 -1.0 2.0
   51    65    40    45   0.20800  1.0 3.0
   51    65    68    69  -0.11600  1.0 1.0
   51    65    68    69  -0.09450 -1.0 2.0
   51    65    68    69   0.21250  1.0 3.0
   52    51    53    54   0.30150 -1.0 2.0
   52    51    53    55   0.65300  1.0 1.0
   52    51    53    55  -0.03850 -1.0 2.0
   52    51    53    55   0.33900  1.0 3.0
   52    51    65    62  -0.09450  1.0 1.0
   52    51    65    62  -1.12950 -1.0 2.0
   52    51    65    62   0.54000  1.0 3.0
   52    51    65    40   0.62750  1.0 1.0
   52    51    65    40  -0.30950 -1.0 2.0
   52    51    65    40   0.27300  1.0 3.0
   52    51    65    68   3.69350  1.0 1.0
   52    51    65    68  -1.82950 -1.0 2.0
   53    51    65    62   0.11950  1.0 1.0
   53    51    65    62   0.20300 -1.0 2.0
   53    51    65    62  -0.70800  1.0 3.0
   53    51    65    40  -0.95700  1.0 1.0
   53    51    65    40  -0.18200 -1.0 2.0
   53    51    65    40   0.29450  1.0 3.0
   53    51    65    68  -0.09450  1.0 1.0
   53    51    65    68  -1.12950 -1.0 2.0
   53    51    65    68   0.54000  1.0 3.0
   53    55    56    58   3.62500 -1.0 2.0
   53    55   -56    62   3.62500 -1.0 2.0
   53    55    57    77   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    64   3.62500 -1.0 2.0
   55    56    62    63   1.05000 -1.0 2.0
   55    56    62    65   2.26350  1.0 1.0
   55    56    62    65   0.76750 -1.0 2.0
   55    56    62    65   0.22500  1.0 3.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    77   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   56    58    64    66   3.62500 -1.0 2.0
   56    58   -64    77   3.62500 -1.0 2.0
   56    62   -65    51   0.05850 -1.0 2.0
   56    62   -65    51   0.17250  1.0 3.0
   56    62    65    40   0.05850 -1.0 2.0
   56    62    65    40   0.17250  1.0 3.0
   56    62    65    68   0.65300  1.0 1.0
   56    62    65    68  -0.03850 -1.0 2.0
   56    62    65    68   0.33900  1.0 3.0
   58    56    62    63   1.05000 -1.0 2.0
   58    56    62    65   2.26350  1.0 1.0
   58    56    62    65   0.76750 -1.0 2.0
   58    56    62    65   0.22500  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    70   3.62500 -1.0 2.0
   58    64    77    74   3.62500 -1.0 2.0
   58    64    77    57   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   59    58    64    77   3.62500 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    77   -57    55   3.62500 -1.0 2.0
   64    77    57    60   3.62500 -1.0 2.0
   66    64    77    74   3.62500 -1.0 2.0
   66    64    77    57   3.62500 -1.0 2.0
   66    70   -71    74   3.62500 -1.0 2.0
   66    70    71    75   3.62500 -1.0 2.0
   66    70    72    73   0.84100 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    74    77   3.62500 -1.0 2.0
   70    71    74    78   3.62500 -1.0 2.0
   70    71    75    76   1.05000 -1.0 2.0
   70    71    75    82   0.98750 -1.0 2.0
   71    70    72    73   0.84100 -1.0 2.0
   71    74   -77    64   3.62500 -1.0 2.0
   71    74    77    57   3.62500 -1.0 2.0
   71    74    78    79   0.00000  1.0 1.0
   71    74    78    80   0.00000  1.0 1.0
   71    74    78    81   0.00000  1.0 1.0
   71    75    82    83   0.59950  1.0 1.0
   71    75    82    83   3.24850 -1.0 2.0
   74    71    75    76   1.05000 -1.0 2.0
   74    71    75    82   0.98750 -1.0 2.0
   74    77    57    55   3.62500 -1.0 2.0
   74    77    57    60   3.62500 -1.0 2.0
   77    64    66    67   3.62500 -1.0 2.0
   77    64   -66    70   3.62500 -1.0 2.0
   77    74    78    79   0.00000  1.0 1.0
   77    74    78    80   0.00000  1.0 1.0
   77    74    78    81   0.00000  1.0 1.0
   77    57    60    61   0.84100 -1.0 2.0
   57    55   -56    58   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   78    74    77    64   3.62500 -1.0 2.0
   78    74    77    57   3.62500 -1.0 2.0
   75    71    74    77   3.62500 -1.0 2.0
   75    71    74    78   3.62500 -1.0 2.0
   75    82    83    84   0.08050  1.0 3.0
   75    82    83    85   0.08050  1.0 3.0
   75    82    83    86   0.08050  1.0 3.0
   76    75    82    83   3.00000 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   72    70    71    75   3.62500 -1.0 2.0
   62    56    58    59   3.62500 -1.0 2.0
   62    56    58    64   3.62500 -1.0 2.0
   62    65    40    33  -0.95700  1.0 1.0
   62    65    40    33  -0.18200 -1.0 2.0
   62    65    40    33   0.29450  1.0 3.0
   62    65    40    41  -0.11250  1.0 3.0
   62    65    40    45  -0.09450  1.0 1.0
   62    65    40    45  -1.12950 -1.0 2.0
   62    65    40    45   0.54000  1.0 3.0
   62    65    68    69   0.91850  1.0 1.0
   62    65    68    69   0.57950  1.0 3.0
   63    62    65    51   0.30150 -1.0 2.0
   63    62    65    40   0.30150 -1.0 2.0
   63    62    65    68   0.30150 -1.0 2.0
   65    51    53    54   0.30150 -1.0 2.0
   65    51   -53    55   0.05850 -1.0 2.0
   65    51   -53    55   0.17250  1.0 3.0
   65    40    45    46  -0.11600  1.0 1.0
   65    40    45    46  -0.09450 -1.0 2.0
   65    40    45    46   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    43  -0.95700  1.0 1.0
   40    33   -37    43  -0.18200 -1.0 2.0
   40    33   -37    43   0.29450  1.0 3.0
   40    33    42    47   0.06250  1.0 1.0
   40    33    42    47  -0.01100 -1.0 2.0
   40    33    42    47   0.28050  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   0.23400  1.0 3.0
   68    65    40    45   3.75450  1.0 1.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    65   0.62750  1.0 1.0
   42    33    40    65  -0.30950 -1.0 2.0
   42    33    40    65   0.27300  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   3.69350  1.0 1.0
   42    33    40    45  -1.82950 -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
   37    51    43    44  10.50000 -1.0 2.0
   51    55    53    54  10.50000 -1.0 2.0
   56    57    55    53   4.00000 -1.0 2.0
   58    62    56    55   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   66    77    64    58   4.00000 -1.0 2.0
   70    67    66    64   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   74    75    71    70   4.00000 -1.0 2.0
   77    78    74    71   4.00000 -1.0 2.0
   74    57    77    64   4.00000 -1.0 2.0
   77    60    57    55   4.00000 -1.0 2.0
   71    82    75    76  10.50000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
END
