* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    237     426
    1     0 S   NP   _N1_     1    29.10075    93.42911   -23.59182
    2     1 S   H    _HN1     2     1.02825    24.99246   177.47059
    3     1 S   H    _H1_     3     1.02787   109.01099   -90.78420
    4     1 S   H    _H2_     4     1.02948    83.47634    16.44643
    5     1 S   CT   _CA1     5     1.50125   128.63111   127.38823
    6     5 S   HC   _HA1     6     1.09574   105.17451    79.52789
    7     5 S   CO3  _C1_     7     1.53777   112.44936   -40.67747
    8     7 S   O2Z  _O11     8     1.26375   115.00154   -42.58811
    9     7 S   O2Z  _O12     9     1.26236   114.94207   136.45049
   10     5 S   CT   _CB1    10     1.53066   107.40055  -162.51124
   11    10 S   HC   HB11    11     1.09837   109.33698   -49.57595
   12    10 S   HC   HB12    12     1.09811   110.46885    67.02141
   13    10 S   CT   _CG1    13     1.52998   112.62946  -170.53523
   14    13 S   HC   HG11    14     1.09578   110.67653   -66.64261
   15    13 S   HC   HG12    15     1.09671   109.75162    52.60144
   16    13 S   C    _CD1    16     1.51804   112.11477   173.04402
   17    16 S   O    _OE1    17     1.22740   123.25880     9.33355
   18    16 S   N    _N2_    18     1.38631   111.74773  -170.73991
   19    18 S   H    _HN2    19     1.01595   118.95409     1.12987
   20    18 S   CT1  _CA2    20     1.46203   123.40379   177.14782
   21    20 S   HC   _HA2    21     1.09740   109.37990     5.36549
   22    20 S   C    _C2_    22     1.53578   108.73168  -110.20588
   23    22 S   O    _O2_    23     1.23068   122.24558  -147.73396
   24    20 S   CT   _CB2    32     1.53362   111.44940   127.37943
   25    24 S   HC   HB21    33     1.09464   109.72909    57.04784
   26    24 S   HC   HB22    34     1.09461   109.84570   175.82252
   27    22 S   N    _N3_    24     1.38318   113.78484    39.73524
   28    27 S   H    _HN3    25     1.01567   119.62951    -3.24323
   29    24 S   S    _SG2    35     1.83083   111.11987   -64.97152
   30    27 S   CT   _CA3    26     1.45283   123.20857   177.15126
   31    30 S   HC   HA31    27     1.09549   107.51891   -64.36823
   32    30 S   HC   HA32    28     1.09557   107.97369    52.06608
   33    29 S   CT   _C21    36     1.86662   101.59057   163.89010
   34    30 S   CO3  _C3_    29     1.52960   114.08981   174.06575
   35    34 S   O2Z  _O31    30     1.26376   116.09187    -0.41684
   36    34 S   O2Z  _O32    31     1.26432   114.41093   179.62832
   37    33 S   CO4  _C20    37     1.52084   105.67716   177.03773
   38    37 S   O    _O38    38     1.22413   125.60149    47.74690
   39    33 S   CO4  _C22    70     1.52831   107.13213    56.90100
   40    39 S   O    _O36    71     1.23336   121.47137   -89.32913
   41    33 S   C    _C23    74     1.53925   109.13232   -66.64326
   42    41 S   O    _O37    75     1.22957   124.39823   -16.70070
   43    37 S   CO4  _C19    39     1.50535   117.12753  -137.27753
   44    43 S   O    _O39    40     1.22424   117.63900  -141.65873
   45    41 S   N    _N4_    76     1.37901   114.15445   166.78799
   46    45 S   H    _H13    77     1.01403   123.72272    -3.49458
   47    45 S   H    _H14    78     1.01473   119.80396   178.64289
   48    43 S   CT   _C17    41     1.51605   118.56675    39.86263
   49    48 S   HC   _H3_    42     1.10068   104.07011  -127.12077
   50    48 S   CT   _C18    43     1.53070   110.37681   118.12003
   51    50 S   HC   _H11    44     1.09708   110.49635   165.87847
   52    50 S   HC   _H12    45     1.09516   107.49636    48.84474
   53    50 S   CA   _C6_    46     1.51434   111.71613   -73.16872
   54    53 S   CA   _C7_    47     1.39447   118.71903   -38.46126
   55    54 S   CA   _C8_    48     1.40157   119.97361   179.24463
   56    54 S   CO4  _C15    67     1.48934   118.76380    -2.62823
   57    56 S   O    _O35    68     1.23006   119.71846  -153.94700
   58    55 S   CA   _C9_    49     1.42454   122.30973    -2.98675
   59    55 S   OH   _O34    65     1.37719   119.69397   179.14568
   60    59 S   HO   _H10    66     0.97221   110.31166    -8.63104
   61    48 S   CT   _C16    69     1.52167   114.95454    -9.25081
   62    58 S   CA   _C10    50     1.43091   118.86393     1.96104
   63    61 S   OH   _O40    72     1.43200   107.05169  -152.30198
   64    63 S   HO   _H15    73     0.97464   107.78793   175.28050
   65    53 S   CA   _C5_    51     1.42066   122.08250   144.05610
   66    62 S   CA   _C11    56     1.44286   116.08720  -174.87715
   67    66 S   Cl   Cl1_    57     1.74012   124.10552   169.62094
   68    65 S   CT   _C4_    52     1.51585   117.37158    10.14272
   69    68 S   HC   _H4_    53     1.09338   110.79635   -95.49152
   70    68 S   HC   _H5_    54     1.09473   112.08993    25.87852
   71    68 S   HC   _H6_    55     1.09362   110.95059   140.26211
   72    66 S   CA   _C12    58     1.40028   122.84359    -5.06848
   73    72 S   HA   _H7_    59     1.08778   121.06032  -179.57204
   74    72 S   CA   _C13    60     1.37706   120.11804     1.62775
   75    74 S   HA   _H8_    61     1.08596   119.50402  -179.97202
   76    58 S   CA   _C14    62     1.42854   122.37927  -178.01141
   77    76 S   OH   _O33    63     1.37575   120.40792    -2.01344
   78    77 S   HO   _H9_    64     0.97170   109.65639   179.44503
  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  14   5   6   3  10   4   2   1   1  12
   7  11   5   4  14  12  12   7   2  13   3   1   2  12   1   1
   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    39    40    63    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    63    64    41    42    45    43    48    49    50    54    56    57    61  
   63    41    48    56    61  
   42    45    46    47    43    61  
   45    46    47  
   44    48    49    50    51    52    53    56    61    63  
   48    49    50    61  
   46    47  
   47  
    0  
   49    50    51    52    53    54    65    56    57    61    63    64  
   50    51    52    53    56    61    63  
   51    52    53    54    55    62    65    68    56    61    63  
   52    53    54    65    61  
   53    54    65    61  
   54    55    58    62    65    68    69    70    71    66    59    56    57    61  
   55    58    62    65    68    76    59    60    56    57    61    63  
   58    62    65    66    74    76    77    59    60    56    57    61  
   57    61    63    64    58    59    65  
   61    63  
   62    65    68    66    67    72    74    75    76    77    78    59    60  
   60    62    76  
    0  
   63    64  
   65    68    69    70    71    66    67    72    73    74    76    77  
   64  
    0  
   68    69    70    71    66    67    72    76  
   67    72    73    74    75    76    68  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78  
   76    77  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   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    65   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    62   469.000  1.400
   58    76   469.000  1.400
   62    65   469.000  1.400
   62    66   469.000  1.400
   65    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   66    67   300.000  1.725
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   59    60   553.000  0.945
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    39   317.000  1.522
   61    63   320.000  1.410
   39    40   570.000  1.229
   63    64   553.000  0.945
   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    39    63.00000  111.10000
   48    61    63    50.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    54    70.00000  120.00000
   50    53    65    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    65    62    63.00000  120.00000
   53    65    68    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    62    63.00000  120.00000
   55    58    76    63.00000  120.00000
   55    59    60    35.00000  113.00000
   58    62    65    63.00000  120.00000
   58    62    66    63.00000  120.00000
   58    76    74    63.00000  120.00000
   58    76    77    70.00000  120.00000
   62    65    68    70.00000  120.00000
   62    66    67    75.00000  120.00000
   62    66    72    63.00000  120.00000
   65    53    54    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   66    62    65    63.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    74    63.00000  120.00000
   72    66    67    75.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    58    62    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   59    55    58    70.00000  120.00000
   56    54    55    60.00000  119.52600
   56    61    39    75.00000  107.99600
   56    61    63    90.00000  109.61100
   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
   61    63    64    55.00000  108.50000
   39    33    37    75.00000  107.99600
   63    61    39    90.00000  109.61100
   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    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
   43    48    61    63  -0.09450  1.0 1.0
   43    48    61    63  -1.12950 -1.0 2.0
   43    48    61    63   0.54000  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    65   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
   48    61    63    64  -0.11600  1.0 1.0
   48    61    63    64  -0.09450 -1.0 2.0
   48    61    63    64   0.21250  1.0 3.0
   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    39  -0.11250  1.0 3.0
   49    48    61    63   0.23400  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    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    48    61    63   0.86500  1.0 1.0
   50    48    61    63  -0.17500 -1.0 2.0
   50    48    61    63   0.20800  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    65    62   3.62500 -1.0 2.0
   50    53    65    68   3.62500 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    65   0.00000  1.0 1.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    65   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    65    68    69   0.00000  1.0 1.0
   53    65    68    70   0.00000  1.0 1.0
   53    65    68    71   0.00000  1.0 1.0
   54    53    65    62   3.62500 -1.0 2.0
   54    53    65    68   3.62500 -1.0 2.0
   54    55   -58    62   3.62500 -1.0 2.0
   54    55    58    76   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    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
   54    56    61    63   0.65300  1.0 1.0
   54    56    61    63  -0.03850 -1.0 2.0
   54    56    61    63   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    62    65   3.62500 -1.0 2.0
   55    58    62    66   3.62500 -1.0 2.0
   55    58    76    74   3.62500 -1.0 2.0
   55    58    76    77   3.62500 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   58    62   -65    53   3.62500 -1.0 2.0
   58    62    65    68   3.62500 -1.0 2.0
   58    62    66    67   3.62500 -1.0 2.0
   58    62    66    72   3.62500 -1.0 2.0
   58    76    77    78   0.84100 -1.0 2.0
   62    58    76    74   3.62500 -1.0 2.0
   62    58    76    77   3.62500 -1.0 2.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.00000  1.0 1.0
   62    65    68    71   0.00000  1.0 1.0
   62    66    72    73   3.62500 -1.0 2.0
   62    66   -72    74   3.62500 -1.0 2.0
   65    53   -54    55   3.62500 -1.0 2.0
   65    53    54    56   3.62500 -1.0 2.0
   65    62    66    67   3.62500 -1.0 2.0
   65    62    66    72   3.62500 -1.0 2.0
   66    62    65    53   3.62500 -1.0 2.0
   66    62    65    68   3.62500 -1.0 2.0
   66    72    74    75   3.62500 -1.0 2.0
   66    72    74    76   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    74   3.62500 -1.0 2.0
   72    74   -76    58   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    58   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    58    62    65   3.62500 -1.0 2.0
   76    58   -62    66   3.62500 -1.0 2.0
   59    55    58    62   3.62500 -1.0 2.0
   59    55    58    76   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
   56    61    63    64   0.91850  1.0 1.0
   56    61    63    64   0.57950  1.0 3.0
   57    56    61    48   0.30150 -1.0 2.0
   57    56    61    39   0.30150 -1.0 2.0
   57    56    61    63   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
   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
   39    61    63    64   0.91850  1.0 1.0
   39    61    63    64   0.57950  1.0 3.0
   63    61    39    33   0.55300  1.0 1.0
   63    61    39    33   1.25850 -1.0 2.0
   63    61    39    33  -0.23600  1.0 3.0
   63    61    39    40   0.30150 -1.0 2.0
   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    65    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
   62    76    58    55   4.00000 -1.0 2.0
   65    66    62    58   4.00000 -1.0 2.0
   62    68    65    53   4.00000 -1.0 2.0
   72    67    66    62   4.00000 -1.0 2.0
   74    73    72    66   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    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
