* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    156    221     450
    1     0 S   NP   _N1_     1    28.86274    96.20910   -20.34744
    2     1 S   H    _HN1     2     1.02781    83.69730   -75.98759
    3     1 S   H    _H1_     3     1.02954    82.14689    33.58786
    4     1 S   H    _H2_     4     1.02831    42.99325   159.14792
    5     1 S   CT   _CA1     5     1.50119   153.65910   154.57547
    6     5 S   HC   _HA1     6     1.09568   105.21902    62.48799
    7     5 S   CO3  _C1_     7     1.53827   112.46548   -57.75682
    8     7 S   O2Z  _O11     8     1.26367   115.00935   -40.82435
    9     7 S   O2Z  _O12     9     1.26234   114.99690   138.40213
   10     5 S   CT   _CB1    10     1.53104   107.42768  -179.46478
   11    10 S   HC   HB11    11     1.09819   109.48548   -49.06896
   12    10 S   HC   HB12    12     1.09824   110.36915    67.59840
   13    10 S   CT   _CG1    13     1.52949   112.57557  -170.10548
   14    13 S   HC   HG11    14     1.09492   110.32997   -62.78755
   15    13 S   HC   HG12    15     1.09648   110.02655    56.37998
   16    13 S   C    _CD1    16     1.51764   112.42610   176.86094
   17    16 S   O    _OE1    17     1.22716   123.30346    -2.63225
   18    16 S   N    _N2_    18     1.38615   111.57115   177.40686
   19    18 S   H    _HN2    19     1.01607   118.98730     1.56561
   20    18 S   CT1  _CA2    20     1.46299   123.47173  -179.40422
   21    20 S   HC   _HA2    21     1.09732   109.40328    -9.71072
   22    20 S   C    _C2_    22     1.53359   108.46911  -125.34886
   23    22 S   O    _O2_    23     1.23027   122.36949  -148.39289
   24    20 S   CT   _CB2    32     1.53435   111.12239   112.39899
   25    24 S   HC   HB21    33     1.09273   109.08121    56.12296
   26    24 S   HC   HB22    34     1.09499   110.69820   174.40539
   27    22 S   N    _N3_    24     1.38365   113.46499    39.15629
   28    27 S   H    _HN3    25     1.01643   119.48641    -3.67354
   29    24 S   S    _SG2    35     1.83024   110.83683   -66.63699
   30    27 S   CT   _CA3    26     1.45284   123.12268   176.95226
   31    30 S   HC   HA31    27     1.09552   107.53883   -63.45368
   32    30 S   HC   HA32    28     1.09558   107.92997    52.94815
   33    29 S   CT   _C13    36     1.87339   102.55531   147.63739
   34    30 S   CO3  _C3_    29     1.52932   114.14173   174.91824
   35    34 S   O2Z  _O31    30     1.26365   116.06110    -0.87514
   36    34 S   O2Z  _O32    31     1.26431   114.41132   179.17599
   37    33 S   CO4  _C11    37     1.53619   106.73107   -62.20280
   38    37 S   O    _O23    38     1.23258   121.91360   102.98324
   39    33 S   CT   _C21    57     1.55611   108.41875    57.27982
   40    39 S   HC   _H44    58     1.09799   110.30553    49.14341
   41    39 S   HC   _H45    59     1.09736   109.99701   -67.33327
   42    37 S   CM   _C9_    39     1.50322   119.05778   -74.88309
   43    39 S   CT   _C24    60     1.53825   114.55556   171.10040
   44    43 S   HC   _H50    61     1.09466   109.78432    45.71647
   45    43 S   HC   _H51    62     1.09548   109.86035   -71.93889
   46    42 S   CM   _C8_    40     1.34602   120.63403   -15.45942
   47    42 S   CT   _C15    53     1.50482   113.96608   163.10138
   48    47 S   HC   _H30    54     1.09600   110.40459   -45.99457
   49    47 S   HC   _H31    55     1.09142   113.55376  -164.89983
   50    47 S   HC   _H32    56     1.09439   110.32057    73.69504
   51    43 S   CT   _C23    63     1.53466   111.44555   167.17266
   52    51 S   HC   _H48    64     1.09696   109.29236    52.25338
   53    51 S   HC   _H49    65     1.09748   109.24838   -64.44573
   54    46 S   CO4  _C10    41     1.50114   120.43691    -2.56826
   55    54 S   O    _O22    42     1.23147   119.69807   172.62376
   56    46 S   CT   _C14    49     1.50427   125.35112   179.18028
   57    56 S   HC   _H27    50     1.09589   110.50247   131.99191
   58    56 S   HC   _H28    51     1.09173   113.59478    13.11018
   59    56 S   HC   _H29    52     1.09481   110.05353  -108.31637
   60    51 S   CT   _C18    66     1.53131   113.07723   173.06254
   61    60 S   HC   _H38    67     1.09611   108.92101  -177.32687
   62    60 S   HC   _H39    68     1.09622   109.63265   -60.77160
   63    33 S   CT   _C12    43     1.54748   109.84434  -178.67411
   64    63 S   HC   _H26    44     1.09927   108.97864   177.27732
   65    60 S   CZ   _C5_    69     1.46870   112.25238    61.40778
   66    63 S   CT   _C16    45     1.53552   114.76693   -63.00273
   67    66 S   HC   _H33    46     1.09474   112.13792    67.97212
   68    66 S   HC   _H34    47     1.09302   112.13358   -54.15630
   69    66 S   HC   _H35    48     1.09640   110.26529  -173.18229
   70    65 S   CZ   _C4_    70     1.20085   176.84750   -53.35823
   71    70 S   CT   _C17    71     1.46810   176.75641    -0.87782
   72    71 S   HC   _H36    72     1.09647   109.27714  -156.57180
   73    71 S   HC   _H37    73     1.09598   109.61753   -40.42729
   74    71 S   CT   _C22    74     1.53253   112.68569    82.50450
   75    74 S   HC   _H46    75     1.09783   109.03509    65.28174
   76    74 S   HC   _H47    76     1.09773   108.20581  -179.30846
   77    74 S   CT   _C19    77     1.53240   115.48540   -56.59205
   78    77 S   HC   _H40    78     1.09539   110.15678    64.72046
   79    77 S   HC   _H41    79     1.09669   108.53116  -179.49332
   80    77 S   CZ   _C6_    80     1.46859   112.97247   -58.48947
   81    80 S   CZ   _C7_    81     1.20103   178.38263   138.61690
   82    81 S   CT   _C20    82     1.46198   179.23077    10.85320
   83    82 S   HC   _H42    83     1.09406   110.80474  -168.98780
   84    82 S   HC   _H43    84     1.09426   110.68105    70.34506
   85    82 S   OH   _O24    85     1.42059   109.59658   -49.28090
   86    85 S   HO   _H52    86     0.97232   107.03275   178.24142
  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  12   5   4   3
  20   2   1   1  16   5  14   6   5  12  10   5   4  13   5   2
   1   1   7   5   4  11   4   4   2   1   1   5   3   2   5   4
   5   3   2   1   1   7   9   5   4   7   5   4   5   3   2   5
   5   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    63    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    54    63    64    66    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    54    55    63    64    66    67    68    69    47    39    40    41    43    44    45    51  
   35    36  
   36  
    0  
   38    42    46    54    63    64    66    56    47    48    49    50    39    40    41    43  
   42    46    63    47    39  
   40    41    43    44    45    51    52    53    60    42    54    63    64    66  
   41    43    44    45    51    63  
   43    44    45    51    63  
   46    54    55    63    56    57    58    59    47    48    49    50  
   44    45    51    52    53    60    61    62    65    63  
   45    51    52    53    60  
   51    52    53    60  
   54    55    63    64    66    56    57    58    59    47    48    49    50  
   48    49    50    54    56  
   49    50  
   50  
    0  
   52    53    60    61    62    65    70  
   53    60    61    62    65  
   60    61    62    65  
   55    63    64    66    67    68    69    56    57    58    59  
   63    64    66    56  
   57    58    59    63  
   58    59  
   59  
    0  
   61    62    65    70    71  
   62    65    70  
   65    70  
   64    66    67    68    69  
   66    67    68    69  
   70    71    72    73    74  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82  
   79    80    81  
   80    81  
   81    82    83    84    85  
   82    83    84    85    86  
   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  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   66   3.5000   0.0660  -0.180000   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   81   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   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    63   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    46   549.000  1.340
   42    47   317.000  1.510
   46    54   320.000  1.462
   46    56   317.000  1.510
   54    55   570.000  1.229
   54    63   317.000  1.522
   63    64   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   390.000  1.470
   65    70   985.000  1.221
   70    71   390.000  1.470
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   390.000  1.470
   80    81   985.000  1.221
   81    82   390.000  1.470
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   320.000  1.410
   85    86   553.000  0.945
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    63    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    63    54    63.00000  111.10000
   33    63    64    37.50000  110.70000
   33    63    66    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    58.35000  112.70000
   37    42    46    65.00000  118.96000
   37    42    47    65.00000  116.34900
   42    37    38    80.00000  123.72100
   42    46    54    65.00000  118.96000
   42    46    56    70.00000  124.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   46    54    55    80.00000  123.72100
   46    54    63    65.00000  118.62400
   46    56    57    35.00000  109.50000
   46    56    58    35.00000  109.50000
   46    56    59    35.00000  109.50000
   54    63    64    35.00000  109.50000
   54    63    66    63.00000  111.10000
   63    33    37    63.00000  111.10000
   63    54    55    80.00000  120.40000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   66    63    64    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   56    46    54    65.00000  116.34900
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   47    42    46    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    63    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    51    58.35000  112.70000
   41    39    40    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    60    58.35000  112.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    65    58.35000  112.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   60    65    70    30.00000  179.48800
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  108.50000
   65    60    62    35.00000  108.50000
   65    70    71    30.00000  179.48800
   70    71    72    35.00000  108.50000
   70    71    73    35.00000  108.50000
   70    71    74    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    30.00000  179.48800
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  108.50000
   80    77    79    35.00000  108.50000
   80    81    82    30.00000  179.48800
   81    82    83    35.00000  108.50000
   81    82    84    35.00000  108.50000
   81    82    85    90.00000  111.78800
   82    85    86    55.00000  108.50000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
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    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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
   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    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    63    54   0.56750  1.0 1.0
   29    33    63    54  -0.07550 -1.0 2.0
   29    33    63    54   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    66   0.44750  1.0 1.0
   29    33    63    66  -0.17800 -1.0 2.0
   29    33    63    66   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    37    42    46  -0.33500  1.0 1.0
   33    37    42    46   1.06600 -1.0 2.0
   33    37    42    46  -0.14000  1.0 3.0
   33    37    42    47   0.25700  1.0 1.0
   33    37    42    47   0.66200 -1.0 2.0
   33    37    42    47   0.04450  1.0 3.0
   33    63    66    67   0.15000  1.0 3.0
   33    63    66    68   0.15000  1.0 3.0
   33    63    66    69   0.15000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    51   0.56750  1.0 1.0
   33    39    43    51  -0.07550 -1.0 2.0
   33    39    43    51   0.20000  1.0 3.0
   37    33    63    54   0.11950  1.0 1.0
   37    33    63    54   0.20300 -1.0 2.0
   37    33    63    54  -0.70800  1.0 3.0
   37    33    63    64  -0.11250  1.0 3.0
   37    33    63    66  -0.95700  1.0 1.0
   37    33    63    66  -0.18200 -1.0 2.0
   37    33    63    66   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    42   -46    54   7.00000 -1.0 2.0
   37    42    46    56   7.00000 -1.0 2.0
   37    42    47    48   0.15000  1.0 3.0
   37    42    47    49   0.15000  1.0 3.0
   37    42    47    50   0.15000  1.0 3.0
   38    37    42    46   1.00000 -1.0 2.0
   38    37    42    47  -0.64400  1.0 1.0
   38    37    42    47   0.26850 -1.0 2.0
   42    46    54    55   1.00000 -1.0 2.0
   42    46    54    63  -0.33500  1.0 1.0
   42    46    54    63   1.06600 -1.0 2.0
   42    46    54    63  -0.14000  1.0 3.0
   42    46    56    57   0.00000  1.0 1.0
   42    46    56    58   0.00000  1.0 1.0
   42    46    56    59   0.00000  1.0 1.0
   46    42    47    48   0.00000  1.0 1.0
   46    42    47    49   0.00000  1.0 1.0
   46    42    47    50   0.00000  1.0 1.0
   46    54   -63    33   0.65300  1.0 1.0
   46    54   -63    33  -0.03850 -1.0 2.0
   46    54   -63    33   0.33900  1.0 3.0
   46    54    63    64   0.00000  1.0 1.0
   46    54    63    66   0.65300  1.0 1.0
   46    54    63    66  -0.03850 -1.0 2.0
   46    54    63    66   0.33900  1.0 3.0
   54    46    56    57   0.15000  1.0 3.0
   54    46    56    58   0.15000  1.0 3.0
   54    46    56    59   0.15000  1.0 3.0
   54    63    66    67  -0.11250  1.0 3.0
   54    63    66    68  -0.11250  1.0 3.0
   54    63    66    69  -0.11250  1.0 3.0
   55    54    63    33   0.30150 -1.0 2.0
   55    54    63    64   0.00000  1.0 1.0
   55    54    63    66   0.30150 -1.0 2.0
   63    33    37    38   0.30150 -1.0 2.0
   63    33   -37    42   0.65300  1.0 1.0
   63    33   -37    42  -0.03850 -1.0 2.0
   63    33   -37    42   0.33900  1.0 3.0
   63    33    39    40   0.15000  1.0 3.0
   63    33    39    41   0.15000  1.0 3.0
   63    33    39    43   0.56750  1.0 1.0
   63    33    39    43  -0.07550 -1.0 2.0
   63    33    39    43   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   56    46    54    55  -0.64400  1.0 1.0
   56    46    54    55   0.26850 -1.0 2.0
   56    46    54    63   0.25700  1.0 1.0
   56    46    54    63   0.66200 -1.0 2.0
   56    46    54    63   0.04450  1.0 3.0
   47    42    46    54   7.00000 -1.0 2.0
   47    42    46    56   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    63    54  -0.95700  1.0 1.0
   39    33    63    54  -0.18200 -1.0 2.0
   39    33    63    54   0.29450  1.0 3.0
   39    33    63    64   0.15000  1.0 3.0
   39    33    63    66   0.56750  1.0 1.0
   39    33    63    66  -0.07550 -1.0 2.0
   39    33    63    66   0.20000  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43    51    60   0.56750  1.0 1.0
   39    43    51    60  -0.07550 -1.0 2.0
   39    43    51    60   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    51   0.15000  1.0 3.0
   43    51    60    61   0.15000  1.0 3.0
   43    51    60    62   0.15000  1.0 3.0
   43    51    60    65  -0.74000  1.0 1.0
   43    51    60    65   0.24050 -1.0 2.0
   43    51    60    65   0.24650  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    60   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    60   0.15000  1.0 3.0
   51    60    65    70   0.00000  1.0 1.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    65   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    65   0.15000  1.0 3.0
   60    65    70    71   0.00000  1.0 1.0
   61    60    65    70   0.00000  1.0 1.0
   62    60    65    70   0.00000  1.0 1.0
   65    70    71    72   0.00000  1.0 1.0
   65    70    71    73   0.00000  1.0 1.0
   65    70    71    74   0.00000  1.0 1.0
   70    71    74    75   0.15000  1.0 3.0
   70    71    74    76   0.15000  1.0 3.0
   70    71    74    77  -0.74000  1.0 1.0
   70    71    74    77   0.24050 -1.0 2.0
   70    71    74    77   0.24650  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80  -0.74000  1.0 1.0
   71    74    77    80   0.24050 -1.0 2.0
   71    74    77    80   0.24650  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81   0.00000  1.0 1.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    81    82   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   80    81    82    83   0.00000  1.0 1.0
   80    81    82    84   0.00000  1.0 1.0
   80    81    82    85   0.00000  1.0 1.0
   81    82    85    86   0.35600  1.0 1.0
   81    82    85    86  -0.10750 -1.0 2.0
   81    82    85    86  -0.54400  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    47    42    46   1.10000 -1.0 2.0
   54    56    46    42   1.10000 -1.0 2.0
   46    63    54    55  10.50000 -1.0 2.0
END
