* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    155    226     455
    1     0 S   NP   _N1_     1    28.55977    93.87406   -24.63110
    2     1 S   H    _HN1     2     1.02836    13.66729   156.63056
    3     1 S   H    _H1_     3     1.02777   108.78253  -114.84648
    4     1 S   H    _H2_     4     1.02958    94.19259    -3.86391
    5     1 S   CT   _CA1     5     1.50126   121.01538   113.00183
    6     5 S   HC   _HA1     6     1.09575   105.21913    69.23125
    7     5 S   CO3  _C1_     7     1.53787   112.35702   -50.96899
    8     7 S   O2Z  _O11     8     1.26365   114.99741   -44.16521
    9     7 S   O2Z  _O12     9     1.26235   114.92984   134.94252
   10     5 S   CT   _CB1    10     1.53098   107.42584  -172.85826
   11    10 S   HC   HB11    11     1.09827   109.34265   -50.50283
   12    10 S   HC   HB12    12     1.09816   110.42474    66.05535
   13    10 S   CT   _CG1    13     1.53020   112.66576  -171.57046
   14    13 S   HC   HG11    14     1.09593   110.49346   -64.21651
   15    13 S   HC   HG12    15     1.09656   109.91905    54.98631
   16    13 S   C    _CD1    16     1.51839   112.31227   175.36215
   17    16 S   O    _OE1    17     1.22746   123.29318     0.37534
   18    16 S   N    _N2_    18     1.38577   111.72597  -179.72446
   19    18 S   H    _HN2    19     1.01582   118.95829     4.93308
   20    18 S   CT1  _CA2    20     1.45850   122.87533   177.58589
   21    20 S   HC   _HA2    21     1.09707   109.01147    21.69817
   22    20 S   C    _C2_    22     1.52719   106.48389   -95.63071
   23    22 S   O    _O2_    23     1.22993   122.74114   -36.22164
   24    20 S   CT   _CB2    32     1.52921   112.11210   144.87399
   25    24 S   HC   HB21    33     1.09611   110.83978    51.50413
   26    24 S   HC   HB22    34     1.09411   110.61414   170.42082
   27    22 S   N    _N3_    24     1.38426   112.75746   146.04818
   28    27 S   H    _HN3    25     1.01639   120.48443    -0.74336
   29    24 S   S    _SG2    35     1.82116   110.92498   -69.12711
   30    27 S   CT   _CA3    26     1.45375   122.43308   179.85329
   31    30 S   HC   HA31    27     1.09557   107.44563   -65.74211
   32    30 S   HC   HA32    28     1.09569   108.00290    50.60534
   33    29 S   OS   _O35    36     1.66849    98.65512   176.86325
   34    30 S   CO3  _C3_    29     1.52914   114.34408   172.67319
   35    34 S   O2Z  _O31    30     1.26335   116.07737     1.18498
   36    34 S   O2Z  _O32    31     1.26431   114.41096  -178.89962
   37    33 S   CT   _C14    37     1.43530   115.42738    99.45860
   38    37 S   HC   _H3_    38     1.09446   109.75477   -38.04517
   39    37 S   CM   _C13    39     1.50756   109.12273    83.87384
   40    39 S   HC   _H20    40     1.08853   116.29297    40.10680
   41    37 S   CT   _C15    66     1.53574   107.94339  -155.79688
   42    41 S   HC   _H21    67     1.09767   110.05762   -53.06029
   43    41 S   HC   _H22    68     1.09726   109.93114  -171.43136
   44    39 S   CM   _C12    41     1.34324   125.93620  -137.64970
   45    44 S   HC   _H19    42     1.08856   117.60170   177.52614
   46    41 S   CT   _C16    69     1.53359   111.27329    67.59324
   47    46 S   HC   _H23    70     1.09645   110.00810   -60.71054
   48    46 S   HC   _H24    71     1.09653   109.28168    56.63045
   49    44 S   CT   _C11    43     1.50375   126.52019    -5.31950
   50    49 S   HC   _H17    44     1.09427   109.09401   -39.61569
   51    49 S   HC   _H18    45     1.09693   107.97125  -154.29962
   52    46 S   CT   _C17    72     1.52882   111.58174   177.64150
   53    52 S   HC   _H25    73     1.09676   109.62953   -56.51105
   54    52 S   HC   _H26    74     1.09663   109.60266    60.92768
   55    49 S   CM   _C10    46     1.50173   112.71058    85.95845
   56    55 S   HC   _H16    47     1.08925   116.09636    44.42458
   57    52 S   CT   _C18    75     1.52999   111.05654  -177.60167
   58    57 S   HC   _H27    76     1.09608   109.26765    58.37818
   59    57 S   HC   _H28    77     1.09686   109.55535   -58.59443
   60    55 S   CM   _C9_    48     1.34369   126.86204  -136.00020
   61    60 S   HC   _H15    49     1.08905   117.33132   179.51342
   62    57 S   CT   _C19    78     1.53087   111.32516  -179.85735
   63    62 S   HC   _H29    79     1.09700   109.00494    59.88119
   64    62 S   HC   _H30    80     1.09643   109.88557   -56.72256
   65    60 S   CT   _C8_    50     1.50314   127.33027    -2.32406
   66    65 S   HC   _H13    51     1.09704   108.24562  -127.66885
   67    65 S   HC   _H14    52     1.09422   111.48759   -11.58113
   68    62 S   CT   _C20    81     1.52601   112.17557  -179.84934
   69    68 S   HC   _H31    82     1.09725   108.58063  -170.70551
   70    68 S   HC   _H32    83     1.09707   109.50096   -54.45574
   71    65 S   CT   _C7_    53     1.52922   111.64653   111.79467
   72    71 S   HC   _H11    54     1.09670   109.81209    63.73933
   73    71 S   HC   _H12    55     1.09409   109.80375   -53.50995
   74    68 S   CO3  _C21    84     1.53241   116.04748    69.64227
   75    74 S   O2Z  _O34    85     1.26182   116.27781    26.52483
   76    74 S   O2Z  _O33    86     1.26452   114.33270  -154.24759
   77    71 S   CT   _C6_    56     1.52979   111.41054  -174.39863
   78    77 S   HC   _H9_    57     1.09666   109.64384   -60.69787
   79    77 S   HC   _H10    58     1.09701   109.47984    56.61857
   80    77 S   CT   _C5_    59     1.52831   111.36560   177.64125
   81    80 S   HC   _H7_    60     1.09464   109.76465    60.79341
   82    80 S   HC   _H8_    61     1.09618   110.00068   -56.96878
   83    80 S   CT   _C4_    62     1.52000   111.52815  -178.17158
   84    83 S   HC   _H4_    63     1.09440   110.97150    59.71817
   85    83 S   HC   _H5_    64     1.09448   110.28312   179.46295
   86    83 S   HC   _H6_    65     1.09462   110.98453   -60.74850
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  13   7  11   4  10   5   4   7   4   9   5   4
   7   4   3   9   5   4   7   3   9   5   4   8   4   8   5   4
   9   5   4   5   4   3   9   5   4   2   1   1   9   5   4   6
   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    44    41    42    43    46  
   35    36  
   36  
    0  
   38    39    40    44    45    49    41    42    43    46    47    48    52  
   39    40    44    41    42    43    46  
   40    44    45    49    50    51    55    41    42    43    46  
   44    45    49    41  
   42    43    46    47    48    52    53    54    57    44  
   43    46    47    48    52  
   46    47    48    52  
   45    49    50    51    55    56    60  
   49    50    51    55  
   47    48    52    53    54    57    58    59    62  
   48    52    53    54    57  
   52    53    54    57  
   50    51    55    56    60    61    65  
   51    55    56    60  
   55    56    60  
   53    54    57    58    59    62    63    64    68  
   54    57    58    59    62  
   57    58    59    62  
   56    60    61    65    66    67    71  
   60    61    65  
   58    59    62    63    64    68    69    70    74  
   59    62    63    64    68  
   62    63    64    68  
   61    65    66    67    71    72    73    77  
   65    66    67    71  
   63    64    68    69    70    74    75    76  
   64    68    69    70    74  
   68    69    70    74  
   66    67    71    72    73    77    78    79    80  
   67    71    72    73    77  
   71    72    73    77  
   69    70    74    75    76  
   70    74    75    76  
   74    75    76  
   72    73    77    78    79    80    81    82    83  
   73    77    78    79    80  
   77    78    79    80  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86  
   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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   268.000  1.529
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    49   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.510
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   340.000  1.080
   60    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   317.000  1.522
   74    75   656.000  1.250
   74    76   656.000  1.250
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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    50.00000  109.50000
   37    39    40    35.00000  117.00000
   37    39    44    70.00000  124.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    46    58.35000  112.70000
   39    37    38    35.00000  109.50000
   39    44    45    35.00000  120.00000
   39    44    49    70.00000  124.00000
   44    39    40    35.00000  120.00000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    55    70.00000  110.12100
   49    44    45    35.00000  117.00000
   49    55    56    35.00000  117.00000
   49    55    60    70.00000  124.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    60    61    35.00000  120.00000
   55    60    65    70.00000  124.00000
   60    55    56    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    71    70.00000  112.02700
   65    60    61    35.00000  117.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    77    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    70.00000  112.02700
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    52    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    74    70.00000  109.69300
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    74    75    70.00000  117.00000
   68    74    76    70.00000  117.00000
   70    68    69    33.00000  107.80000
   74    68    69    35.00000  109.50000
   74    68    70    35.00000  109.50000
   76    74    75    80.00000  126.00000
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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    44   0.39000  1.0 1.0
   33    37    39    44  -0.05800 -1.0 2.0
   33    37    39    44  -0.55150  1.0 3.0
   33    37    41    42   0.23400  1.0 3.0
   33    37    41    43   0.23400  1.0 3.0
   33    37    41    46   0.62750  1.0 1.0
   33    37    41    46  -0.30950 -1.0 2.0
   33    37    41    46   0.27300  1.0 3.0
   37    39    44    45   7.00000 -1.0 2.0
   37    39    44    49   7.00000 -1.0 2.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    48   0.15000  1.0 3.0
   37    41    46    52   0.56750  1.0 1.0
   37    41    46    52  -0.07550 -1.0 2.0
   37    41    46    52   0.20000  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    44   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    43   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    43   0.15000  1.0 3.0
   39    37    41    46   0.34400  1.0 1.0
   39    37    41    46   0.09450 -1.0 2.0
   39    37    41    46   0.11100  1.0 3.0
   39    44    49    50   0.00000  1.0 1.0
   39    44    49    51   0.00000  1.0 1.0
   39    44    49    55  -0.28300  1.0 1.0
   39    44    49    55   0.26700 -1.0 2.0
   39    44    49    55  -0.63300  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   44    49    55    56   0.00000  1.0 1.0
   44    49    55    60  -0.28300  1.0 1.0
   44    49    55    60   0.26700 -1.0 2.0
   44    49    55    60  -0.63300  1.0 3.0
   45    44    49    50   0.33100  1.0 3.0
   45    44    49    51   0.33100  1.0 3.0
   45    44    49    55   0.00000  1.0 1.0
   49    55    60    61   7.00000 -1.0 2.0
   49    55    60    65   7.00000 -1.0 2.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    60   0.00000  1.0 1.0
   51    49    55    56   0.33100  1.0 3.0
   51    49    55    60   0.00000  1.0 1.0
   55    60    65    66   0.00000  1.0 1.0
   55    60    65    67   0.00000  1.0 1.0
   55    60    65    71   0.09850  1.0 1.0
   55    60    65    71   0.15250 -1.0 2.0
   55    60    65    71  -0.50650  1.0 3.0
   56    55    60    61   7.00000 -1.0 2.0
   56    55    60    65   7.00000 -1.0 2.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    77   0.34400  1.0 1.0
   60    65    71    77   0.09450 -1.0 2.0
   60    65    71    77   0.11100  1.0 3.0
   61    60    65    66   0.33100  1.0 3.0
   61    60    65    67   0.33100  1.0 3.0
   61    60    65    71   0.00000  1.0 1.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    80   0.56750  1.0 1.0
   65    71    77    80  -0.07550 -1.0 2.0
   65    71    77    80   0.20000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    77   0.15000  1.0 3.0
   71    77    80    81   0.15000  1.0 3.0
   71    77    80    82   0.15000  1.0 3.0
   71    77    80    83   0.56750  1.0 1.0
   71    77    80    83  -0.07550 -1.0 2.0
   71    77    80    83   0.20000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.15000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    44   0.09850  1.0 1.0
   41    37    39    44   0.15250 -1.0 2.0
   41    37    39    44  -0.50650  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    54   0.15000  1.0 3.0
   41    46    52    57   0.56750  1.0 1.0
   41    46    52    57  -0.07550 -1.0 2.0
   41    46    52    57   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    52   0.15000  1.0 3.0
   46    52    57    58   0.15000  1.0 3.0
   46    52    57    59   0.15000  1.0 3.0
   46    52    57    62   0.56750  1.0 1.0
   46    52    57    62  -0.07550 -1.0 2.0
   46    52    57    62   0.20000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    57   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    54   0.15000  1.0 3.0
   48    46    52    57   0.15000  1.0 3.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    68   0.56750  1.0 1.0
   52    57    62    68  -0.07550 -1.0 2.0
   52    57    62    68   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    62   0.15000  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    70   0.15000  1.0 3.0
   57    62    68    74  -1.63150  1.0 1.0
   57    62    68    74  -0.43550 -1.0 2.0
   57    62    68    74   0.24500  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    68   0.15000  1.0 3.0
   62    68    74    75   0.41150 -1.0 2.0
   62    68    74    76   0.41150 -1.0 2.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    74  -0.11250  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    74  -0.11250  1.0 3.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.00000  1.0 1.0
   70    68    74    75   0.00000  1.0 1.0
   70    68    74    76   0.00000  1.0 1.0
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    40    39    44  15.00000 -1.0 2.0
   49    45    44    39  15.00000 -1.0 2.0
   49    56    55    60  15.00000 -1.0 2.0
   65    61    60    55  15.00000 -1.0 2.0
   75    68    74    76  10.50000 -1.0 2.0
END
