* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    159    229     461
    1     0 S   NP   _N1_     1    28.71376    95.33271   -20.30568
    2     1 S   H    _HN1     2     1.02785    81.89704   -78.67358
    3     1 S   H    _H1_     3     1.02958    89.89914    29.82576
    4     1 S   H    _H2_     4     1.02842    38.17441   148.32053
    5     1 S   CT   _CA1     5     1.50093   148.41584   161.48702
    6     5 S   HC   _HA1     6     1.09569   105.29524    50.58671
    7     5 S   CO3  _C1_     7     1.53815   112.30112   -69.78978
    8     7 S   O2Z  _O11     8     1.26367   115.04056   -46.43935
    9     7 S   O2Z  _O12     9     1.26227   114.93546   132.95813
   10     5 S   CT   _CB1    10     1.53114   107.46110   168.58297
   11    10 S   HC   HB11    11     1.09820   109.48995   -50.04580
   12    10 S   HC   HB12    12     1.09825   110.37196    66.53945
   13    10 S   CT   _CG1    13     1.53010   112.61704  -171.13357
   14    13 S   HC   HG11    14     1.09476   110.46233   -59.36569
   15    13 S   HC   HG12    15     1.09635   110.08459    59.69761
   16    13 S   C    _CD1    16     1.51784   112.19027   179.86878
   17    16 S   O    _OE1    17     1.22729   123.13054   -11.46676
   18    16 S   N    _N2_    18     1.38609   111.73992   169.41256
   19    18 S   H    _HN2    19     1.01584   119.07893     0.79525
   20    18 S   CT1  _CA2    20     1.46189   123.35579   179.45824
   21    20 S   HC   _HA2    21     1.09735   109.41465    -9.77578
   22    20 S   C    _C2_    22     1.53459   108.05470  -125.32055
   23    22 S   O    _O2_    23     1.23008   122.31951  -143.81905
   24    20 S   CT   _CB2    32     1.53395   111.71239   112.39306
   25    24 S   HC   HB21    33     1.09492   109.92426    55.77160
   26    24 S   HC   HB22    34     1.09524   109.93131   174.56545
   27    22 S   N    _N3_    24     1.38537   113.33459    43.34468
   28    27 S   H    _HN3    25     1.01517   118.93765    -0.41825
   29    24 S   S    _SG2    35     1.82814   111.90408   -65.70262
   30    27 S   CT   _CA3    26     1.45453   123.43528   175.18761
   31    30 S   HC   HA31    27     1.09523   109.23717    24.45972
   32    30 S   HC   HA32    28     1.09495   107.12112   141.46807
   33    29 S   CT   _C17    36     1.84491    99.51903  -176.21876
   34    33 S   HC   _H6_    37     1.09460   105.91461    40.68384
   35    30 S   CO3  _C3_    29     1.52930   113.11489   -99.01398
   36    35 S   O2Z  _O31    30     1.26401   115.40303   -44.26333
   37    35 S   O2Z  _O32    31     1.26354   114.97991   136.65934
   38    33 S   CM   _C13    38     1.53493   108.43583   157.94815
   39    38 S   CT   _C12    39     1.52254   114.04507    77.09345
   40    39 S   HC   _H18    40     1.09544   112.92482   176.40997
   41    39 S   HC   _H19    41     1.09673   108.73010   -67.68113
   42    38 S   CMA  _C14    77     1.36663   123.00326  -104.47689
   43    42 S   OM   _O34    78     1.26866   125.33338     1.04455
   44    39 S   CT   _C11    42     1.52843   111.92196    53.59632
   45    44 S   HC   _H5_    43     1.09614   109.75315  -178.05801
   46    42 S   OS   _O35    79     1.41849   111.67756  -177.56450
   47    44 S   CT   _C10    44     1.53722   112.63780   -54.32752
   48    47 S   HC   _H4_    45     1.09911   107.60361   169.22793
   49    44 S   NP   _N4_    73     1.49667   108.65340    67.16082
   50    49 S   H    _H25    74     1.03135   111.41006   -66.79027
   51    49 S   H    _H26    75     1.02820   111.59074   173.48166
   52    49 S   H    _H27    76     1.02866   111.63395    53.02731
   53    46 S   CT   _C15    80     1.43185   114.53892  -142.84819
   54    53 S   HC   _H20    81     1.09589   110.17016   -70.35732
   55    53 S   HC   _H21    82     1.09660   110.36668    51.10112
   56    33 S   CT   _C9_    46     1.55135   112.36751   -76.70320
   57    56 S   HC   _H3_    47     1.09525   109.78138    43.05627
   58    47 S   N    _N5_    65     1.46361   110.82114   -75.23197
   59    58 S   H    _H28    66     1.01589   118.27687    38.51406
   60    53 S   CT   _C16    83     1.51754   107.86288   170.43902
   61    60 S   HC   _H22    84     1.09509   110.58746   -59.16672
   62    60 S   HC   _H23    85     1.09505   110.61256    59.08118
   63    60 S   HC   _H24    86     1.09356   110.90313   179.96044
   64    56 S   OS   _O33    48     1.44364   109.04291   161.59230
   65    58 S   C    _C18    67     1.38361   122.62048  -148.03214
   66    65 S   O    _O36    68     1.22847   125.13995     2.22475
   67    64 S   CT   _C6_    49     1.43596   114.57693   -91.02831
   68    67 S   HC   _H12    50     1.09715   109.86860    38.58667
   69    65 S   CT   _C19    69     1.50483   113.15055  -179.05044
   70    69 S   HC   _H29    70     1.09352   109.15397   141.01208
   71    69 S   HC   _H30    71     1.09318   109.07188   -99.35677
   72    69 S   HC   _H31    72     1.09332   111.63915    21.19739
   73    67 S   CT   _C5_    51     1.54024   108.93727   -82.24985
   74    73 S   HC   _H10    52     1.09569   110.03134    53.34998
   75    73 S   HC   _H11    53     1.09731   109.70325   -61.82486
   76    67 S   CT   _C7_    58     1.53731   107.48156   157.08279
   77    76 S   HC   _H13    59     1.09689   109.79861    61.26473
   78    76 S   HC   _H14    60     1.09481   110.37180   179.71333
   79    73 S   CT   _C4_    54     1.52065   113.73168   174.90672
   80    79 S   HC   _H7_    55     1.09351   111.71595    66.69034
   81    79 S   HC   _H8_    56     1.09488   109.99070  -174.09698
   82    79 S   HC   _H9_    57     1.09450   110.99779   -54.66177
   83    76 S   CT   _C8_    61     1.52255   112.64594   -59.15568
   84    83 S   HC   _H15    62     1.09430   110.89961   -57.29956
   85    83 S   HC   _H16    63     1.09392   111.31172    63.85191
   86    83 S   HC   _H17    64     1.09468   110.10304  -176.82226
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  14  15   6   5   8   2  13   8   7  14   7
   5   2   1   1   6   5   4   9   3   8   3   3   2   1   1  10
   5   4  15   8   3   2   1   1  10   6   5   7   5   4   3   2
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    56    57    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    56    57    64    67    58    42    43    46  
   38    39    47    56    57    64    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    56    57    64    49    42    43    46    53  
   40    41    44    45    47    48    56    58    49    50    51    52    42    43    46  
   41    44    45    47    49    42  
   44    45    47    49    42  
   43    46    53    54    55    60    44    56  
   46    53  
   45    47    48    56    57    64    58    59    65    49    50    51    52  
   47    48    56    58    49    50    51    52  
   53    54    55    60    61    62    63  
   48    56    57    64    67    58    59    65    66    69    49    50    51    52  
   56    57    64    58    59    65    49  
   50    51    52    56    58  
   51    52  
   52  
    0  
   54    55    60    61    62    63  
   55    60    61    62    63  
   60    61    62    63  
   57    64    67    68    73    76    58    59    65  
   64    67    58  
   59    65    66    69    70    71    72    64  
   65    66    69  
   61    62    63  
   62    63  
   63  
    0  
   67    68    73    74    75    79    76    77    78    83  
   66    69    70    71    72  
   69    70    71    72  
   68    73    74    75    79    80    81    82    76    77    78    83    84    85    86  
   73    74    75    79    76    77    78    83  
   70    71    72  
   71    72  
   72  
    0  
   74    75    79    80    81    82    76    77    78    83  
   75    79    80    81    82    76  
   79    80    81    82    76  
   77    78    83    84    85    86    79  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   50   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    56   268.000  1.529
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   367.000  1.471
   47    48   340.000  1.090
   47    56   268.000  1.529
   47    58   337.000  1.449
   56    57   340.000  1.090
   56    64   320.000  1.410
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   434.000  1.010
   49    51   434.000  1.010
   49    52   434.000  1.010
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   39    44    45    37.50000  110.70000
   39    44    47    58.35000  112.70000
   39    44    49    80.00000  111.20000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    47    58    70.00000  110.72300
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   47    44    45    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    64    50.00000  109.50000
   47    58    59    38.00000  118.40000
   47    58    65    50.00000  121.90000
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    47    48    37.50000  110.70000
   56    64    67    60.00000  109.50000
   64    56    57    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    73    50.00000  109.50000
   64    67    76    50.00000  109.50000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    83    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    82    37.50000  110.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    73    58.35000  112.70000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    37.50000  110.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    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
   58    47    48    35.00000  109.50000
   58    47    56    70.00000  110.72300
   58    65    66    80.00000  122.90000
   58    65    69    70.00000  116.60000
   65    58    59    35.00000  119.80000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    47    80.00000  111.20000
   51    49    50    35.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   42    38    39    70.00000  124.00000
   42    46    53    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    64   0.56750  1.0 1.0
   29    33    56    64  -0.07550 -1.0 2.0
   29    33    56    64   0.20000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    56    64    67   0.06250  1.0 1.0
   33    56    64    67  -0.01100 -1.0 2.0
   33    56    64    67   0.28050  1.0 3.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    64   0.23400  1.0 3.0
   38    33    56    47   0.34400  1.0 1.0
   38    33    56    47   0.09450 -1.0 2.0
   38    33    56    47   0.11100  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    64   0.61850  1.0 1.0
   38    33    56    64  -0.22750 -1.0 2.0
   38    33    56    64   0.15300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    47   0.34400  1.0 1.0
   38    39   -44    47   0.09450 -1.0 2.0
   38    39   -44    47   0.11100  1.0 3.0
   38    39    44    49  -0.47300  1.0 1.0
   38    39    44    49   0.29700 -1.0 2.0
   38    39    44    49   0.83300  1.0 3.0
   38    42    46    53  -2.26850  1.0 1.0
   38    42    46    53   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    47    48   0.15000  1.0 3.0
   39    44    47    56   0.56750  1.0 1.0
   39    44    47    56  -0.07550 -1.0 2.0
   39    44    47    56   0.20000  1.0 3.0
   39    44    47    58  -0.27100  1.0 1.0
   39    44    47    58  -0.01700 -1.0 2.0
   39    44    47    58  -0.48600  1.0 3.0
   39    44    49    50   0.17350  1.0 3.0
   39    44    49    51   0.17350  1.0 3.0
   39    44    49    52   0.17350  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    44    49   0.19200  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    47   0.15000  1.0 3.0
   41    39    44    49   0.19200  1.0 3.0
   44    47   -56    33   0.56750  1.0 1.0
   44    47   -56    33  -0.07550 -1.0 2.0
   44    47   -56    33   0.20000  1.0 3.0
   44    47    56    57   0.15000  1.0 3.0
   44    47    56    64   0.62750  1.0 1.0
   44    47    56    64  -0.30950 -1.0 2.0
   44    47    56    64   0.27300  1.0 3.0
   44    47    58    59   0.00000  1.0 1.0
   44    47    58    65  -0.43950  1.0 1.0
   44    47    58    65  -0.08100 -1.0 2.0
   44    47    58    65   0.03350  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    56   0.15000  1.0 3.0
   45    44    47    58   0.15000  1.0 3.0
   45    44    49    50   0.13050  1.0 3.0
   45    44    49    51   0.13050  1.0 3.0
   45    44    49    52   0.13050  1.0 3.0
   47    44    49    50   0.17350  1.0 3.0
   47    44    49    51   0.17350  1.0 3.0
   47    44    49    52   0.17350  1.0 3.0
   47    56    64    67   0.06250  1.0 1.0
   47    56    64    67  -0.01100 -1.0 2.0
   47    56    64    67   0.28050  1.0 3.0
   47    58    65    66   3.04450 -1.0 2.0
   47    58    65    69   1.49850  1.0 1.0
   47    58    65    69   1.53950 -1.0 2.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    64   0.23400  1.0 3.0
   48    47    58    59   0.00000  1.0 1.0
   48    47    58    65   0.00000  1.0 1.0
   56    33   -38    39   0.46850  1.0 1.0
   56    33   -38    39   0.08550 -1.0 2.0
   56    33   -38    39   0.09800  1.0 3.0
   56    33    38    42   0.09850  1.0 1.0
   56    33    38    42   0.15250 -1.0 2.0
   56    33    38    42  -0.50650  1.0 3.0
   56    47    58    59   0.00000  1.0 1.0
   56    47    58    65  -0.43950  1.0 1.0
   56    47    58    65  -0.08100 -1.0 2.0
   56    47    58    65   0.03350  1.0 3.0
   56    64    67    68   0.37050  1.0 3.0
   56    64    67    73   0.06250  1.0 1.0
   56    64    67    73  -0.01100 -1.0 2.0
   56    64    67    73   0.28050  1.0 3.0
   56    64    67    76   0.06250  1.0 1.0
   56    64    67    76  -0.01100 -1.0 2.0
   56    64    67    76   0.28050  1.0 3.0
   57    56    64    67   0.37050  1.0 3.0
   64    67    73    74   0.23400  1.0 3.0
   64    67    73    75   0.23400  1.0 3.0
   64    67    73    79   0.62750  1.0 1.0
   64    67    73    79  -0.30950 -1.0 2.0
   64    67    73    79   0.27300  1.0 3.0
   64    67    76    77   0.23400  1.0 3.0
   64    67    76    78   0.23400  1.0 3.0
   64    67    76    83   0.62750  1.0 1.0
   64    67    76    83  -0.30950 -1.0 2.0
   64    67    76    83   0.27300  1.0 3.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    82   0.15000  1.0 3.0
   67    76    83    84   0.15000  1.0 3.0
   67    76    83    85   0.15000  1.0 3.0
   67    76    83    86   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   68    67    76    77   0.15000  1.0 3.0
   68    67    76    78   0.15000  1.0 3.0
   68    67    76    83   0.15000  1.0 3.0
   73    67    76    77   0.15000  1.0 3.0
   73    67    76    78   0.15000  1.0 3.0
   73    67    76    83   0.56750  1.0 1.0
   73    67    76    83  -0.07550 -1.0 2.0
   73    67    76    83   0.20000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    82   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    82   0.15000  1.0 3.0
   76    67    73    74   0.15000  1.0 3.0
   76    67    73    75   0.15000  1.0 3.0
   76    67    73    79   0.56750  1.0 1.0
   76    67    73    79  -0.07550 -1.0 2.0
   76    67    73    79   0.20000  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   58    47    56    33  -0.27100  1.0 1.0
   58    47    56    33  -0.01700 -1.0 2.0
   58    47    56    33  -0.48600  1.0 3.0
   58    47    56    57   0.15000  1.0 3.0
   58    47    56    64   1.12100  1.0 1.0
   58    47    56    64  -0.16500 -1.0 2.0
   58    65    69    70   0.00000  1.0 1.0
   58    65    69    71   0.00000  1.0 1.0
   58    65    69    72   0.00000  1.0 1.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    69   2.45000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   49    44    47    48   0.19200  1.0 3.0
   49    44    47    56   1.36600  1.0 1.0
   49    44    47    56  -0.11450 -1.0 2.0
   49    44    47    56   0.24250  1.0 3.0
   49    44    47    58   3.05550  1.0 1.0
   49    44    47    58   2.44300 -1.0 2.0
   49    44    47    58   0.51100  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    54   0.08050  1.0 3.0
   42    46    53    55   0.08050  1.0 3.0
   42    46    53    60  -0.46850  1.0 1.0
   42    46    53    60   0.09300 -1.0 2.0
   42    46    53    60  -0.12850  1.0 3.0
   43    42    46    53   2.00000 -1.0 2.0
   46    53    60    61   0.23400  1.0 3.0
   46    53    60    62   0.23400  1.0 3.0
   46    53    60    63   0.23400  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   59    65    58    47   1.00000 -1.0 2.0
   58    69    65    66  10.50000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
