* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    157    239     463
    1     0 S   NP   _N1_     1    30.06646    93.24044   -17.09973
    2     1 S   H    _HN1     2     1.02723    31.91989    99.51334
    3     1 S   H    _H1_     3     1.03355    86.39017   -33.03714
    4     1 S   H    _H2_     4     1.02954   138.04115    78.55507
    5     1 S   CT   _CA1     5     1.50007    99.56678  -145.00223
    6     5 S   HC   _HA1     6     1.09563   105.35920    28.86965
    7     5 S   CO3  _C1_     7     1.53805   112.43423   -91.63696
    8     7 S   O2Z  _O11     8     1.26369   115.20235   -49.60069
    9     7 S   O2Z  _O12     9     1.26277   114.89423   129.65983
   10     5 S   CT   _CB1    10     1.52899   107.27363   146.74677
   11    10 S   HC   HB11    11     1.09729   109.49010   -52.30691
   12    10 S   HC   HB12    12     1.09801   110.10748    63.85536
   13    10 S   CT   _CG1    13     1.52988   113.19980  -172.92615
   14    13 S   HC   HG11    14     1.09517   111.41235   -62.98777
   15    13 S   HC   HG12    15     1.09576   110.69091    56.60435
   16    13 S   C    _CD1    16     1.51421   109.73479   176.25153
   17    16 S   O    _OE1    17     1.22809   121.99892  -103.39445
   18    16 S   N    _N2_    18     1.38263   112.58498    74.87070
   19    18 S   H    _HN2    19     1.01548   119.09368     7.19162
   20    18 S   CT1  _CA2    20     1.45637   123.12029  -175.25014
   21    20 S   HC   _HA2    21     1.09718   108.72217    26.06809
   22    20 S   C    _C2_    22     1.52822   107.49966   -91.66638
   23    22 S   O    _O2_    23     1.22949   122.95180   -27.16182
   24    20 S   CT   _CB2    32     1.53239   111.85462   148.73428
   25    24 S   HC   HB21    33     1.09424   109.64807    60.77115
   26    24 S   HC   HB22    34     1.09532   110.38285   179.14981
   27    22 S   N    _N3_    24     1.38627   112.34724   156.00037
   28    27 S   H    _HN3    25     1.01489   119.72212     0.43431
   29    24 S   S    _SG2    35     1.82830   111.50415   -60.48734
   30    27 S   CT   _CA3    26     1.45429   122.73073   174.68647
   31    30 S   HC   HA31    27     1.09544   108.85157    32.26673
   32    30 S   HC   HA32    28     1.09475   107.19130   149.41552
   33    29 S   CT   _C11    36     1.84495    99.46787   170.97762
   34    33 S   HC   _H3_    37     1.09713   107.85065    38.94472
   35    30 S   CO3  _C3_    29     1.53094   113.71417   -90.59376
   36    35 S   O2Z  _O31    30     1.26370   115.91628   -28.29380
   37    35 S   O2Z  _O32    31     1.26426   114.61317   152.54792
   38    33 S   CM   _C10    38     1.51146   106.84406   -80.18693
   39    38 S   HC   _H18    39     1.08890   116.98264   -67.36515
   40    33 S   CT   _C12    58     1.54666   111.43774   158.41348
   41    40 S   HC   _H4_    59     1.09854   110.88061    71.50253
   42    38 S   CM   _C9_    40     1.34208   124.17266   112.55795
   43    42 S   HC   _H17    41     1.08721   119.61839     0.11191
   44    40 S   CO4  _C16    60     1.51872   110.70084  -169.59374
   45    44 S   O    _O33    61     1.22266   125.62024   -61.70897
   46    42 S   CT   _C8_    42     1.50133   123.55734  -179.84051
   47    46 S   HC   _H15    43     1.09677   107.86583  -125.38305
   48    46 S   HC   _H16    44     1.09690   111.05065    -9.19571
   49    44 S   CM   _C15    62     1.46576   112.36290   118.23740
   50    49 S   HC   _H20    63     1.07548   125.54988  -177.27926
   51    46 S   CT   _C7_    45     1.53199   112.94716   114.32238
   52    51 S   HC   _H13    46     1.09717   108.24363   171.29148
   53    51 S   HC   _H14    47     1.09731   109.88639    55.08566
   54    49 S   CM   _C14    64     1.33161   105.92151     2.63678
   55    54 S   HC   _H19    65     1.08276   122.31570  -179.52770
   56    51 S   CT   _C6_    48     1.53250   113.06504   -67.83955
   57    56 S   HC   _H11    49     1.09682   109.59684   -55.51707
   58    56 S   HC   _H12    50     1.09498   110.10095    62.08652
   59    40 S   CT   _C13    66     1.55446   114.93447   -54.99435
   60    59 S   HC   _H5_    67     1.09595   111.64785     0.90655
   61    56 S   CT   _C5_    51     1.52885   111.24116  -176.78277
   62    61 S   HC   _H9_    52     1.09618   109.80909    59.68976
   63    61 S   HC   _H10    53     1.09623   109.88695   -58.04669
   64    59 S   CT   _C17    68     1.54356   111.05272   124.08633
   65    64 S   HC   _H21    69     1.09748   110.28814    72.38174
   66    64 S   HC   _H22    70     1.09502   108.40145   -44.22114
   67    61 S   CT   _C4_    54     1.52024   111.55313  -179.18868
   68    67 S   HC   _H6_    55     1.09402   110.92873    61.71431
   69    67 S   HC   _H7_    56     1.09451   111.09564   -58.90004
   70    67 S   HC   _H8_    57     1.09444   110.25800  -178.73298
   71    64 S   CM   _C18    71     1.50572   112.73376  -166.22121
   72    71 S   HC   _H23    72     1.08806   116.52316   -47.57728
   73    71 S   CM   _C19    73     1.34273   126.36681   131.77335
   74    73 S   HC   _H24    74     1.08850   117.60433  -178.36183
   75    73 S   CT   _C20    75     1.50271   126.80827     3.44606
   76    75 S   HC   _H25    76     1.09460   110.75353    27.84116
   77    75 S   HC   _H26    77     1.09730   108.01163   142.91688
   78    75 S   CT   _C21    78     1.53024   111.65013   -96.45874
   79    78 S   HC   _H27    79     1.09654   110.13529    58.41615
   80    78 S   HC   _H28    80     1.09765   109.07974   -58.21803
   81    78 S   CT   _C22    81     1.52646   112.48147  -178.57660
   82    81 S   HC   _H29    82     1.09788   107.97900   167.72053
   83    81 S   HC   _H30    83     1.09704   109.59307    51.81775
   84    81 S   CO3  _C23    84     1.53088   117.56003   -72.42845
   85    84 S   O2Z  _O35    85     1.26049   117.04223    -6.44953
   86    84 S   O2Z  _O34    86     1.26660   114.26278   174.82460
  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
  15   7   2   1   1  11   4  14   7   8   4   8   4   9   5   4
   6   3   9   5   4   7   3   9   5   4   7   4   6   5   4   7
   4   3   3   2   1   1   7   3   8   4   9   5   4   8   5   4
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    54    59    60    64  
   38    39    42    40    41    44    59  
   36    37  
   37  
    0  
   39    42    43    46    47    48    51    40    41    44    59  
   42    43    46    40  
   41    44    45    49    50    54    55    59    60    64    65    66    71    42  
   44    45    49    54    59    60    64  
   43    46    47    48    51    52    53    56  
   46    47    48    51  
   45    49    50    54    55    59    60    64  
   49    50    54    59  
   47    48    51    52    53    56    57    58    61  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    59    60    64  
   54    55    59  
   52    53    56    57    58    61    62    63    67  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    66    71  
   59    60    64  
   57    58    61    62    63    67    68    69    70  
   58    61    62    63    67  
   61    62    63    67  
   60    64    65    66    71    72    73  
   64    65    66    71  
   62    63    67    68    69    70  
   63    67    68    69    70  
   67    68    69    70  
   65    66    71    72    73    74    75  
   66    71    72    73  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75    76    77    78    79    80    81  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84  
   81    82    83    84  
   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   0.107500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    59   268.000  1.529
   44    45   570.000  1.229
   44    49   320.000  1.462
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   340.000  1.080
   73    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.522
   84    85   656.000  1.250
   84    86   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    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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    59    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    51    70.00000  112.02700
   46    42    43    35.00000  117.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    70    37.50000  110.70000
   63    61    62    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    49    65.00000  118.62400
   40    59    54    70.00000  112.02700
   40    59    60    37.50000  110.70000
   40    59    64    58.35000  112.70000
   44    40    41    35.00000  109.50000
   44    49    50    40.00000  117.72500
   44    49    54    65.00000  118.96000
   49    44    45    80.00000  123.72100
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    64    70.00000  112.02700
   59    40    41    37.50000  110.70000
   59    40    44    63.00000  111.10000
   59    54    55    35.00000  117.00000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    71    70.00000  112.02700
   64    59    60    37.50000  110.70000
   64    71    72    35.00000  117.00000
   64    71    73    70.00000  124.00000
   66    64    65    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    66    35.00000  109.50000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    70.00000  112.02700
   75    73    74    35.00000  117.00000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    70.00000  109.69300
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    70.00000  117.00000
   81    84    86    70.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   86    84    85    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   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   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    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    59   0.44750  1.0 1.0
   29    33    40    59  -0.17800 -1.0 2.0
   29    33    40    59   0.20200  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    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   0.65300  1.0 1.0
   33    40    44    49  -0.03850 -1.0 2.0
   33    40    44    49   0.33900  1.0 3.0
   33    40    59    54   0.34400  1.0 1.0
   33    40    59    54   0.09450 -1.0 2.0
   33    40    59    54   0.11100  1.0 3.0
   33    40    59    60   0.15000  1.0 3.0
   33    40    59    64   0.56750  1.0 1.0
   33    40    59    64  -0.07550 -1.0 2.0
   33    40    59    64   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    59   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    59   0.34400  1.0 1.0
   38    33    40    59   0.09450 -1.0 2.0
   38    33    40    59   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    51   0.09850  1.0 1.0
   38    42    46    51   0.15250 -1.0 2.0
   38    42    46    51  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    53   0.15000  1.0 3.0
   42    46    51    56   0.34400  1.0 1.0
   42    46    51    56   0.09450 -1.0 2.0
   42    46    51    56   0.11100  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    51   0.00000  1.0 1.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    58   0.15000  1.0 3.0
   46    51    56    61   0.56750  1.0 1.0
   46    51    56    61  -0.07550 -1.0 2.0
   46    51    56    61   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    67   0.56750  1.0 1.0
   51    56    61    67  -0.07550 -1.0 2.0
   51    56    61    67   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    67    68   0.15000  1.0 3.0
   56    61    67    69   0.15000  1.0 3.0
   56    61    67    70   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    67   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    70   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   63    61    67    70   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   0.04550  1.0 1.0
   40    44    49    50   0.83000 -1.0 2.0
   40    44    49    50  -0.04000  1.0 3.0
   40    44   -49    54  -0.33500  1.0 1.0
   40    44   -49    54   1.06600 -1.0 2.0
   40    44   -49    54  -0.14000  1.0 3.0
   40    59    64    65   0.15000  1.0 3.0
   40    59    64    66   0.15000  1.0 3.0
   40    59    64    71   0.34400  1.0 1.0
   40    59    64    71   0.09450 -1.0 2.0
   40    59    64    71   0.11100  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   41    40    59    54   0.15000  1.0 3.0
   41    40    59    60   0.15000  1.0 3.0
   41    40    59    64   0.15000  1.0 3.0
   44    40   -59    54  -0.98800  1.0 1.0
   44    40   -59    54   0.48800 -1.0 2.0
   44    40   -59    54   0.76800  1.0 3.0
   44    40    59    60  -0.11250  1.0 3.0
   44    40    59    64  -0.95700  1.0 1.0
   44    40    59    64  -0.18200 -1.0 2.0
   44    40    59    64   0.29450  1.0 3.0
   44    49    54    55   7.00000 -1.0 2.0
   44    49   -54    59   7.00000 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54   1.00000 -1.0 2.0
   49    54   -59    40   0.09850  1.0 1.0
   49    54   -59    40   0.15250 -1.0 2.0
   49    54   -59    40  -0.50650  1.0 3.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    64   0.09850  1.0 1.0
   49    54    59    64   0.15250 -1.0 2.0
   49    54    59    64  -0.50650  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    59   7.00000 -1.0 2.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   54    59    64    71   0.31000  1.0 1.0
   54    59    64    71   0.14700 -1.0 2.0
   54    59    64    71   0.07550  1.0 3.0
   55    54    59    40   0.00000  1.0 1.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    64   0.00000  1.0 1.0
   59    40    44    45   0.30150 -1.0 2.0
   59    40   -44    49   0.65300  1.0 1.0
   59    40   -44    49  -0.03850 -1.0 2.0
   59    40   -44    49   0.33900  1.0 3.0
   59    64    71    72   0.00000  1.0 1.0
   59    64    71    73   0.09850  1.0 1.0
   59    64    71    73   0.15250 -1.0 2.0
   59    64    71    73  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    71   0.15000  1.0 3.0
   64    71    73    74   7.00000 -1.0 2.0
   64    71    73    75   7.00000 -1.0 2.0
   65    64    71    72   0.33100  1.0 3.0
   65    64    71    73   0.00000  1.0 1.0
   66    64    71    72   0.33100  1.0 3.0
   66    64    71    73   0.00000  1.0 1.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.00000  1.0 1.0
   71    73    75    78   0.09850  1.0 1.0
   71    73    75    78   0.15250 -1.0 2.0
   71    73    75    78  -0.50650  1.0 3.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    75   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.34400  1.0 1.0
   73    75    78    81   0.09450 -1.0 2.0
   73    75    78    81   0.11100  1.0 3.0
   74    73    75    76   0.33100  1.0 3.0
   74    73    75    77   0.33100  1.0 3.0
   74    73    75    78   0.00000  1.0 1.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84  -1.63150  1.0 1.0
   75    78    81    84  -0.43550 -1.0 2.0
   75    78    81    84   0.24500  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    84    85   0.41150 -1.0 2.0
   78    81    84    86   0.41150 -1.0 2.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84  -0.11250  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84  -0.11250  1.0 3.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   83    81    84    86   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   44    50    49    54   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   64    72    71    73  15.00000 -1.0 2.0
   75    74    73    71  15.00000 -1.0 2.0
   85    81    84    86  10.50000 -1.0 2.0
END
