* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    154    214     443
    1     0 S   NP   _N1_     1    28.41816    98.58625   -19.92239
    2     1 S   H    _HN1     2     1.02958    64.48277   -15.14038
    3     1 S   H    _H1_     3     1.02836    51.61863   127.28541
    4     1 S   H    _H2_     4     1.02776    94.44658  -123.35314
    5     1 S   CT   _CA1     5     1.50126   152.51126    70.21053
    6     5 S   HC   _HA1     6     1.09574   105.22251   103.88526
    7     5 S   CO3  _C1_     7     1.53792   112.36301   -16.31859
    8     7 S   O2Z  _O11     8     1.26365   114.99779   -43.91591
    9     7 S   O2Z  _O12     9     1.26237   114.93431   135.20949
   10     5 S   CT   _CB1    10     1.53100   107.42608  -138.19292
   11    10 S   HC   HB11    11     1.09826   109.35160   -50.48944
   12    10 S   HC   HB12    12     1.09816   110.41842    66.07340
   13    10 S   CT   _CG1    13     1.53013   112.65982  -171.56027
   14    13 S   HC   HG11    14     1.09595   110.48153   -64.03859
   15    13 S   HC   HG12    15     1.09656   109.92862    55.15607
   16    13 S   C    _CD1    16     1.51839   112.33510   175.53779
   17    16 S   O    _OE1    17     1.22747   123.29216    -0.20558
   18    16 S   N    _N2_    18     1.38534   111.67671   179.73459
   19    18 S   H    _HN2    19     1.01567   119.03515     4.73152
   20    18 S   CT1  _CA2    20     1.45890   122.98602   178.03029
   21    20 S   HC   _HA2    21     1.09722   108.98247    22.44335
   22    20 S   C    _C2_    22     1.52872   106.79014   -94.65435
   23    22 S   O    _O2_    23     1.22993   122.95131   -29.54710
   24    20 S   CT   _CB2    32     1.53230   111.99421   145.59166
   25    24 S   HC   HB21    33     1.09381   109.71944    54.39983
   26    24 S   HC   HB22    34     1.09500   109.94875   172.99112
   27    22 S   N    _N3_    24     1.38485   112.64690   152.92623
   28    27 S   H    _HN3    25     1.01649   120.38093    -0.86863
   29    24 S   S    _SG2    35     1.83209   110.47610   -67.54179
   30    27 S   CT   _CA3    26     1.45360   122.43250   178.85226
   31    30 S   HC   HA31    27     1.09563   107.52189   -63.07832
   32    30 S   HC   HA32    28     1.09572   107.88497    53.23366
   33    29 S   CT   _C9_    36     1.88227   101.84616   163.08820
   34    30 S   CO3  _C3_    29     1.52891   114.40730   175.29818
   35    34 S   O2Z  _O31    30     1.26329   116.10708     1.70731
   36    34 S   O2Z  _O32    31     1.26459   114.39940  -178.23741
   37    33 S   CM   _C11    37     1.52580   106.70542    53.28230
   38    37 S   HC   _H15    38     1.09530   112.22950    60.18932
   39    33 S   CT   _C10    46     1.53826   106.71952   -74.46944
   40    39 S   HC   _H12    47     1.09723   111.24363   -60.75963
   41    39 S   HC   _H13    48     1.09427   113.12412    59.77631
   42    39 S   HC   _H14    49     1.09535   111.59036  -179.64557
   43    33 S   CT   _C8_    50     1.56382   104.57304   169.63492
   44    43 S   HC   _H10    51     1.10013   109.02398    49.17363
   45    43 S   HC   _H11    52     1.09991   109.98349   -66.24729
   46    37 S   CMA  _C12    39     1.35793   132.45799  -119.97373
   47    46 S   OM   _O33    40     1.26899   123.13778   179.14431
   48    43 S   CT   _C7_    53     1.54002   117.62254   169.36425
   49    48 S   HC   _H8_    54     1.09637   110.07307   -60.80539
   50    48 S   HC   _H9_    55     1.09640   108.31604  -174.22328
   51    46 S   OS   _O34    41     1.40975   112.86663     0.28531
   52    48 S   CM   _C6_    56     1.49933   115.12122    62.00739
   53    52 S   HC   _H7_    57     1.08908   114.41559   -86.68717
   54    51 S   CT   _C13    42     1.42708   114.70545  -147.25518
   55    54 S   HC   _H16    43     1.09402   107.73672   171.96349
   56    54 S   HC   _H17    44     1.09553   111.15629    53.82496
   57    54 S   HC   _H18    45     1.09482   111.00985   -70.11673
   58    52 S   CM   _C5_    58     1.34715   127.65826    95.14006
   59    58 S   CT   _C4_    59     1.50360   124.64732    -2.58543
   60    59 S   HC   _H4_    60     1.09427   110.44981   113.59961
   61    59 S   HC   _H5_    61     1.09280   113.20024    -7.39563
   62    59 S   HC   _H6_    62     1.09530   110.15549  -126.73858
   63    58 S   CT   _C14    63     1.51781   119.97035   179.48795
   64    63 S   HC   _H19    64     1.09647   109.21536   137.95575
   65    63 S   HC   _H20    65     1.09573   108.98809    22.40870
   66    63 S   CT   _C15    66     1.53296   111.91332   -98.95225
   67    66 S   HC   _H21    67     1.09676   109.45240    64.01525
   68    66 S   HC   _H22    68     1.09706   108.25263   -51.00280
   69    66 S   CT   _C16    69     1.54197   115.58639  -171.69095
   70    69 S   HC   _H3_    70     1.09811   106.52421   179.33002
   71    69 S   CT   _C17    71     1.55325   116.79236   -60.55423
   72    69 S   OS   _O36    82     1.43226   108.10807    62.87772
   73    71 S   CT   _C18    72     1.53250   111.67212   -54.83815
   74    73 S   HC   _H23    73     1.09515   111.42049    66.14114
   75    73 S   HC   _H24    74     1.09638   110.83886  -176.41559
   76    73 S   HC   _H25    75     1.09470   111.55283   -55.74104
   77    71 S   CT   _C19    76     1.53533   110.63378  -177.05011
   78    77 S   HC   _H26    77     1.09556   111.26724   -62.64984
   79    77 S   HC   _H27    78     1.09472   111.54998    59.04392
   80    77 S   HC   _H28    79     1.09637   110.89170   179.70392
   81    71 S   OH   _O35    80     1.42993   109.97699    65.10332
   82    81 S   HO   _H29    81     0.97186   108.30890  -179.88636
   83    72 S   P3   _P1_    83     1.65035   119.48623   103.91646
   84    83 S   O2Z  _O38    84     1.52511   103.56421  -179.43977
   85    83 S   O2Z  _O39    85     1.52551   104.64733    60.84699
   86    83 S   O2Z  _O37    86     1.52520   104.74043   -59.65552
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  13   5   8   3   2   1   9   5   4   6   2   7
   4   3   4  10   3   3   2   1   1  11   7   3   2   1   9   5
   4  10   5   4  17   6  12   7   9   4   3   2   5   3   2   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50    52  
   35    36  
   36  
    0  
   38    46    47    51    54    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    52    53    58    46  
   45    48    49    50    52  
   48    49    50    52  
   47    51    54    55    56    57  
   51    54  
   49    50    52    53    58    59    63  
   50    52    53    58  
   52    53    58  
   54    55    56    57  
   53    58    59    60    61    62    63    64    65    66  
   58    59    63  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66    67    68    69    70    71    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    73    77    81    72    83  
   68    69    70    71    72  
   69    70    71    72  
   70    71    73    74    75    76    77    78    79    80    81    82    72    83    84    85    86  
   71    73    77    81    72    83  
   73    74    75    76    77    78    79    80    81    82    72    83  
   83    84    85    86    73    77    81  
   74    75    76    77    78    79    80    81    82  
   75    76    77    81  
   76    77    81  
   77    81  
   78    79    80    81    82  
   79    80    81  
   80    81  
   81  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   84   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   85   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   86   2.9800   0.2000  -1.119967   1.6890   1.4900   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    51   440.000  1.360
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    53   340.000  1.080
   52    58   549.000  1.340
   58    59   317.000  1.510
   58    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    72   320.000  1.410
   71    73   268.000  1.529
   71    77   268.000  1.529
   71    81   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   72    83   230.000  1.630
   83    84   525.000  1.516
   83    85   525.000  1.516
   83    86   525.000  1.516
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    58.35000  112.70000
   37    46    47    65.00000  137.10300
   37    46    51    80.00000  120.01400
   46    37    38    40.00000  120.50800
   46    51    54    90.00000  111.18400
   51    46    47    65.00000  121.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    52    70.00000  112.02700
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    58    70.00000  124.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    58    59    70.00000  124.00000
   52    58    63    70.00000  124.00000
   58    52    53    35.00000  120.00000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    58    59    65.00000  117.92700
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    72    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    77    58.35000  112.70000
   69    71    81    50.00000  109.50000
   69    72    83    80.00000  112.68000
   71    69    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    37.50000  110.70000
   71    81    82    55.00000  108.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    71    73    50.00000  109.50000
   81    71    77    50.00000  109.50000
   72    69    70    35.00000  109.50000
   72    69    71    50.00000  109.50000
   72    83    84   100.00000  107.00000
   72    83    85   100.00000  107.00000
   72    83    86   100.00000  107.00000
   85    83    84   140.00000  114.00000
   86    83    84   140.00000  114.00000
   86    83    85   140.00000  114.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.44750  1.0 1.0
   29    33    43    48  -0.17800 -1.0 2.0
   29    33    43    48   0.20200  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.15000  1.0 3.0
   33    43    48    50   0.15000  1.0 3.0
   33    43    48    52   0.34400  1.0 1.0
   33    43    48    52   0.09450 -1.0 2.0
   33    43    48    52   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48   0.34400  1.0 1.0
   37    33    43    48   0.09450 -1.0 2.0
   37    33    43    48   0.11100  1.0 3.0
   37    46    51    54  -2.26850  1.0 1.0
   37    46    51    54   3.39050 -1.0 2.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    54    55   0.08050  1.0 3.0
   46    51    54    56   0.08050  1.0 3.0
   46    51    54    57   0.08050  1.0 3.0
   47    46    51    54   2.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48   0.56750  1.0 1.0
   39    33    43    48  -0.07550 -1.0 2.0
   39    33    43    48   0.20000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    58   0.09850  1.0 1.0
   43    48    52    58   0.15250 -1.0 2.0
   43    48    52    58  -0.50650  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    52   0.15000  1.0 3.0
   48    52    58    59   7.00000 -1.0 2.0
   48    52    58    63   7.00000 -1.0 2.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    58   0.00000  1.0 1.0
   50    48    52    53   0.33100  1.0 3.0
   50    48    52    58   0.00000  1.0 1.0
   52    58    59    60   0.00000  1.0 1.0
   52    58    59    61   0.00000  1.0 1.0
   52    58    59    62   0.00000  1.0 1.0
   52    58    63    64   0.00000  1.0 1.0
   52    58    63    65   0.00000  1.0 1.0
   52    58    63    66   0.09850  1.0 1.0
   52    58    63    66   0.15250 -1.0 2.0
   52    58    63    66  -0.50650  1.0 3.0
   53    52    58    59   7.00000 -1.0 2.0
   53    52    58    63   7.00000 -1.0 2.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    66    68   0.15000  1.0 3.0
   58    63    66    69   0.34400  1.0 1.0
   58    63    66    69   0.09450 -1.0 2.0
   58    63    66    69   0.11100  1.0 3.0
   59    58    63    64   0.34800  1.0 3.0
   59    58    63    65   0.34800  1.0 3.0
   59    58    63    66   0.46850  1.0 1.0
   59    58    63    66   0.08550 -1.0 2.0
   59    58    63    66   0.09800  1.0 3.0
   63    58    59    60   0.34800  1.0 3.0
   63    58    59    61   0.34800  1.0 3.0
   63    58    59    62   0.34800  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.56750  1.0 1.0
   63    66    69    71  -0.07550 -1.0 2.0
   63    66    69    71   0.20000  1.0 3.0
   63    66    69    72   0.62750  1.0 1.0
   63    66    69    72  -0.30950 -1.0 2.0
   63    66    69    72   0.27300  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    71    73   0.56750  1.0 1.0
   66    69    71    73  -0.07550 -1.0 2.0
   66    69    71    73   0.20000  1.0 3.0
   66    69    71    77   0.56750  1.0 1.0
   66    69    71    77  -0.07550 -1.0 2.0
   66    69    71    77   0.20000  1.0 3.0
   66    69    71    81   0.86500  1.0 1.0
   66    69    71    81  -0.17500 -1.0 2.0
   66    69    71    81   0.20800  1.0 3.0
   66    69    72    83  -2.65550  1.0 1.0
   66    69    72    83  -0.22350 -1.0 2.0
   66    69    72    83   0.24150  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.23400  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.23400  1.0 3.0
   69    71    73    74   0.15000  1.0 3.0
   69    71    73    75   0.15000  1.0 3.0
   69    71    73    76   0.15000  1.0 3.0
   69    71    77    78   0.15000  1.0 3.0
   69    71    77    79   0.15000  1.0 3.0
   69    71    77    80   0.15000  1.0 3.0
   69    71    81    82  -0.11600  1.0 1.0
   69    71    81    82  -0.09450 -1.0 2.0
   69    71    81    82   0.21250  1.0 3.0
   69    72    83    84   0.00000  1.0 1.0
   69    72    83    85   0.00000  1.0 1.0
   69    72    83    86   0.00000  1.0 1.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    77   0.15000  1.0 3.0
   70    69    71    81   0.23400  1.0 3.0
   70    69    72    83   0.03000  1.0 3.0
   71    69    72    83  -2.65550  1.0 1.0
   71    69    72    83  -0.22350 -1.0 2.0
   71    69    72    83   0.24150  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
   73    71    81    82  -0.11600  1.0 1.0
   73    71    81    82  -0.09450 -1.0 2.0
   73    71    81    82   0.21250  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
   77    71    81    82  -0.11600  1.0 1.0
   77    71    81    82  -0.09450 -1.0 2.0
   77    71    81    82   0.21250  1.0 3.0
   81    71    73    74   0.23400  1.0 3.0
   81    71    73    75   0.23400  1.0 3.0
   81    71    73    76   0.23400  1.0 3.0
   81    71    77    78   0.23400  1.0 3.0
   81    71    77    79   0.23400  1.0 3.0
   81    71    77    80   0.23400  1.0 3.0
   72    69    71    73   0.62750  1.0 1.0
   72    69    71    73  -0.30950 -1.0 2.0
   72    69    71    73   0.27300  1.0 3.0
   72    69    71    77   0.62750  1.0 1.0
   72    69    71    77  -0.30950 -1.0 2.0
   72    69    71    77   0.27300  1.0 3.0
   72    69    71    81   3.69350  1.0 1.0
   72    69    71    81  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   47    51    46    37  15.00000 -1.0 2.0
   48    53    52    58  15.00000 -1.0 2.0
   59    63    58    52  15.00000 -1.0 2.0
END
