* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    163    245     475
    1     0 S   NP   _N1_     1    29.40541    95.64542   -17.00948
    2     1 S   H    _HN1     2     1.02803    61.15974   -73.11943
    3     1 S   H    _H1_     3     1.02942   104.55691    29.82088
    4     1 S   H    _H2_     4     1.02857    49.92522   130.32820
    5     1 S   CT   _CA1     5     1.50098   144.06370  -161.38674
    6     5 S   HC   _HA1     6     1.09597   105.26383    10.50333
    7     5 S   CO3  _C1_     7     1.53978   111.75461  -109.26985
    8     7 S   O2Z  _O11     8     1.26371   115.32344   -62.99213
    9     7 S   O2Z  _O12     9     1.26268   114.84402   116.00180
   10     5 S   CT   _CB1    10     1.53113   107.33814   127.84168
   11    10 S   HC   HB11    11     1.09821   109.59784   -51.48289
   12    10 S   HC   HB12    12     1.09810   110.43528    64.99804
   13    10 S   CT   _CG1    13     1.53012   112.43696  -172.51916
   14    13 S   HC   HG11    14     1.09536   110.42022   -53.44232
   15    13 S   HC   HG12    15     1.09607   110.26107    65.32776
   16    13 S   C    _CD1    16     1.51855   111.57275  -174.86905
   17    16 S   O    _OE1    17     1.22775   122.83574   -25.87573
   18    16 S   N    _N2_    18     1.38431   111.99372   155.50052
   19    18 S   H    _HN2    19     1.01529   119.01845     0.01978
   20    18 S   CT1  _CA2    20     1.46237   123.72017  -177.92491
   21    20 S   HC   _HA2    21     1.09716   109.41735   -12.98437
   22    20 S   C    _C2_    22     1.53464   108.77964  -128.75579
   23    22 S   O    _O2_    23     1.23042   122.15854  -151.43901
   24    20 S   CT   _CB2    32     1.53495   110.78932   109.23601
   25    24 S   HC   HB21    33     1.09503   109.57922    51.07595
   26    24 S   HC   HB22    34     1.09480   111.00381   169.93956
   27    22 S   N    _N3_    24     1.38482   113.68160    35.61874
   28    27 S   H    _HN3    25     1.01519   118.86568     0.35332
   29    24 S   S    _SG2    35     1.82806   111.61045   -70.80164
   30    27 S   CT   _CA3    26     1.45408   123.38073   176.64812
   31    30 S   HC   HA31    27     1.09535   109.13111    26.11253
   32    30 S   HC   HA32    28     1.09500   107.12338   142.98222
   33    29 S   CT   _C20    36     1.83510    99.63202   156.56151
   34    33 S   HC   _H7_    37     1.09534   105.82604    41.18133
   35    30 S   CO3  _C3_    29     1.52880   113.19295   -97.38874
   36    35 S   O2Z  _O31    30     1.26394   115.40422   -45.20951
   37    35 S   O2Z  _O32    31     1.26354   114.97624   135.77909
   38    33 S   CM   _C18    38     1.53486   111.93272   -80.33916
   39    33 S   CT   _C21    84     1.53087   109.09495   155.04467
   40    39 S   HC   _H28    85     1.09507   112.94019    58.58177
   41    39 S   HC   _H29    86     1.09611   110.53398   179.16163
   42    39 S   HC   _H30    87     1.09637   110.82974   -62.25101
   43    38 S   CMA  _C17    39     1.36878   122.21830   125.46292
   44    43 S   OM   _O37    40     1.26931   125.71245     0.61262
   45    38 S   CT   _C19    79     1.52151   116.56699   -56.79532
   46    45 S   HC   _H25    80     1.09536   112.06731  -145.78726
   47    45 S   HC   _H26    81     1.09333   111.90458   -26.79584
   48    43 S   OS   _O35    41     1.41852   111.22461   179.65226
   49    45 S   OH   _O36    82     1.42080   109.62203    93.47914
   50    49 S   HO   _H27    83     0.97483   107.07070   168.23647
   51    48 S   CT   _C16    42     1.43347   115.20500   143.96076
   52    51 S   HC   _H23    43     1.09277   110.16240   -38.94778
   53    51 S   HC   _H24    44     1.09606   108.97337    81.01795
   54    51 S   CT   _C13    45     1.52497   107.57513  -159.70232
   55    54 S   HC   _H6_    46     1.10072   107.51051   -51.12817
   56    54 S   CT   _C14    47     1.52746   114.03188    66.87421
   57    56 S   HC   _H19    48     1.09510   111.82888    49.12545
   58    56 S   HC   _H20    49     1.09364   112.22008   -71.95406
   59    56 S   CT   _C15    50     1.51690   103.42075   168.07719
   60    59 S   HC   _H21    51     1.09503   111.46374    80.77760
   61    59 S   HC   _H22    52     1.09289   114.15460  -154.08226
   62    59 S   NP   _N4_    53     1.51109   104.62185   -33.79097
   63    62 S   H    _H4_    54     1.02933   108.31347   132.15826
   64    62 S   CT   _C11    55     1.50878   115.83115  -106.12993
   65    64 S   HC   _H17    56     1.09516   108.61649    22.20968
   66    64 S   HC   _H18    57     1.09305   108.44062   -98.00533
   67    64 S   CT   _C10    58     1.51779   103.57808   140.91262
   68    67 S   HC   _H15    59     1.09641   110.27807    78.43034
   69    67 S   HC   _H16    60     1.09356   110.79375  -161.26725
   70    67 S   CT   _C9_    61     1.52565   102.81731   -39.39744
   71    70 S   HC   _H3_    62     1.09598   112.65059   162.75338
   72    54 S   CT   _C12    63     1.52552   116.13929  -171.90614
   73    72 S   HC   _H5_    64     1.09718   110.92644    90.54577
   74    70 S   OS   _O34    65     1.43786   109.63926   -74.79873
   75    74 S   CO4  _C8_    66     1.35985   116.47720   -80.52596
   76    75 S   O    _O33    67     1.22126   127.05340     0.27052
   77    75 S   CM   _C6_    68     1.48047   108.70642  -179.91377
   78    77 S   CM   _C5_    69     1.34413   120.20559  -124.91853
   79    78 S   HC   _H11    70     1.08934   117.87210  -177.75145
   80    77 S   CT   _C7_    75     1.49668   116.77253    57.78004
   81    80 S   HC   _H12    76     1.09419   110.66595   -74.18171
   82    80 S   HC   _H13    77     1.09493   110.62774    46.28942
   83    80 S   HC   _H14    78     1.09334   111.55920   165.58171
   84    78 S   CT   _C4_    71     1.49566   127.90520     3.58408
   85    84 S   HC   _H8_    72     1.09413   109.87384  -112.87403
   86    84 S   HC   _H9_    73     1.09487   109.41706   128.57408
   87    84 S   HC   _H10    74     1.09270   113.50122     8.82710
  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
  13   7   2   1   1  13   5   2   1   1  10   3   5   3   2   7
   1   1  12   5   4  16   8  11   6   5  11   5   4  12   7  10
   6   5   8   5   4   7   4   3   1   5   9   3  10   9   5   4
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    51    45    46    47    49    50    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    51    52    53    54    45    46    47    49  
   48    51    45  
   46    47    49    50    48  
   47    49    50  
   49    50  
   51    52    53    54    55    56    72  
   50  
    0  
   52    53    54    55    56    57    58    59    62    70    72    73  
   53    54    55    56    72  
   54    55    56    72  
   55    56    57    58    59    60    61    62    63    64    67    70    71    72    73    74  
   56    57    58    59    62    70    72    73  
   57    58    59    60    61    62    63    64    70    72    73  
   58    59    60    61    62    72  
   59    60    61    62    72  
   60    61    62    63    64    65    66    67    70    72    73  
   61    62    63    64    72  
   62    63    64    72  
   63    64    65    66    67    68    69    70    71    72    73    74  
   64    65    66    67    70    72    73  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    70    72  
   67    68    69    70    72  
   68    69    70    71    72    73    74    75  
   69    70    71    72    74  
   70    71    72    74  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75  
   74  
   75    76    77    78    80  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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  -0.180000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   63   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   87   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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    72   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   367.000  1.471
   62    63   434.000  1.010
   62    64   367.000  1.471
   62    72   367.000  1.471
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    90.00000  110.39200
   43    48    51    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    72    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    58.35000  112.70000
   54    72    62    80.00000  111.20000
   54    72    70    58.35000  112.70000
   54    72    73    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    80.00000  111.20000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    35.00000  109.50000
   59    62    64    75.00000  113.01200
   59    62    72    75.00000  113.01200
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    80.00000  111.20000
   62    72    70    80.00000  111.20000
   62    72    73    35.00000  109.50000
   64    62    63    35.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    74    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    74    75    83.00000  116.90000
   72    54    55    37.50000  110.70000
   72    54    56    58.35000  112.70000
   72    62    63    35.00000  109.50000
   72    62    64    75.00000  113.01200
   72    70    71    37.50000  110.70000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    84    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    86    35.00000  109.50000
   78    84    87    35.00000  109.50000
   84    78    79    35.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    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
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  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
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.18000  1.0 1.0
   33    38    45    49   0.16450 -1.0 2.0
   33    38    45    49   0.04450  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    51  -2.26850  1.0 1.0
   38    43    48    51   3.39050 -1.0 2.0
   38    45    49    50  -0.07800  1.0 1.0
   38    45    49    50  -0.21500 -1.0 2.0
   38    45    49    50  -0.03150  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.67800  1.0 1.0
   43    38    45    49   0.47050 -1.0 2.0
   43    38    45    49  -0.62500  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54  -0.46850  1.0 1.0
   43    48    51    54   0.09300 -1.0 2.0
   43    48    51    54  -0.12850  1.0 3.0
   44    43    48    51   2.00000 -1.0 2.0
   48    51    54    55   0.23400  1.0 3.0
   48    51    54    56   0.62750  1.0 1.0
   48    51    54    56  -0.30950 -1.0 2.0
   48    51    54    56   0.27300  1.0 3.0
   48    51    54    72   0.62750  1.0 1.0
   48    51    54    72  -0.30950 -1.0 2.0
   48    51    54    72   0.27300  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    58   0.15000  1.0 3.0
   51    54    56    59   0.56750  1.0 1.0
   51    54    56    59  -0.07550 -1.0 2.0
   51    54    56    59   0.20000  1.0 3.0
   51    54    72    62   1.36600  1.0 1.0
   51    54    72    62  -0.11450 -1.0 2.0
   51    54    72    62   0.24250  1.0 3.0
   51    54    72    70   0.56750  1.0 1.0
   51    54    72    70  -0.07550 -1.0 2.0
   51    54    72    70   0.20000  1.0 3.0
   51    54    72    73   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    72   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    72   0.15000  1.0 3.0
   54    56    59    60   0.15000  1.0 3.0
   54    56    59    61   0.15000  1.0 3.0
   54    56   -59    62   1.36600  1.0 1.0
   54    56   -59    62  -0.11450 -1.0 2.0
   54    56   -59    62   0.24250  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    59   0.15000  1.0 3.0
   55    54    72    62   0.19200  1.0 3.0
   55    54    72    70   0.15000  1.0 3.0
   55    54    72    73   0.15000  1.0 3.0
   56    54   -72    62   1.36600  1.0 1.0
   56    54   -72    62  -0.11450 -1.0 2.0
   56    54   -72    62   0.24250  1.0 3.0
   56    54    72    70   0.56750  1.0 1.0
   56    54    72    70  -0.07550 -1.0 2.0
   56    54    72    70   0.20000  1.0 3.0
   56    54    72    73   0.15000  1.0 3.0
   56    59    62    63   0.17350  1.0 3.0
   56    59    62    64   0.47100  1.0 1.0
   56    59   -62    72   0.47100  1.0 1.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.19200  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.19200  1.0 3.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    66   0.15000  1.0 3.0
   59    62    64    67   0.47100  1.0 1.0
   59    62   -72    54   0.47100  1.0 1.0
   59    62    72    70   0.47100  1.0 1.0
   59    62    72    73   0.15000  1.0 3.0
   60    59    62    63   0.13050  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    72   0.15000  1.0 3.0
   61    59    62    63   0.13050  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    72   0.15000  1.0 3.0
   62    64    67    68   0.19200  1.0 3.0
   62    64    67    69   0.19200  1.0 3.0
   62    64   -67    70   1.36600  1.0 1.0
   62    64   -67    70  -0.11450 -1.0 2.0
   62    64   -67    70   0.24250  1.0 3.0
   63    62    64    65   0.13050  1.0 3.0
   63    62    64    66   0.13050  1.0 3.0
   63    62    64    67   0.17350  1.0 3.0
   63    62    72    54   0.17350  1.0 3.0
   63    62    72    70   0.17350  1.0 3.0
   63    62    72    73   0.13050  1.0 3.0
   64    62    72    54   0.47100  1.0 1.0
   64    62   -72    70   0.47100  1.0 1.0
   64    62    72    73   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67   -70    72   0.56750  1.0 1.0
   64    67   -70    72  -0.07550 -1.0 2.0
   64    67   -70    72   0.20000  1.0 3.0
   64    67    70    74   0.62750  1.0 1.0
   64    67    70    74  -0.30950 -1.0 2.0
   64    67    70    74   0.27300  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    54   0.56750  1.0 1.0
   67    70    72    54  -0.07550 -1.0 2.0
   67    70    72    54   0.20000  1.0 3.0
   67    70   -72    62   1.36600  1.0 1.0
   67    70   -72    62  -0.11450 -1.0 2.0
   67    70   -72    62   0.24250  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    74    75  -0.25900  1.0 1.0
   67    70    74    75  -0.47000 -1.0 2.0
   67    70    74    75   0.11750  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    74   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    74   0.23400  1.0 3.0
   70    74    75    76   3.00000 -1.0 2.0
   70    74    75    77   2.00000 -1.0 2.0
   71    70    72    54   0.15000  1.0 3.0
   71    70    72    62   0.19200  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    74    75   0.08050  1.0 3.0
   72    54    56    57   0.15000  1.0 3.0
   72    54    56    58   0.15000  1.0 3.0
   72    54   -56    59   0.56750  1.0 1.0
   72    54   -56    59  -0.07550 -1.0 2.0
   72    54   -56    59   0.20000  1.0 3.0
   72    62    64    65   0.15000  1.0 3.0
   72    62    64    66   0.15000  1.0 3.0
   72    62   -64    67   0.47100  1.0 1.0
   72    70    74    75  -0.25900  1.0 1.0
   72    70    74    75  -0.47000 -1.0 2.0
   72    70    74    75   0.11750  1.0 3.0
   74    70    72    54   0.62750  1.0 1.0
   74    70    72    54  -0.30950 -1.0 2.0
   74    70    72    54   0.27300  1.0 3.0
   74    70    72    62   1.69300  1.0 1.0
   74    70    72    62  -0.48450 -1.0 2.0
   74    70    72    73   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    84    85   0.00000  1.0 1.0
   77    78    84    86   0.00000  1.0 1.0
   77    78    84    87   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    86   0.33100  1.0 3.0
   79    78    84    87   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
END
