* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    28.94565    96.14007   -25.46781
    2     1 S   H    _HN1     2     1.02793   119.95253  -100.05685
    3     1 S   H    _H1_     3     1.02948    73.66109     2.08018
    4     1 S   H    _H2_     4     1.02826    33.44379  -176.81426
    5     1 S   CT   _CA1     5     1.50138   123.22447   106.10006
    6     5 S   HC   _HA1     6     1.09575   105.15033    94.29528
    7     5 S   CO3  _C1_     7     1.53765   112.43933   -25.86541
    8     7 S   O2Z  _O11     8     1.26376   115.00031   -42.69288
    9     7 S   O2Z  _O12     9     1.26236   114.94251   136.24986
   10     5 S   CT   _CB1    10     1.53056   107.39116  -147.77887
   11    10 S   HC   HB11    11     1.09841   109.29060   -49.55843
   12    10 S   HC   HB12    12     1.09809   110.49341    67.02756
   13    10 S   CT   _CG1    13     1.53015   112.64986  -170.50684
   14    13 S   HC   HG11    14     1.09573   110.70442   -67.69276
   15    13 S   HC   HG12    15     1.09672   109.71436    51.55192
   16    13 S   C    _CD1    16     1.51821   112.02028   171.98085
   17    16 S   O    _OE1    17     1.22758   123.19124    11.35458
   18    16 S   N    _N2_    18     1.38632   111.80186  -168.48207
   19    18 S   H    _HN2    19     1.01572   119.04400     0.71601
   20    18 S   CT1  _CA2    20     1.46258   123.45653   176.94758
   21    20 S   HC   _HA2    21     1.09742   109.20995     9.13717
   22    20 S   C    _C2_    22     1.53738   109.14895  -106.42350
   23    22 S   O    _O2_    23     1.23099   122.20610  -150.85953
   24    20 S   CT   _CB2    32     1.53460   111.49827   131.08902
   25    24 S   HC   HB21    33     1.09499   109.54246    57.04299
   26    24 S   HC   HB22    34     1.09439   109.71643   175.93408
   27    22 S   N    _N3_    24     1.38305   114.01356    36.72080
   28    27 S   H    _HN3    25     1.01525   119.62694    -3.31789
   29    24 S   S    _SG2    35     1.83251   111.03884   -64.77030
   30    27 S   CT   _CA3    26     1.45275   123.26866   177.16579
   31    30 S   HC   HA31    27     1.09548   107.52567   -64.58794
   32    30 S   HC   HA32    28     1.09557   107.98133    51.86366
   33    29 S   CT   _C20    36     1.85247   102.23684   168.27062
   34    33 S   OM   _O39    37     1.31658   111.78060   -62.12311
   35    30 S   CO3  _C3_    29     1.52968   114.06074   173.87615
   36    35 S   O2Z  _O31    30     1.26383   116.09963     0.23407
   37    35 S   O2Z  _O32    31     1.26428   114.41129  -179.72375
   38    33 S   CM   _C21    38     1.52881   109.30128   177.27200
   39    33 S   CO4  _C19    70     1.53711   107.24774    57.11785
   40    39 S   O    _O36    71     1.23443   123.42055   -88.75386
   41    38 S   CMA  _C23    39     1.36385   126.89217  -115.94795
   42    41 S   OM   _O38    40     1.26878   130.33586   178.44846
   43    38 S   C    _C22    74     1.50895   117.57030    64.14319
   44    43 S   O    _O37    75     1.22645   122.68545   -75.92678
   45    41 S   CT   _C16    41     1.55036   118.14379    -0.75485
   46    43 S   N    _N4_    76     1.37560   113.13828   103.98640
   47    46 S   H    _H13    77     1.01426   121.57052     0.67724
   48    46 S   H    _H14    78     1.01231   120.66684   179.91844
   49    45 S   CO4  _C15    42     1.53937   111.39301   -94.35232
   50    49 S   O    _O35    43     1.22982   122.39033   -16.34941
   51    45 S   OH   _O40    72     1.43683   111.40535   148.10686
   52    51 S   HO   _H15    73     0.97481   105.99102    35.15368
   53    49 S   CA   _C7_    44     1.50231   118.51597   164.80719
   54    53 S   CA   _C6_    45     1.39765   120.04927   -12.11040
   55    54 S   CA   _C5_    46     1.42835   119.38366   178.00188
   56    54 S   CT   _C18    65     1.51737   120.59454    -0.53008
   57    56 S   HC   _H11    66     1.09787   107.64533   104.07481
   58    56 S   HC   _H12    67     1.09718   109.57036  -139.24066
   59    55 S   CA   _C10    47     1.45311   121.85503     7.61064
   60    55 S   CT   _C4_    61     1.51798   117.42328  -171.10724
   61    60 S   HC   _H4_    62     1.09352   110.54877   -99.67920
   62    60 S   HC   _H5_    63     1.09315   113.15571    21.23035
   63    60 S   HC   _H6_    64     1.09381   110.57329   136.21128
   64    45 S   CT   _C17    68     1.52244   112.13933    27.99424
   65    64 S   HC   _H3_    69     1.09934   110.23921    61.92377
   66    59 S   CA   _C9_    48     1.42919   117.12435    -9.19988
   67    66 S   CA   _C14    49     1.43033   118.71133  -175.29730
   68    53 S   CA   _C8_    58     1.40686   120.80145   167.51770
   69    67 S   CA   _C13    50     1.39030   123.04592    -1.90670
   70    69 S   HA   _H8_    51     1.08590   121.46716  -179.81655
   71    67 S   OH   _O33    56     1.37624   120.48588   178.18361
   72    71 S   HO   _H9_    57     0.97154   109.69221   179.73533
   73    68 S   OH   _O34    59     1.37906   119.88229    -1.78816
   74    73 S   HO   _H10    60     0.97237   110.09709     3.74204
   75    69 S   CA   _C12    52     1.37595   118.99175    -1.48675
   76    75 S   HA   _H7_    53     1.08780   118.78535  -177.32468
   77    59 S   CA   _C11    54     1.44533   126.86192   170.74320
   78    77 S   Cl   Cl1_    55     1.74013   124.40547    -9.17575
  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   8   5   4   3
  13   6   2   1   1  13  12   4  13   5   5   3  12   2   1   1
  12   5   5   1  13  15  15   7   3   2  14   5   2   1   1   1
   1  11   9   5   7   4   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    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    41    64    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    56    64    65    39    40    43    44    46  
   38    41    64    39    40    43  
   36    37  
   37  
    0  
   41    42    45    49    64    39    40    51    43    44    46    47    48  
   40    51    43    41    45    49    54    56    57    58    64    65  
   45    56    64    65  
   42    45    49    50    53    56    64    65    51    52    43    44    46  
   45    49    64    51    43  
   44    46    47    48    45  
   46    47    48  
   49    50    53    54    68    56    57    58    64    65    51    52  
   47    48  
   48  
    0  
   50    53    54    55    66    68    73    56    64    65    51    52  
   53    54    68    64    51  
   52    53    56    64    65  
   64  
   54    55    59    66    67    68    73    74    60    56    57    58    64  
   55    59    66    77    68    73    60    61    62    63    56    57    58    64    65  
   59    66    67    75    77    78    68    60    61    62    63    56    57    58    64  
   57    58    64    65    59    60    68  
   58    64    65  
   64    65  
   66    67    69    75    76    77    78    71    68    73    60    61    62    63  
   61    62    63    66    77  
   62    63  
   63  
    0  
   65  
    0  
   67    69    70    75    77    78    71    72    68    73    74  
   69    70    75    76    77    71    72    68    73  
   73    74    69    71    77  
   70    75    76    77    78    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    49   317.000  1.522
   45    64   268.000  1.529
   45    51   320.000  1.410
   49    50   570.000  1.229
   49    53   310.000  1.470
   53    54   469.000  1.400
   53    68   469.000  1.400
   54    55   469.000  1.400
   54    56   317.000  1.510
   55    59   469.000  1.400
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    77   469.000  1.400
   66    67   469.000  1.400
   66    68   469.000  1.400
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   71    72   553.000  0.945
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    39   317.000  1.522
   39    40   570.000  1.229
   51    52   553.000  0.945
   43    44   570.000  1.229
   43    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    64    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    46    80.00000  111.56200
   41    45    49    70.00000  109.06800
   41    45    64    70.00000  112.02700
   41    45    51    90.00000  110.39200
   45    41    42    85.00000  112.85300
   45    49    50    80.00000  120.40000
   45    49    53    65.00000  115.47100
   45    64    56    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    64    39    63.00000  111.10000
   45    51    52    55.00000  108.50000
   49    53    54    60.00000  119.52600
   49    53    68    60.00000  119.52600
   53    49    50    75.00000  123.78400
   53    54    55    63.00000  120.00000
   53    54    56    70.00000  120.00000
   53    68    66    63.00000  120.00000
   53    68    73    70.00000  120.00000
   54    55    59    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.17500
   55    59    66    63.00000  120.00000
   55    59    77    63.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    67    63.00000  120.00000
   59    66    68    63.00000  120.00000
   59    77    75    63.00000  120.00000
   59    77    78    75.00000  120.00000
   66    67    69    63.00000  120.00000
   66    67    71    70.00000  120.00000
   66    68    73    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    75    63.00000  120.00000
   67    71    72    35.00000  113.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    59    66    63.00000  120.00000
   77    75    76    35.00000  120.00000
   71    67    69    70.00000  120.00000
   68    53    54    63.00000  120.00000
   68    66    67    63.00000  120.00000
   68    73    74    35.00000  113.00000
   60    55    59    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    39    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    45    49    63.00000  111.10000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    64    65    35.00000  109.50000
   51    45    49    90.00000  109.61100
   51    45    64    50.00000  109.50000
   43    38    41    60.00000  120.04000
   43    46    47    35.00000  119.80000
   43    46    48    35.00000  119.80000
   46    43    44    80.00000  122.90000
   48    46    47    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    64   0.65300  1.0 1.0
   29    33    39    64  -0.03850 -1.0 2.0
   29    33    39    64   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    46   1.59650  1.0 1.0
   33    38    43    46   0.42750 -1.0 2.0
   33    38    43    46  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    64   0.55300  1.0 1.0
   34    33    39    64   1.25850 -1.0 2.0
   34    33    39    64  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    64   0.65300  1.0 1.0
   38    33    39    64  -0.03850 -1.0 2.0
   38    33    39    64   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    49  -0.51250  1.0 1.0
   38    41    45    49  -0.88800 -1.0 2.0
   38    41    45    49   0.08850  1.0 3.0
   38    41   -45    64   0.09850  1.0 1.0
   38    41   -45    64   0.15250 -1.0 2.0
   38    41   -45    64  -0.50650  1.0 3.0
   38    41    45    51   0.67800  1.0 1.0
   38    41    45    51   0.47050 -1.0 2.0
   38    41    45    51  -0.62500  1.0 3.0
   38    43    46    47   2.56700 -1.0 2.0
   38    43    46    48   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    46   0.49500  1.0 1.0
   41    38    43    46   1.31600 -1.0 2.0
   41    38    43    46  -0.02300  1.0 3.0
   41    45    49    50   0.30150 -1.0 2.0
   41    45    49    53   0.65300  1.0 1.0
   41    45    49    53  -0.03850 -1.0 2.0
   41    45    49    53   0.33900  1.0 3.0
   41    45    64    56   0.34400  1.0 1.0
   41    45    64    56   0.09450 -1.0 2.0
   41    45    64    56   0.11100  1.0 3.0
   41    45    64    65   0.15000  1.0 3.0
   41    45    64    39  -0.98800  1.0 1.0
   41    45    64    39   0.48800 -1.0 2.0
   41    45    64    39   0.76800  1.0 3.0
   41    45    51    52  -0.07800  1.0 1.0
   41    45    51    52  -0.21500 -1.0 2.0
   41    45    51    52  -0.03150  1.0 3.0
   42    41    45    49   0.09700  1.0 1.0
   42    41    45    49   0.15600 -1.0 2.0
   42    41    45    49  -0.50800  1.0 3.0
   42    41    45    64   0.09700  1.0 1.0
   42    41    45    64   0.15600 -1.0 2.0
   42    41    45    64  -0.50800  1.0 3.0
   42    41    45    51   0.09700  1.0 1.0
   42    41    45    51   0.15600 -1.0 2.0
   42    41    45    51  -0.50800  1.0 3.0
   45    49    53    54   2.26350  1.0 1.0
   45    49    53    54   0.76750 -1.0 2.0
   45    49    53    54   0.22500  1.0 3.0
   45    49    53    68   2.26350  1.0 1.0
   45    49    53    68   0.76750 -1.0 2.0
   45    49    53    68   0.22500  1.0 3.0
   45    64   -39    33   0.60050  1.0 1.0
   45    64   -39    33   0.05600 -1.0 2.0
   45    64   -39    33   0.26150  1.0 3.0
   45    64    39    40   0.30150 -1.0 2.0
   49    45    64    56  -0.95700  1.0 1.0
   49    45    64    56  -0.18200 -1.0 2.0
   49    45    64    56   0.29450  1.0 3.0
   49    45    64    65  -0.11250  1.0 3.0
   49    45    64    39   0.11950  1.0 1.0
   49    45    64    39   0.20300 -1.0 2.0
   49    45    64    39  -0.70800  1.0 3.0
   49    45    51    52   0.91850  1.0 1.0
   49    45    51    52   0.57950  1.0 3.0
   49    53    54    55   3.62500 -1.0 2.0
   49    53   -54    56   3.62500 -1.0 2.0
   49    53    68    66   3.62500 -1.0 2.0
   49    53    68    73   3.62500 -1.0 2.0
   50    49    53    54   1.05000 -1.0 2.0
   50    49    53    68   1.05000 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    55    60   3.62500 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.04150 -1.0 2.0
   53    68    73    74   0.84100 -1.0 2.0
   54    53    68    66   3.62500 -1.0 2.0
   54    53    68    73   3.62500 -1.0 2.0
   54    55   -59    66   3.62500 -1.0 2.0
   54    55    59    77   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    45  -0.03700  1.0 1.0
   54    56   -64    45   0.37200 -1.0 2.0
   54    56   -64    45  -0.47300  1.0 3.0
   54    56    64    65   0.43200  1.0 3.0
   54    56    64    39   0.56750  1.0 1.0
   54    56    64    39  -0.07550 -1.0 2.0
   54    56    64    39   0.20000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.04150 -1.0 2.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    66    68   3.62500 -1.0 2.0
   55    59    77    75   3.62500 -1.0 2.0
   55    59    77    78   3.62500 -1.0 2.0
   59    55    60    61   0.00000  1.0 1.0
   59    55    60    62   0.00000  1.0 1.0
   59    55    60    63   0.00000  1.0 1.0
   59    66    67    69   3.62500 -1.0 2.0
   59    66    67    71   3.62500 -1.0 2.0
   59    66   -68    53   3.62500 -1.0 2.0
   59    66    68    73   3.62500 -1.0 2.0
   66    59    77    75   3.62500 -1.0 2.0
   66    59    77    78   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67   -69    75   3.62500 -1.0 2.0
   66    67    71    72   0.84100 -1.0 2.0
   66    68    73    74   0.84100 -1.0 2.0
   67    66    68    53   3.62500 -1.0 2.0
   67    66    68    73   3.62500 -1.0 2.0
   67    69    75    76   3.62500 -1.0 2.0
   67    69    75    77   3.62500 -1.0 2.0
   69    67    71    72   0.84100 -1.0 2.0
   69    75   -77    59   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    59   -66    67   3.62500 -1.0 2.0
   77    59    66    68   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   71    67    69    75   3.62500 -1.0 2.0
   68    53   -54    55   3.62500 -1.0 2.0
   68    53    54    56   3.62500 -1.0 2.0
   68    66    67    69   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   60    55    59    66   3.62500 -1.0 2.0
   60    55    59    77   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   56    64    39    33   0.60050  1.0 1.0
   56    64    39    33   0.05600 -1.0 2.0
   56    64    39    33   0.26150  1.0 3.0
   56    64    39    40   0.30150 -1.0 2.0
   57    56    64    45   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    39  -0.11250  1.0 3.0
   58    56    64    45   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    39  -0.11250  1.0 3.0
   64    45    49    50   0.30150 -1.0 2.0
   64    45   -49    53   0.05850 -1.0 2.0
   64    45   -49    53   0.17250  1.0 3.0
   64    45    51    52  -0.11600  1.0 1.0
   64    45    51    52  -0.09450 -1.0 2.0
   64    45    51    52   0.21250  1.0 3.0
   65    64    39    33   0.00000  1.0 1.0
   65    64    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   51    45    49    50   0.30150 -1.0 2.0
   51    45    49    53   0.65300  1.0 1.0
   51    45    49    53  -0.03850 -1.0 2.0
   51    45    49    53   0.33900  1.0 3.0
   51    45    64    56   0.86500  1.0 1.0
   51    45    64    56  -0.17500 -1.0 2.0
   51    45    64    56   0.20800  1.0 3.0
   51    45    64    65   0.23400  1.0 3.0
   51    45    64    39  -0.09450  1.0 1.0
   51    45    64    39  -1.12950 -1.0 2.0
   51    45    64    39   0.54000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    46    47   2.45000 -1.0 2.0
   44    43    46    48   2.45000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    53    49    50  10.50000 -1.0 2.0
   54    68    53    49   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   59    60    55    54   4.00000 -1.0 2.0
   66    77    59    55   4.00000 -1.0 2.0
   67    68    66    59   4.00000 -1.0 2.0
   69    71    67    66   4.00000 -1.0 2.0
   75    70    69    67   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    59   4.00000 -1.0 2.0
   66    73    68    53   4.00000 -1.0 2.0
   33    64    39    40  10.50000 -1.0 2.0
   38    46    43    44  10.50000 -1.0 2.0
   48    43    46    47   1.00000 -1.0 2.0
END
