* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    154    232     448
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02133    37.61244  -155.93940
    3     1 S   H    _H1_     3     1.02152   100.28977   -48.61226
    4     1 S   H    _H2_     4     1.02097    77.51307    58.45764
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C24    36     1.84177   100.49846   179.97202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C25    37     1.53317   108.08519    80.02367
   38    37 S   HC   _H24    38     1.09422   112.65201   -62.25800
   39    37 S   HC   _H25    39     1.09791   109.77851    55.75085
   40    37 S   HC   _H26    40     1.09646   112.05773   173.70409
   41    33 S   OH   _O37    41     1.43185   110.48723  -166.15748
   42    41 S   HO   _H27    42     0.97076   106.87411   -56.11108
   43    33 S   OS   _O36    43     1.43893   113.57484   -36.81815
   44    43 S   CA   _C21    44     1.36551   121.97931   -91.69254
   45    44 S   CA   _C20    45     1.39501   120.00088  -149.96982
   46    45 S   HA   _H21    46     1.08598   120.34525    -0.15577
   47    45 S   CA   _C19    47     1.39479   120.00747   179.93744
   48    47 S   HA   _H20    48     1.08659   119.55914   179.97202
   49    47 S   CA   _C18    49     1.39485   120.01895    -0.09891
   50    49 S   CA   _C23    50     1.39500   119.99662     0.03956
   51    50 S   HA   _H23    51     1.08692   120.51661   179.96044
   52    49 S   CT   _C7_    54     1.49144   120.03814  -179.95154
   53    44 S   CA   _C22    52     1.39485   120.02542    29.86807
   54    53 S   HA   _H22    53     1.08602   120.34268     0.09279
   55    52 S   CA   _C10    55     1.58259   112.66649   -59.94959
   56    52 S   CO4  _C6_    72     1.60059   116.39422  -177.84987
   57    56 S   O    _O33    73     1.23426   119.94114  -120.88994
   58    52 S   CT   _C8_    81     1.58792   108.50081    62.58378
   59    58 S   HC   _H8_    82     1.09883   108.86510   176.16212
   60    58 S   HC   _H9_    83     1.09687   112.61031   -66.93370
   61    55 S   CA   _C11    56     1.39476   119.99612   150.01021
   62    61 S   HA   _H13    57     1.08677   120.49760    -0.00000
   63    56 S   CT   _C5_    74     1.52855   119.90639    63.38723
   64    63 S   HC   _H6_    75     1.09327   109.08491   -30.03455
   65    63 S   HC   _H7_    76     1.09371   108.86462    88.69815
   66    58 S   CT   _C9_    84     1.52948   115.04535    56.07020
   67    66 S   HC   _H10    85     1.09571   109.60556   -58.91287
   68    66 S   HC   _H11    86     1.09360   112.23823    60.73277
   69    66 S   HC   _H12    87     1.09390   111.58364  -177.12513
   70    61 S   CA   _C12    58     1.39484   119.97503  -179.98022
   71    70 S   HA   _H14    59     1.08768   119.65171   179.94065
   72    63 S   CT   _C4_    77     1.51999   112.49566  -150.88119
   73    72 S   HC   _H3_    78     1.09513   111.07148   -59.00951
   74    72 S   HC   _H4_    79     1.09425   110.37763    60.91660
   75    72 S   HC   _H5_    80     1.09531   111.04361  -179.07127
   76    70 S   CA   _C13    60     1.39457   120.03412    -0.05595
   77    76 S   CA   _C14    61     1.39476   119.99073     0.04846
   78    77 S   HA   _H15    62     1.08615   120.37515   179.95154
   79    76 S   OS   _O34    65     1.36082   120.02846   179.90109
   80    55 S   CA   _C15    63     1.39475   119.97622   -29.99883
   81    80 S   HA   _H16    64     1.08676   120.52421    -0.08393
   82    79 S   CO4  _C16    66     1.40520   114.05764    90.01635
   83    82 S   O    _O35    67     1.22404   125.78100    -0.05935
   84    82 S   CT   _C17    68     1.50059   109.99523  -179.98022
   85    84 S   HC   _H17    69     1.09300   109.84378   -90.09343
   86    84 S   HC   _H18    70     1.09456   109.27585   150.91449
   87    84 S   HC   _H19    71     1.09224   109.81780    31.89251
  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
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   9   3
  15   7   3  21   1   1  16  14   5   9   5   4   8   4   6   5
   4   3   2   1   1   7   3   3   2   1   1   8   5   3   7   1
   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    53    54  
   45    46    47    48    49    50    51    53    54  
   46    47    48    49    50    53    54    52  
   47    48    49    53  
   48    49    50    51    53    52    55    56    58  
   49    50    52  
   50    51    53    54    52    55    61    80    56    57    63    58    59    60    66  
   51    53    54    52    55    56    58  
   53    54    52  
   55    61    62    70    77    80    81    56    57    63    64    65    72    58    59    60    66    67    68    69    53  
   54  
    0  
   61    62    70    71    76    77    78    80    81    56    57    63    58    59    60    66  
   57    63    64    65    72    73    74    75    58    59    60    66    61    80  
   63    64    65    72    58  
   59    60    66    67    68    69    61    63    80  
   60    66    67    68    69  
   66    67    68    69  
   62    70    71    76    77    80    81    79  
   70    71    76    80  
   64    65    72    73    74    75  
   65    72    73    74    75  
   72    73    74    75  
   67    68    69  
   68    69  
   69  
    0  
   71    76    77    78    80    79    82  
   76    77    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    80    81    79    82    83    84  
   78    80    81    79    82  
   80    81    79  
   82    83    84    85    86    87    80  
   81  
    0  
   83    84    85    86    87  
   84    85    86    87  
   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  -0.175000   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   3.5000   0.0660   0.372200   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    53   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    52   317.000  1.510
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   52    55   317.000  1.510
   52    56   317.000  1.522
   52    58   268.000  1.529
   55    61   469.000  1.400
   55    80   469.000  1.400
   61    62   367.000  1.080
   61    70   469.000  1.400
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    80   469.000  1.400
   80    81   367.000  1.080
   79    82   214.000  1.327
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   56    57   570.000  1.229
   56    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    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  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    53    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    53    50    63.00000  120.00000
   44    53    54    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    52    70.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    53    63.00000  120.00000
   49    52    55    70.00000  112.04700
   49    52    56    70.00000  110.93000
   49    52    58    70.00000  112.17500
   50    53    54    35.00000  120.00000
   53    44    45    63.00000  120.00000
   53    50    51    35.00000  120.00000
   52    49    50    70.00000  120.00000
   52    55    61    70.00000  120.00000
   52    55    80    70.00000  120.00000
   52    56    57    80.00000  120.40000
   52    56    63    70.00000  116.00000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    66    58.35000  112.70000
   55    61    62    35.00000  120.00000
   55    61    70    63.00000  120.00000
   55    80    77    63.00000  120.00000
   55    80    81    35.00000  120.00000
   61    70    71    35.00000  120.00000
   61    70    76    63.00000  120.00000
   70    61    62    35.00000  120.00000
   70    76    77    63.00000  120.00000
   70    76    79    70.00000  120.00000
   76    70    71    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    80    63.00000  120.00000
   76    79    82    85.00000  115.98000
   77    80    81    35.00000  120.00000
   80    55    61    63.00000  120.00000
   80    77    78    35.00000  120.00000
   79    76    77    70.00000  120.00000
   79    82    83    83.00000  123.40000
   79    82    84    81.00000  111.40000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   84    82    83    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   56    52    55    70.00000  110.93000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    72    63.00000  111.10000
   63    56    57    80.00000  120.40000
   63    72    73    37.50000  110.70000
   63    72    74    37.50000  110.70000
   63    72    75    37.50000  110.70000
   65    63    64    33.00000  107.80000
   72    63    64    37.50000  110.70000
   72    63    65    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   58    52    55    70.00000  112.17500
   58    52    56    63.00000  111.10000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    69    37.50000  110.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    53   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    53    50   3.62500 -1.0 2.0
   43    44    53    54   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   45    44    53    50   3.62500 -1.0 2.0
   45    44    53    54   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    52   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    52    55   0.04300 -1.0 2.0
   47    49    52    56   0.04300 -1.0 2.0
   47    49    52    58   0.04150 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   49    50   -53    44   3.62500 -1.0 2.0
   49    50    53    54   3.62500 -1.0 2.0
   49    52    55    61   0.04300 -1.0 2.0
   49    52    55    80   0.04300 -1.0 2.0
   49    52    56    57   0.30150 -1.0 2.0
   49    52    56    63   0.65300  1.0 1.0
   49    52    56    63  -0.03850 -1.0 2.0
   49    52    56    63   0.33900  1.0 3.0
   49    52    58    59   0.43200  1.0 3.0
   49    52    58    60   0.43200  1.0 3.0
   49    52    58    66  -0.03700  1.0 1.0
   49    52    58    66   0.37200 -1.0 2.0
   49    52    58    66  -0.47300  1.0 3.0
   50    49    52    55   0.04300 -1.0 2.0
   50    49    52    56   0.04300 -1.0 2.0
   50    49    52    58   0.04150 -1.0 2.0
   51    50    53    44   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   53    44    45    46   3.62500 -1.0 2.0
   53    44   -45    47   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    53   3.62500 -1.0 2.0
   52    55    61    62   3.62500 -1.0 2.0
   52    55    61    70   3.62500 -1.0 2.0
   52    55    80    77   3.62500 -1.0 2.0
   52    55    80    81   3.62500 -1.0 2.0
   52    56    63    64   0.00000  1.0 1.0
   52    56    63    65   0.00000  1.0 1.0
   52    56    63    72   0.60050  1.0 1.0
   52    56    63    72   0.05600 -1.0 2.0
   52    56    63    72   0.26150  1.0 3.0
   52    58    66    67   0.15000  1.0 3.0
   52    58    66    68   0.15000  1.0 3.0
   52    58    66    69   0.15000  1.0 3.0
   55    52    56    57   0.30150 -1.0 2.0
   55    52    56    63   0.65300  1.0 1.0
   55    52    56    63  -0.03850 -1.0 2.0
   55    52    56    63   0.33900  1.0 3.0
   55    52    58    59   0.43200  1.0 3.0
   55    52    58    60   0.43200  1.0 3.0
   55    52    58    66  -0.03700  1.0 1.0
   55    52    58    66   0.37200 -1.0 2.0
   55    52    58    66  -0.47300  1.0 3.0
   55    61    70    71   3.62500 -1.0 2.0
   55    61    70    76   3.62500 -1.0 2.0
   61    55    80    77   3.62500 -1.0 2.0
   61    55    80    81   3.62500 -1.0 2.0
   61    70   -76    77   3.62500 -1.0 2.0
   61    70    76    79   3.62500 -1.0 2.0
   62    61    70    71   3.62500 -1.0 2.0
   62    61    70    76   3.62500 -1.0 2.0
   70    76    77    78   3.62500 -1.0 2.0
   70    76    77    80   3.62500 -1.0 2.0
   70    76    79    82   0.01300  1.0 1.0
   70    76    79    82   0.97950 -1.0 2.0
   70    76    79    82  -0.55700  1.0 3.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    79   3.62500 -1.0 2.0
   76    77   -80    55   3.62500 -1.0 2.0
   76    77    80    81   3.62500 -1.0 2.0
   76    79    82    83   3.00000 -1.0 2.0
   76    79    82    84   0.75600  1.0 1.0
   76    79    82    84   1.63000 -1.0 2.0
   77    76    79    82   0.01300  1.0 1.0
   77    76    79    82   0.97950 -1.0 2.0
   77    76    79    82  -0.55700  1.0 3.0
   78    77    80    55   3.62500 -1.0 2.0
   78    77    80    81   3.62500 -1.0 2.0
   80    55    61    62   3.62500 -1.0 2.0
   80    55   -61    70   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    80   3.62500 -1.0 2.0
   79    82    84    85   0.00000  1.0 1.0
   79    82    84    86   0.00000  1.0 1.0
   79    82    84    87   0.00000  1.0 1.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.00000  1.0 1.0
   56    52    55    61   0.04300 -1.0 2.0
   56    52    55    80   0.04300 -1.0 2.0
   56    52    58    59  -0.11250  1.0 3.0
   56    52    58    60  -0.11250  1.0 3.0
   56    52    58    66  -0.95700  1.0 1.0
   56    52    58    66  -0.18200 -1.0 2.0
   56    52    58    66   0.29450  1.0 3.0
   56    63    72    73  -0.11250  1.0 3.0
   56    63    72    74  -0.11250  1.0 3.0
   56    63    72    75  -0.11250  1.0 3.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    65   0.00000  1.0 1.0
   57    56    63    72   0.30150 -1.0 2.0
   64    63    72    73   0.15000  1.0 3.0
   64    63    72    74   0.15000  1.0 3.0
   64    63    72    75   0.15000  1.0 3.0
   65    63    72    73   0.15000  1.0 3.0
   65    63    72    74   0.15000  1.0 3.0
   65    63    72    75   0.15000  1.0 3.0
   58    52    55    61   0.04150 -1.0 2.0
   58    52    55    80   0.04150 -1.0 2.0
   58    52    56    57   0.30150 -1.0 2.0
   58    52    56    63   0.60050  1.0 1.0
   58    52    56    63   0.05600 -1.0 2.0
   58    52    56    63   0.26150  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    69   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    69   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    53    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    52    49    47   4.00000 -1.0 2.0
   53    51    50    49   1.10000 -1.0 2.0
   50    54    53    44   1.10000 -1.0 2.0
   61    80    55    52   4.00000 -1.0 2.0
   70    62    61    55   1.10000 -1.0 2.0
   76    71    70    61   1.10000 -1.0 2.0
   77    79    76    70   4.00000 -1.0 2.0
   80    78    77    76   1.10000 -1.0 2.0
   77    81    80    55   1.10000 -1.0 2.0
   79    84    82    83  10.50000 -1.0 2.0
   52    63    56    57  10.50000 -1.0 2.0
END
