* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    141    226     416
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   _C14    36     1.85899   100.78317   159.95942
   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   _C6_    37     1.56251   111.11423    60.03800
   38    37 S   HC   _H3_    38     1.09617   109.49241   -59.63817
   39    33 S   OH   _O34    61     1.43410   110.78810   177.42109
   40    39 S   HO   _H15    62     0.97200   107.01933   -60.59339
   41    33 S   OS   _O35    63     1.44682   110.19663   -56.00932
   42    37 S   CT   _C7_    39     1.54498   114.47530   175.96939
   43    42 S   HC   _H8_    40     1.09642   111.34909    43.55972
   44    42 S   HC   _H9_    41     1.09746   110.36876   -73.63186
   45    37 S   N    _N4_    53     1.45785   109.24593    53.31912
   46    45 S   H    _H7_    54     1.00978   118.65982    63.37094
   47    41 S   CA   _C15    64     1.36478   122.09511   -90.23822
   48    42 S   CA   _C8_    42     1.51294   112.79106   163.90257
   49    45 S   C    _C5_    55     1.37483   122.73256  -116.69619
   50    49 S   O    _O33    56     1.22590   126.84763     0.00000
   51    47 S   CA   _C16    65     1.39174   119.96012    30.02099
   52    51 S   HA   _H16    66     1.08640   120.35570    -0.12667
   53    47 S   CA   _C24    79     1.39540   119.95516  -150.03266
   54    53 S   HA   _H22    80     1.08838   119.12799    -0.00000
   55    48 S   CA   _C9_    43     1.39485   120.07078   -89.95487
   56    55 S   HA   _H10    44     1.08635   120.48286    -0.01978
   57    49 S   CT   _C4_    57     1.49232   113.61793   179.92087
   58    57 S   HC   _H4_    58     1.10204   112.44153    90.03721
   59    57 S   HC   _H5_    59     1.10201   112.43505  -151.30869
   60    57 S   HC   _H6_    60     1.10169   115.34720   -30.67051
   61    51 S   CA   _C17    67     1.39594   120.00449   179.97202
   62    61 S   HA   _H17    68     1.08789   118.73172   179.96574
   63    55 S   CA   _C10    45     1.39460   119.98368   180.00000
   64    63 S   HA   _H11    46     1.08604   119.94675   179.96574
   65    61 S   CA   _C18    69     1.40437   120.67038    -0.07133
   66    63 S   CA   _C11    47     1.39468   120.03321    -0.05234
   67    66 S   HA   _H12    48     1.08579   119.98014   179.90721
   68    65 S   CA   _C19    70     1.40470   121.41615   179.97202
   69    68 S   HA   _H18    71     1.08751   120.46653     0.07913
   70    66 S   CA   _C12    49     1.39485   119.98314     0.04846
   71    70 S   HA   _H13    50     1.08579   120.02557   179.87805
   72    68 S   CA   _C20    72     1.39508   120.66654   179.96574
   73    72 S   HA   _H19    73     1.08570   119.98242   179.95154
   74    48 S   CA   _C13    51     1.39507   119.91217    90.04225
   75    74 S   HA   _H14    52     1.08663   120.54209    -0.02798
   76    72 S   CA   _C21    74     1.39155   120.03544     0.10468
   77    76 S   HA   _H20    75     1.08677   120.02856  -180.00000
   78    76 S   CA   _C22    76     1.39521   120.06998    -0.11703
   79    78 S   HA   _H21    77     1.08806   118.79971   180.00000
   80    65 S   CA   _C23    78     1.41546   119.29325     0.03426
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   2   1   1  16   9   5   1   9  12   5   4   8   3   9   9
   5   4   8   4   8   3   8   4   3   2   1   1   7   3   6   3
   8   5   3   7   4   3   2   6   3   1   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    39    40    41    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    48    45    46    49    39    40    41    47    51    53  
   35    36  
   36  
    0  
   38    42    43    44    48    55    74    45    46    49    50    57    39    40    41    47  
   42    43    44    48    45    46    49    39    41  
   40    41    47    42    45  
   41  
   47    51    52    61    80    53    54    42    45  
   43    44    48    55    56    63    70    74    75    45    46    49  
   44    48    55    74    45  
   48    55    74    45  
   46    49    50    57    58    59    60    48  
   49    50    57  
   51    52    61    62    65    78    80    53    54  
   55    56    63    64    66    70    71    74    75  
   50    57    58    59    60  
   57    58    59    60  
   52    61    62    65    68    80    53    54  
   61    62    65    53  
   54    61    65    68    76    78    79    80  
   65    78    80  
   56    63    64    66    67    70    74    75  
   63    64    66    74  
   58    59    60  
   59    60  
   60  
    0  
   62    65    68    69    72    78    80  
   65    68    80  
   64    66    67    70    71    74  
   66    67    70  
   68    69    72    73    76    78    79    80  
   67    70    71    74    75  
   70    71    74  
   69    72    73    76    77    78    80  
   72    73    76    80  
   71    74    75  
   74    75  
   73    76    77    78    79    80  
   76    77    78  
   75  
    0  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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    39   380.000  1.407
   33    41   320.000  1.380
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   337.000  1.449
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.510
   48    55   469.000  1.400
   48    74   469.000  1.400
   55    56   367.000  1.080
   55    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   45    46   434.000  1.010
   45    49   490.000  1.335
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    40   553.000  0.945
   41    47   450.000  1.364
   47    51   469.000  1.400
   47    53   469.000  1.400
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    68   469.000  1.400
   65    80   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    53   469.000  1.400
   53    54   367.000  1.080
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    39    85.00000  114.68000
   29    33    41    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    42    75.00000  109.43000
   33    37    45    70.00000  110.72300
   33    39    40    70.00000  107.92000
   33    41    47   100.00000  112.36700
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    70.00000  112.17500
   37    45    46    38.00000  118.40000
   37    45    49    50.00000  121.90000
   42    37    38    37.50000  110.70000
   42    48    55    70.00000  120.00000
   42    48    74    70.00000  120.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    55    56    35.00000  120.00000
   48    55    63    63.00000  120.00000
   48    74    70    63.00000  120.00000
   48    74    75    35.00000  120.00000
   55    63    64    35.00000  120.00000
   55    63    66    63.00000  120.00000
   63    55    56    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    74    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    74    75    35.00000  120.00000
   74    48    55    63.00000  120.00000
   74    70    71    35.00000  120.00000
   45    37    38    35.00000  109.50000
   45    37    42    70.00000  110.72300
   45    49    50    80.00000  122.90000
   45    49    57    70.00000  116.60000
   49    45    46    35.00000  119.80000
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   49    57    60    35.00000  109.50000
   57    49    50    80.00000  120.40000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    37    90.00000  110.19100
   41    33    37    90.00000  108.56700
   41    33    39   110.00000  112.08000
   41    47    51    70.00000  120.00000
   41    47    53    70.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    61    63.00000  120.00000
   47    53    80    63.00000  120.00000
   47    53    54    35.00000  120.00000
   51    61    62    35.00000  120.00000
   51    61    65    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    65    68    63.00000  120.00000
   61    65    80    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   65    80    78    63.00000  120.00000
   65    80    53    63.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    76    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    76    77    35.00000  120.00000
   72    76    78    63.00000  120.00000
   76    72    73    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    53    63.00000  120.00000
   80    65    68    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    53    54    35.00000  120.00000
   53    47    51    63.00000  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    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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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
   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    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   29    33    41    47   0.14700  1.0 1.0
   29    33    41    47  -1.16150 -1.0 2.0
   29    33    41    47   0.48700  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37    42    48  -0.03700  1.0 1.0
   33    37    42    48   0.37200 -1.0 2.0
   33    37    42    48  -0.47300  1.0 3.0
   33    37    45    46   0.00000  1.0 1.0
   33    37    45    49  -0.43950  1.0 1.0
   33    37    45    49  -0.08100 -1.0 2.0
   33    37    45    49   0.03350  1.0 3.0
   33    41    47    51   1.63200 -1.0 2.0
   33    41    47    53   1.63200 -1.0 2.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    33    41    47  -0.32850  1.0 1.0
   37    33    41    47  -0.35800 -1.0 2.0
   37    33    41    47   0.33950  1.0 3.0
   37    42    48    55   0.04150 -1.0 2.0
   37    42    48    74   0.04150 -1.0 2.0
   37    45    49    50   3.04450 -1.0 2.0
   37    45    49    57   1.49850  1.0 1.0
   37    45    49    57   1.53950 -1.0 2.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    48   0.43200  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   42    37    45    46   0.00000  1.0 1.0
   42    37    45    49  -0.43950  1.0 1.0
   42    37    45    49  -0.08100 -1.0 2.0
   42    37    45    49   0.03350  1.0 3.0
   42    48    55    56   3.62500 -1.0 2.0
   42    48    55    63   3.62500 -1.0 2.0
   42    48    74    70   3.62500 -1.0 2.0
   42    48    74    75   3.62500 -1.0 2.0
   43    42    48    55   0.00000  1.0 1.0
   43    42    48    74   0.00000  1.0 1.0
   44    42    48    55   0.00000  1.0 1.0
   44    42    48    74   0.00000  1.0 1.0
   48    55    63    64   3.62500 -1.0 2.0
   48    55    63    66   3.62500 -1.0 2.0
   55    48    74    70   3.62500 -1.0 2.0
   55    48    74    75   3.62500 -1.0 2.0
   55    63    66    67   3.62500 -1.0 2.0
   55    63   -66    70   3.62500 -1.0 2.0
   56    55    63    64   3.62500 -1.0 2.0
   56    55    63    66   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    74   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   64    63    66    70   3.62500 -1.0 2.0
   66    70   -74    48   3.62500 -1.0 2.0
   66    70    74    75   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    74   3.62500 -1.0 2.0
   71    70    74    48   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   74    48    55    56   3.62500 -1.0 2.0
   74    48   -55    63   3.62500 -1.0 2.0
   45    37    42    43   0.15000  1.0 3.0
   45    37    42    44   0.15000  1.0 3.0
   45    37    42    48   0.08550  1.0 1.0
   45    37    42    48   1.07500 -1.0 2.0
   45    37    42    48  -0.10950  1.0 3.0
   45    49    57    58   0.00000  1.0 1.0
   45    49    57    59   0.00000  1.0 1.0
   45    49    57    60   0.00000  1.0 1.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    57   2.45000 -1.0 2.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    59   0.00000  1.0 1.0
   50    49    57    60   0.00000  1.0 1.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    42   0.86500  1.0 1.0
   39    33    37    42  -0.17500 -1.0 2.0
   39    33    37    42   0.20800  1.0 3.0
   39    33    37    45   2.76900  1.0 1.0
   39    33    37    45  -0.24350 -1.0 2.0
   39    33    37    45  -0.78250  1.0 3.0
   39    33    41    47  -0.25600  1.0 1.0
   39    33    41    47  -0.40050 -1.0 2.0
   39    33    41    47   0.34700  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    42   0.62750  1.0 1.0
   41    33    37    42  -0.30950 -1.0 2.0
   41    33    37    42   0.27300  1.0 3.0
   41    33    37    45   1.12100  1.0 1.0
   41    33    37    45  -0.16500 -1.0 2.0
   41    33    39    40  -0.50000  1.0 1.0
   41    33    39    40  -0.73950 -1.0 2.0
   41    33    39    40   0.17150  1.0 3.0
   41    47    51    52   3.62500 -1.0 2.0
   41    47    51    61   3.62500 -1.0 2.0
   41    47    53    80   3.62500 -1.0 2.0
   41    47    53    54   3.62500 -1.0 2.0
   47    51    61    62   3.62500 -1.0 2.0
   47    51    61    65   3.62500 -1.0 2.0
   51    47    53    80   3.62500 -1.0 2.0
   51    47    53    54   3.62500 -1.0 2.0
   51    61    65    68   3.62500 -1.0 2.0
   51    61   -65    80   3.62500 -1.0 2.0
   52    51    61    62   3.62500 -1.0 2.0
   52    51    61    65   3.62500 -1.0 2.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65    68    72   3.62500 -1.0 2.0
   61    65    80    78   3.62500 -1.0 2.0
   61    65    80    53   3.62500 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   62    61    65    80   3.62500 -1.0 2.0
   65    68    72    73   3.62500 -1.0 2.0
   65    68    72    76   3.62500 -1.0 2.0
   65    80   -53    47   3.62500 -1.0 2.0
   65    80    53    54   3.62500 -1.0 2.0
   68    65    80    78   3.62500 -1.0 2.0
   68    65    80    53   3.62500 -1.0 2.0
   68    72    76    77   3.62500 -1.0 2.0
   68    72   -76    78   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    76   3.62500 -1.0 2.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76    78    80   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    78   -80    65   3.62500 -1.0 2.0
   76    78    80    53   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80    53    47   3.62500 -1.0 2.0
   78    80    53    54   3.62500 -1.0 2.0
   79    78    80    65   3.62500 -1.0 2.0
   79    78    80    53   3.62500 -1.0 2.0
   80    65    68    69   3.62500 -1.0 2.0
   80    65   -68    72   3.62500 -1.0 2.0
   53    47    51    52   3.62500 -1.0 2.0
   53    47   -51    61   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   55    74    48    42   4.00000 -1.0 2.0
   63    56    55    48   1.10000 -1.0 2.0
   66    64    63    55   1.10000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   74    71    70    66   1.10000 -1.0 2.0
   70    75    74    48   1.10000 -1.0 2.0
   46    49    45    37   1.00000 -1.0 2.0
   45    57    49    50  10.50000 -1.0 2.0
   51    53    47    41   4.00000 -1.0 2.0
   61    52    51    47   1.10000 -1.0 2.0
   65    62    61    51   1.10000 -1.0 2.0
   68    80    65    61   4.00000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   76    73    72    68   1.10000 -1.0 2.0
   78    77    76    72   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    53    80    65   4.00000 -1.0 2.0
   80    54    53    47   1.10000 -1.0 2.0
END
