* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    113    183     338
    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   CT   _C12    36     1.86604   100.02545   159.98376
   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   CA   _C13    37     1.53294   111.45364   160.01362
   38    33 S   CM   _C11    50     1.53347   106.46845   -79.55435
   39    38 S   HC   _H7_    51     1.09441   113.21981   -31.58594
   40    33 S   OH   _O35    66     1.42853   108.14396    38.69917
   41    40 S   HO   _H13    67     0.97237   106.87822    62.02662
   42    37 S   CA   _C14    38     1.39426   119.24447    88.08777
   43    42 S   HA   _H8_    39     1.08746   120.59913     0.03426
   44    38 S   CMA  _C10    52     1.35867   128.96444   148.86705
   45    44 S   OM   _O36    53     1.26438   130.69866  -179.48871
   46    42 S   CA   _C15    40     1.39519   119.98100  -179.98022
   47    46 S   HA   _H9_    41     1.08705   119.66513  -180.00000
   48    44 S   CA   _C9_    54     1.49499   110.29009     0.00000
   49    46 S   CA   _C16    42     1.39478   119.98757     0.00000
   50    48 S   CA   _C4_    55     1.39521   120.02559    89.93839
   51    50 S   HA   _H3_    56     1.08761   120.80123     0.09891
   52    49 S   CA   _C17    43     1.39426   120.03144    -0.02798
   53    52 S   HA   _H10    44     1.08637   120.00490  -179.95577
   54    49 S   OH   _O34    48     1.36118   119.96531  -180.00000
   55    54 S   HO   _H12    49     0.97023   110.27888   179.97202
   56    50 S   CA   _C5_    57     1.39424   120.02523   180.00000
   57    56 S   HA   _H4_    58     1.08676   119.66640   179.98022
   58    37 S   CA   _C18    45     1.39478   120.72404   -91.87830
   59    56 S   CA   _C6_    59     1.39547   119.98421     0.07662
   60    58 S   OH   _O33    46     1.36305   120.73184    -0.03426
   61    60 S   HO   _H11    47     0.96999   110.14354   180.00000
   62    59 S   CA   _C7_    60     1.39410   120.01320    -0.04423
   63    62 S   HA   _H5_    61     1.08668   120.33862   180.00000
   64    59 S   OH   _O37    64     1.36090   119.95380   179.94766
   65    64 S   HO   _H14    65     0.97061   110.26354  -179.98022
   66    48 S   CA   _C8_    62     1.39547   119.98386   -90.00133
   67    66 S   HA   _H6_    63     1.08722   120.87409     0.00000
  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
  14   2   1   1  15  10   4   4   1   8   4   8   3   7   3   9
   6   8   4   6   3   2   1   7   3   2   6   1   1   5   3   2
   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    58    38    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    52    58    60    38    39    44    45    48    40    41  
   35    36  
   36  
    0  
   42    43    46    47    49    52    53    58    60    61    38    39    44    40    41  
   39    44    45    48    50    66    40    41    42    58  
   44    45    48    40  
   41    42    44    58  
    0  
   43    46    47    49    52    58    60    54  
   46    47    49    58  
   45    48    50    51    56    62    66    67  
   48    50    66  
   47    49    52    53    58    54    55  
   49    52    54  
   50    51    56    57    59    62    63    66    67  
   52    53    58    60    54    55  
   51    56    57    59    62    66    67    64  
   56    57    59    66  
   53    58    60    61    54    55  
   58    60    54  
   55    58  
    0  
   57    59    62    63    66    64    65  
   59    62    64  
   60    61  
   62    63    66    67    64    65  
   61  
    0  
   63    66    67    64    65  
   66    67    64  
   65    66  
    0  
   67  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.547500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.510
   33    40   320.000  1.410
   37    42   469.000  1.400
   37    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    60   450.000  1.364
   60    61   553.000  0.945
   54    55   553.000  0.945
   38    39   340.000  1.080
   38    44   465.000  1.376
   44    45   745.000  1.250
   44    48   320.000  1.460
   48    50   469.000  1.400
   48    66   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    62   469.000  1.400
   59    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   64    65   553.000  0.945
   40    41   553.000  0.945
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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   33    40    41    55.00000  108.50000
   37    42    43    35.00000  120.00000
   37    42    46    63.00000  120.00000
   37    58    52    63.00000  120.00000
   37    58    60    70.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    58    60    70.00000  120.00000
   58    37    42    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    60    61    35.00000  113.00000
   54    49    52    70.00000  120.00000
   38    33    37    70.00000  112.99600
   38    44    45    65.00000  137.10300
   38    44    48    60.00000  123.20500
   44    38    39    40.00000  120.50800
   44    48    50    60.00000  120.93500
   44    48    66    60.00000  120.93500
   48    44    45    85.00000  114.86500
   48    50    51    35.00000  120.00000
   48    50    56    63.00000  120.00000
   48    66    62    63.00000  120.00000
   48    66    67    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    59    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    59    62    63.00000  120.00000
   56    59    64    70.00000  120.00000
   59    56    57    35.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    66    63.00000  120.00000
   59    64    65    35.00000  113.00000
   62    66    67    35.00000  120.00000
   66    48    50    63.00000  120.00000
   66    62    63    35.00000  120.00000
   64    59    62    70.00000  120.00000
   40    33    37    90.00000  112.51600
   40    33    38    90.00000  110.39200
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   3.62500 -1.0 2.0
   33    37    42    46   3.62500 -1.0 2.0
   33    37    58    52   3.62500 -1.0 2.0
   33    37    58    60   3.62500 -1.0 2.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    48   7.00000 -1.0 2.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44   1.44450  1.0 1.0
   37    33    38    44   0.06600 -1.0 2.0
   37    33    38    44   0.29250  1.0 3.0
   37    33    40    41   0.31900  1.0 1.0
   37    33    40    41  -0.11800 -1.0 2.0
   37    33    40    41   0.38750  1.0 3.0
   37    42    46    47   3.62500 -1.0 2.0
   37    42    46    49   3.62500 -1.0 2.0
   37    58    60    61   0.84100 -1.0 2.0
   42    37    58    52   3.62500 -1.0 2.0
   42    37    58    60   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    58   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -58    37   3.62500 -1.0 2.0
   49    52    58    60   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   52    58    60    61   0.84100 -1.0 2.0
   53    52    58    37   3.62500 -1.0 2.0
   53    52    58    60   3.62500 -1.0 2.0
   58    37    42    43   3.62500 -1.0 2.0
   58    37   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    58   3.62500 -1.0 2.0
   38    33    37    42   0.18050 -1.0 2.0
   38    33    37    58   0.18050 -1.0 2.0
   38    33    40    41  -0.07800  1.0 1.0
   38    33    40    41  -0.21500 -1.0 2.0
   38    33    40    41  -0.03150  1.0 3.0
   38    44    48    50   0.15800  1.0 1.0
   38    44    48    50   1.85350 -1.0 2.0
   38    44    48    50  -0.48700  1.0 3.0
   38    44    48    66   0.15800  1.0 1.0
   38    44    48    66   1.85350 -1.0 2.0
   38    44    48    66  -0.48700  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    48   7.00000 -1.0 2.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48    50    56   3.62500 -1.0 2.0
   44    48    66    62   3.62500 -1.0 2.0
   44    48    66    67   3.62500 -1.0 2.0
   45    44    48    50  -0.01750  1.0 1.0
   45    44    48    50  -0.32000 -1.0 2.0
   45    44    48    50   0.00600  1.0 3.0
   45    44    48    66  -0.01750  1.0 1.0
   45    44    48    66  -0.32000 -1.0 2.0
   45    44    48    66   0.00600  1.0 3.0
   48    50    56    57   3.62500 -1.0 2.0
   48    50    56    59   3.62500 -1.0 2.0
   50    48    66    62   3.62500 -1.0 2.0
   50    48    66    67   3.62500 -1.0 2.0
   50    56   -59    62   3.62500 -1.0 2.0
   50    56    59    64   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    59   3.62500 -1.0 2.0
   56    59    62    63   3.62500 -1.0 2.0
   56    59    62    66   3.62500 -1.0 2.0
   56    59    64    65   0.84100 -1.0 2.0
   57    56    59    62   3.62500 -1.0 2.0
   57    56    59    64   3.62500 -1.0 2.0
   59    62   -66    48   3.62500 -1.0 2.0
   59    62    66    67   3.62500 -1.0 2.0
   62    59    64    65   0.84100 -1.0 2.0
   63    62    66    48   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   66    48    50    51   3.62500 -1.0 2.0
   66    48   -50    56   3.62500 -1.0 2.0
   64    59    62    63   3.62500 -1.0 2.0
   64    59    62    66   3.62500 -1.0 2.0
   40    33    37    42   0.14300 -1.0 2.0
   40    33    37    42   0.00300  1.0 3.0
   40    33    37    58   0.14300 -1.0 2.0
   40    33    37    58   0.00300  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    44   0.67800  1.0 1.0
   40    33    38    44   0.47050 -1.0 2.0
   40    33    38    44  -0.62500  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
   42    58    37    33   4.00000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   58    53    52    49   1.10000 -1.0 2.0
   52    60    58    37   4.00000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   48    45    44    38  15.00000 -1.0 2.0
   50    66    48    44   4.00000 -1.0 2.0
   56    51    50    48   1.10000 -1.0 2.0
   59    57    56    50   1.10000 -1.0 2.0
   62    64    59    56   4.00000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   62    67    66    48   1.10000 -1.0 2.0
END
