* LIGAND DATABASE FILE (OPLS2005)
*
001      62    64    110    178     321
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02097    78.46056   -85.89234
    3     1 S   H    _H1_     3     1.02070    99.72773    21.35257
    4     1 S   H    _H2_     4     1.02089    36.97687   129.64896
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C11    36     1.82017    98.21169   161.81343
   34    33 S   HC   _H3_    37     1.09504   109.46033   -37.34332
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C10    38     1.49819   110.63961  -160.01394
   39    38 S   CM   _C9_    39     1.34941   122.62450   -99.56621
   40    38 S   CO3  _C14    60     1.52918   114.07017    81.68327
   41    40 S   O2Z  _O37    61     1.25459   114.35711   -91.27067
   42    40 S   O2Z  _O36    62     1.25504   114.34251    88.73618
   43    39 S   CM   _C8_    40     1.49463   118.51433    -4.12032
   44    43 S   CMA  _C7_    41     1.37107   124.18978   169.96705
   45    44 S   OM   _O40    42     1.26717   128.57528   179.56165
   46    43 S   NI   _N4_    55     1.38501   118.27637   -14.56325
   47    44 S   CO4  _C6_    43     1.53495   119.12820     0.79303
   48    47 S   O    _O33    44     1.22910   122.73265  -174.50927
   49    33 S   CD   _C12    56     1.49472   107.83448    80.50757
   50    47 S   C5BC _C5_    45     1.47144   116.98144     6.36267
   51    49 S   CO3  _C13    57     1.48470   120.00909   -78.19739
   52    51 S   O2Z  _O35    58     1.27559   116.26649   -30.00361
   53    51 S   O2Z  _O34    59     1.27578   116.25263   150.00179
   54    50 S   C5BC _C4_    46     1.33688   127.94948   175.43383
   55    54 S   HA   _H4_    47     1.07416   130.52837    -4.83716
   56    54 S   C5A  _C16    48     1.47333   101.59258   178.47274
   57    56 S   NA   _N5_    49     1.28687   113.10013    -0.17471
   58    57 S   H    _H5_    50     1.01830   127.12590  -179.82529
   59    56 S   CO3  _C17    52     1.46919   123.03828  -179.69739
   60    59 S   O2Z  _O39    53     1.28247   116.91759    -0.09279
   61    59 S   O2Z  _O38    54     1.28270   116.86117   179.90309
   62    39 S   C5A  _C15    51     1.44403   125.93771   173.90825
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12  15   5   1   1  10   8   4   6   7   3
   3   7   2   1   1   8   4   6   5   2   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    51    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    62    46    49    51    52    53    40    41    42  
   38    39    46    49    51    40  
   36    37  
   37  
    0  
   39    43    44    50    57    62    46    49    51    40    41    42  
   43    44    45    47    50    54    56    57    58    62    46    49    40    41    42  
   41    42    43    49    62  
   42  
    0  
   44    45    47    48    50    57    62    46    49    51  
   45    47    48    50    54    62    46    49  
   47    48    50    46  
   49    51    52    53    47    62  
   48    50    54    55    56    57    62  
   50    54    62  
   51    52    53  
   54    55    56    57    58    62    59  
   52    53  
   53  
    0  
   55    56    57    58    62    59    60    61  
   56    57    62    59  
   57    58    62    59    60    61  
   58    62    59    60    61  
   62    59  
   60    61    62  
   61  
    0  
    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   0.143600   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   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   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   58   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.008000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    49   270.000  1.508
   38    39   549.000  1.340
   38    40   230.000  1.545
   39    43   380.000  1.444
   39    62   375.000  1.423
   43    44   465.000  1.376
   43    46   405.000  1.380
   44    45   745.000  1.250
   44    47   270.000  1.476
   47    48   570.000  1.229
   47    50   320.000  1.468
   50    54   469.000  1.424
   50    62   546.000  1.367
   54    55   367.000  1.080
   54    56   546.000  1.367
   56    57   427.000  1.381
   56    59   325.000  1.466
   57    58   434.000  1.010
   57    62   427.000  1.381
   59    60   656.000  1.250
   59    61   656.000  1.250
   46    49   500.000  1.261
   49    51   270.000  1.486
   51    52   656.000  1.250
   51    53   656.000  1.250
   40    41   656.000  1.250
   40    42   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  114.43000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.04000
   33    49    46    65.00000  122.10100
   33    49    51    60.00000  116.68000
   38    33    34    35.00000  109.50000
   38    39    43    70.00000  123.01800
   38    39    62    55.00000  128.24000
   38    40    41    85.00000  113.83300
   38    40    42    85.00000  113.83300
   39    43    44    70.00000  117.34000
   39    43    46    70.00000  120.83400
   39    62    50    50.00000  133.16000
   39    62    57    70.00000  120.38000
   43    44    45    65.00000  137.10300
   43    44    47    65.00000  114.61000
   43    46    49    75.00000  115.77100
   44    47    48    80.00000  120.81000
   44    47    50    60.00000  117.44000
   47    44    45    85.00000  116.28000
   47    50    54    50.00000  131.05000
   47    50    62    60.00000  121.69000
   50    47    48    80.00000  122.10000
   50    54    55    35.00000  127.50000
   50    54    56    70.00000  107.30000
   50    62    57    70.00000  107.70000
   54    56    57    70.00000  107.70000
   54    56    59    55.00000  130.80000
   56    54    55    35.00000  125.70000
   56    57    58    35.00000  120.00000
   56    57    62    70.00000  109.80000
   56    59    60    80.00000  120.87000
   56    59    61    80.00000  120.87000
   62    39    43    55.00000  128.24000
   62    50    54    70.00000  107.30000
   62    57    58    35.00000  120.00000
   59    56    57    70.00000  119.02500
   61    59    60    80.00000  126.00000
   46    43    44    70.00000  120.83400
   46    49    51    65.00000  123.79500
   49    33    34    45.00000  109.49600
   49    33    38    70.00000  110.51600
   49    51    52    85.00000  113.83300
   49    51    53    85.00000  113.83300
   53    51    52    80.00000  126.00000
   40    38    39    55.00000  124.75400
   42    40    41    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    49    46   0.00000  1.0 1.0
   29    33    49    51   0.00000  1.0 1.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    62   7.00000 -1.0 2.0
   33    38    40    41  -0.64400  1.0 1.0
   33    38    40    41   0.26850 -1.0 2.0
   33    38    40    42  -0.64400  1.0 1.0
   33    38    40    42   0.26850 -1.0 2.0
   33    49    51    52   1.00000 -1.0 2.0
   33    49    51    53   1.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    49    46   0.00000  1.0 1.0
   34    33    49    51   0.00000  1.0 1.0
   38    33    49    46   0.00000  1.0 1.0
   38    33    49    51   0.00000  1.0 1.0
   38    39    43    44   0.28850  1.0 1.0
   38    39    43    44   2.61350 -1.0 2.0
   38    39    43    44   0.78400  1.0 3.0
   38    39   -43    46  -0.18600  1.0 3.0
   38    39    62    50   0.15800  1.0 1.0
   38    39    62    50   1.85350 -1.0 2.0
   38    39    62    50  -0.48700  1.0 3.0
   38    39    62    57   0.11450  1.0 1.0
   38    39    62    57   1.85100 -1.0 2.0
   38    39    62    57  -0.49050  1.0 3.0
   39    38    40    41  -0.04000 -1.0 2.0
   39    38    40    41  -0.29050  1.0 3.0
   39    38    40    42  -0.04000 -1.0 2.0
   39    38    40    42  -0.29050  1.0 3.0
   39    43    44    45   7.00000 -1.0 2.0
   39    43    44    47   7.00000 -1.0 2.0
   39    43    46    49   1.00000 -1.0 2.0
   43    39    62    50   0.15800  1.0 1.0
   43    39    62    50   1.85350 -1.0 2.0
   43    39    62    50  -0.48700  1.0 3.0
   43    39    62    57   0.11450  1.0 1.0
   43    39    62    57   1.85100 -1.0 2.0
   43    39    62    57  -0.49050  1.0 3.0
   43    44    47    48   1.00000 -1.0 2.0
   43    44   -47    50  -1.65800  1.0 1.0
   43    44   -47    50   0.77650 -1.0 2.0
   43    46   -49    33   6.00000 -1.0 2.0
   43    46    49    51   6.00000 -1.0 2.0
   44    43    46    49   1.00000 -1.0 2.0
   44    47    50    54  -0.11500  1.0 1.0
   44    47    50    54   1.10450 -1.0 2.0
   44    47    50    54  -0.48050  1.0 3.0
   44    47    50    62  -0.11500  1.0 1.0
   44    47    50    62   1.10450 -1.0 2.0
   44    47    50    62  -0.48050  1.0 3.0
   45    44    47    48  -0.11900  1.0 1.0
   45    44    47    48   0.76850 -1.0 2.0
   45    44    47    48   0.14100  1.0 3.0
   45    44    47    50   1.50000 -1.0 2.0
   47    50    54    55   3.62500 -1.0 2.0
   47    50    54    56   3.62500 -1.0 2.0
   47    50   -62    39   3.62500 -1.0 2.0
   47    50    62    57   3.62500 -1.0 2.0
   48    47    50    54   1.05000 -1.0 2.0
   48    47    50    62   1.05000 -1.0 2.0
   50    54   -56    57   3.62500 -1.0 2.0
   50    54    56    59   3.62500 -1.0 2.0
   54    50    62    39   3.62500 -1.0 2.0
   54    50   -62    57   3.62500 -1.0 2.0
   54    56    57    58   2.00000 -1.0 2.0
   54    56   -57    62   3.62500 -1.0 2.0
   54    56    59    60   1.05000 -1.0 2.0
   54    56    59    61   1.05000 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57    62    39   3.62500 -1.0 2.0
   56    57   -62    50   3.62500 -1.0 2.0
   57    56    59    60   1.85000 -1.0 2.0
   57    56    59    61   1.85000 -1.0 2.0
   58    57    62    39   2.00000 -1.0 2.0
   58    57    62    50   2.00000 -1.0 2.0
   62    39   -43    44  -0.18600  1.0 3.0
   62    39    43    46   1.08500 -1.0 2.0
   62    50    54    55   3.62500 -1.0 2.0
   62    50   -54    56   3.62500 -1.0 2.0
   59    56    57    58   2.00000 -1.0 2.0
   59    56    57    62   3.62500 -1.0 2.0
   46    43    44    45   7.00000 -1.0 2.0
   46    43    44    47   7.00000 -1.0 2.0
   46    49    51    52   1.00000 -1.0 2.0
   46    49    51    53   1.00000 -1.0 2.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    40   0.09700  1.0 1.0
   49    33    38    40   0.15600 -1.0 2.0
   49    33    38    40  -0.50800  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    62   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    62    39    38   1.10000 -1.0 2.0
   39    46    43    44   1.10000 -1.0 2.0
   47    45    44    43   1.10000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   54    62    50    47   4.00000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
   59    57    56    54   4.00000 -1.0 2.0
   58    56    57    62   1.00000 -1.0 2.0
   50    57    62    39   4.00000 -1.0 2.0
   60    56    59    61  10.50000 -1.0 2.0
   33    51    49    46  10.50000 -1.0 2.0
   52    49    51    53  10.50000 -1.0 2.0
   41    38    40    42  10.50000 -1.0 2.0
END
