* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    113    171     334
    1     0 S   NP   _N1_     1    29.25006    97.08816   -20.79079
    2     1 S   H    _HN1     2     1.02828    47.72565   157.88636
    3     1 S   H    _H1_     3     1.02787    93.05302   -90.55430
    4     1 S   H    _H2_     4     1.02945    69.38082    17.98118
    5     1 S   CT   _CA1     5     1.50130   152.36877   112.83741
    6     5 S   HC   _HA1     6     1.09570   105.14146    93.28362
    7     5 S   CO3  _C1_     7     1.53743   112.57935   -26.86991
    8     7 S   O2Z  _O11     8     1.26386   114.97533   -38.67859
    9     7 S   O2Z  _O12     9     1.26239   115.01043   140.51963
   10     5 S   CT   _CB1    10     1.53094   107.41936  -148.66666
   11    10 S   HC   HB11    11     1.09831   109.29937   -48.61632
   12    10 S   HC   HB12    12     1.09811   110.49345    68.02984
   13    10 S   CT   _CG1    13     1.52970   112.62335  -169.56425
   14    13 S   HC   HG11    14     1.09480   110.69257   -68.09394
   15    13 S   HC   HG12    15     1.09681   109.70173    51.04480
   16    13 S   C    _CD1    16     1.51812   112.24170   171.38986
   17    16 S   O    _OE1    17     1.22714   123.30250     9.61944
   18    16 S   N    _N2_    18     1.38596   111.61327  -170.25422
   19    18 S   H    _HN2    19     1.01587   118.81090     0.22294
   20    18 S   CT1  _CA2    20     1.46233   123.55716   174.88056
   21    20 S   HC   _HA2    21     1.09733   109.49408     0.67289
   22    20 S   C    _C2_    22     1.53569   108.15566  -114.56835
   23    22 S   O    _O2_    23     1.23038   122.39359  -146.81882
   24    20 S   CT   _CB2    32     1.53165   111.39998   123.13160
   25    24 S   HC   HB21    33     1.09526   110.07682    53.50726
   26    24 S   HC   HB22    34     1.09510   110.72006   171.83355
   27    22 S   N    _N3_    24     1.38366   113.57663    40.60333
   28    27 S   H    _HN3    25     1.01588   119.55817    -3.23483
   29    24 S   S    _SG2    35     1.82863   111.38745   -69.66573
   30    27 S   CT   _CA3    26     1.45279   123.25865   177.20768
   31    30 S   HC   HA31    27     1.09547   107.51485   -64.68601
   32    30 S   HC   HA32    28     1.09555   107.99040    51.76684
   33    29 S   CT   _C9_    36     1.85240   100.00226   136.03166
   34    33 S   HC   _H4_    37     1.09670   105.74742    38.82930
   35    30 S   CO3  _C3_    29     1.52968   114.04123   173.76445
   36    35 S   O2Z  _O31    30     1.26381   116.06202    -0.47271
   37    35 S   O2Z  _O32    31     1.26422   114.42299   179.58363
   38    33 S   CT   _C8_    38     1.54167   109.93488   -79.45859
   39    38 S   HC   _H10    39     1.09713   108.03919   169.12442
   40    38 S   HC   _H11    40     1.09725   110.20122    54.16436
   41    38 S   CT   _C7_    41     1.55025   113.38701   -69.27035
   42    41 S   HC   _H3_    42     1.09855   106.79339    62.73593
   43    41 S   CT   _C12    43     1.53619   110.48590   -54.18180
   44    43 S   HC   _H12    44     1.09583   111.44117   -70.98749
   45    43 S   HC   _H13    45     1.09612   110.45558   169.87546
   46    41 S   CM   _C5_    55     1.52906   114.96898   179.69804
   47    43 S   CO4  _C11    46     1.51605   111.79092    50.43979
   48    47 S   O    _O33    47     1.23150   121.08344   132.57439
   49    46 S   CM   _C6_    56     1.34371   124.94243    12.09214
   50    49 S   HC   _H8_    57     1.08616   121.02767  -178.71519
   51    49 S   HC   _H9_    58     1.08305   122.85333     1.19436
   52    46 S   CT   _C4_    59     1.50881   115.72619  -165.93161
   53    52 S   HC   _H5_    60     1.09392   110.81819   -66.83680
   54    52 S   HC   _H6_    61     1.09482   110.33805    53.55643
   55    52 S   HC   _H7_    62     1.09518   112.17264   173.36144
   56    33 S   CT   _C10    48     1.54635   111.57553   156.17126
   57    56 S   CT   _C13    49     1.53423   111.90187  -166.11038
   58    57 S   HC   _H14    50     1.09598   110.68136    60.90342
   59    57 S   HC   _H15    51     1.09340   113.12136   -60.95001
   60    57 S   HC   _H16    52     1.09683   110.59183   178.64520
   61    56 S   OH   _O34    53     1.42534   109.75107   -48.49770
   62    61 S   HO   _H17    54     0.97312   107.90301   174.75297
  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  10   5   4   3
  17   8   2   1   1  14   6   5  15   7  10   5   4   8   8   3
   6   2   1   3   2   1   1   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    56    57    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    56    57    58    59    60    61    62    46  
   38    39    40    41    47    56    57    61  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    56    57    61    46    49    52  
   40    41    42    43    56    46  
   41    42    43    56    46  
   42    43    44    45    47    48    56    46    49    50    51    52    53    54    55  
   43    44    45    47    46    49    52  
   44    45    47    48    56    57    61    46    49    52  
   45    47    48    56    46  
   47    48    56    46  
   49    50    51    52    53    54    55    47  
   48    56    57    58    59    60    61    62  
   56    57    61  
   50    51    52    53    54    55  
   51    52  
   52  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    61    62  
   58    59    60    61    62  
   59    60    61  
   60    61  
   61  
   62  
    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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   317.000  1.510
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   317.000  1.522
   47    48   570.000  1.229
   47    56   317.000  1.522
   56    57   268.000  1.529
   56    61   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   46    49   549.000  1.340
   46    52   317.000  1.510
   49    50   340.000  1.080
   49    51   340.000  1.080
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    47    63.00000  111.10000
   33    56    57    58.35000  112.70000
   33    56    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    63.00000  111.10000
   41    46    49    70.00000  124.00000
   41    46    52    65.00000  117.92700
   43    41    42    37.50000  110.70000
   43    47    48    80.00000  120.40000
   43    47    56    70.00000  116.00000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
   47    56    57    63.00000  111.10000
   47    56    61    90.00000  109.61100
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    47    48    80.00000  120.40000
   56    57    58    37.50000  110.70000
   56    57    59    37.50000  110.70000
   56    57    60    37.50000  110.70000
   56    61    62    55.00000  108.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    56    57    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    70.00000  112.02700
   46    49    50    35.00000  120.00000
   46    49    51    35.00000  120.00000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   51    49    50    35.00000  117.00000
   52    46    49    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    47   0.56750  1.0 1.0
   29    33    56    47  -0.07550 -1.0 2.0
   29    33    56    47   0.20000  1.0 3.0
   29    33    56    57   0.44750  1.0 1.0
   29    33    56    57  -0.17800 -1.0 2.0
   29    33    56    57   0.20200  1.0 3.0
   29    33    56    61   0.56750  1.0 1.0
   29    33    56    61  -0.07550 -1.0 2.0
   29    33    56    61   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.34400  1.0 1.0
   33    38    41    46   0.09450 -1.0 2.0
   33    38    41    46   0.11100  1.0 3.0
   33    56    57    58   0.15000  1.0 3.0
   33    56    57    59   0.15000  1.0 3.0
   33    56    57    60   0.15000  1.0 3.0
   33    56    61    62  -0.11600  1.0 1.0
   33    56    61    62  -0.09450 -1.0 2.0
   33    56    61    62   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    47  -0.11250  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    61   0.23400  1.0 3.0
   38    33    56    47  -0.95700  1.0 1.0
   38    33    56    47  -0.18200 -1.0 2.0
   38    33    56    47   0.29450  1.0 3.0
   38    33    56    57   0.56750  1.0 1.0
   38    33    56    57  -0.07550 -1.0 2.0
   38    33    56    57   0.20000  1.0 3.0
   38    33    56    61   0.86500  1.0 1.0
   38    33    56    61  -0.17500 -1.0 2.0
   38    33    56    61   0.20800  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47  -0.95700  1.0 1.0
   38    41   -43    47  -0.18200 -1.0 2.0
   38    41   -43    47   0.29450  1.0 3.0
   38    41    46    49   0.09850  1.0 1.0
   38    41    46    49   0.15250 -1.0 2.0
   38    41    46    49  -0.50650  1.0 3.0
   38    41    46    52   0.46850  1.0 1.0
   38    41    46    52   0.08550 -1.0 2.0
   38    41    46    52   0.09800  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    47    48   0.30150 -1.0 2.0
   41    43    47    56   0.60050  1.0 1.0
   41    43    47    56   0.05600 -1.0 2.0
   41    43    47    56   0.26150  1.0 3.0
   41    46    49    50   7.00000 -1.0 2.0
   41    46    49    51   7.00000 -1.0 2.0
   41    46    52    53   0.34800  1.0 3.0
   41    46    52    54   0.34800  1.0 3.0
   41    46    52    55   0.34800  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47  -0.11250  1.0 3.0
   42    41    46    49   0.00000  1.0 1.0
   42    41    46    52   0.34800  1.0 3.0
   43    41    46    49   0.09850  1.0 1.0
   43    41    46    49   0.15250 -1.0 2.0
   43    41    46    49  -0.50650  1.0 3.0
   43    41    46    52   0.46850  1.0 1.0
   43    41    46    52   0.08550 -1.0 2.0
   43    41    46    52   0.09800  1.0 3.0
   43    47   -56    33   0.60050  1.0 1.0
   43    47   -56    33   0.05600 -1.0 2.0
   43    47   -56    33   0.26150  1.0 3.0
   43    47    56    57   0.60050  1.0 1.0
   43    47    56    57   0.05600 -1.0 2.0
   43    47    56    57   0.26150  1.0 3.0
   43    47    56    61   0.55300  1.0 1.0
   43    47    56    61   1.25850 -1.0 2.0
   43    47    56    61  -0.23600  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    56   0.00000  1.0 1.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    56   0.00000  1.0 1.0
   47    56    57    58  -0.11250  1.0 3.0
   47    56    57    59  -0.11250  1.0 3.0
   47    56    57    60  -0.11250  1.0 3.0
   47    56    61    62   0.91850  1.0 1.0
   47    56    61    62   0.57950  1.0 3.0
   48    47    56    33   0.30150 -1.0 2.0
   48    47    56    57   0.30150 -1.0 2.0
   48    47    56    61   0.30150 -1.0 2.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   57    56    61    62  -0.11600  1.0 1.0
   57    56    61    62  -0.09450 -1.0 2.0
   57    56    61    62   0.21250  1.0 3.0
   61    56    57    58   0.23400  1.0 3.0
   61    56    57    59   0.23400  1.0 3.0
   61    56    57    60   0.23400  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    47  -0.98800  1.0 1.0
   46    41    43    47   0.48800 -1.0 2.0
   46    41    43    47   0.76800  1.0 3.0
   49    46    52    53   0.00000  1.0 1.0
   49    46    52    54   0.00000  1.0 1.0
   49    46    52    55   0.00000  1.0 1.0
   52    46    49    50   7.00000 -1.0 2.0
   52    46    49    51   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
   43    56    47    48  10.50000 -1.0 2.0
   41    52    46    49  15.00000 -1.0 2.0
   50    51    49    46  15.00000 -1.0 2.0
END
