* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    102    159     302
    1     0 S   NP   _N1_     1    28.11847    94.19883   -25.42254
    2     1 S   H    _HN1     2     1.02957    91.56412    -6.53156
    3     1 S   H    _H1_     3     1.02835    15.69248   164.54825
    4     1 S   H    _H2_     4     1.02777   111.79849  -117.00926
    5     1 S   CT   _CA1     5     1.50139   120.17107   108.24164
    6     5 S   HC   _HA1     6     1.09574   105.20628    73.13824
    7     5 S   CO3  _C1_     7     1.53781   112.31720   -47.05189
    8     7 S   O2Z  _O11     8     1.26370   114.99308   -44.45271
    9     7 S   O2Z  _O12     9     1.26228   114.93257   134.55397
   10     5 S   CT   _CB1    10     1.53085   107.40902  -168.95300
   11    10 S   HC   HB11    11     1.09830   109.33875   -50.20070
   12    10 S   HC   HB12    12     1.09815   110.43244    66.35366
   13    10 S   CT   _CG1    13     1.53028   112.68120  -171.24115
   14    13 S   HC   HG11    14     1.09591   110.53322   -64.64876
   15    13 S   HC   HG12    15     1.09657   109.89269    54.56915
   16    13 S   C    _CD1    16     1.51845   112.23831   174.95057
   17    16 S   O    _OE1    17     1.22771   123.26198     2.32961
   18    16 S   N    _N2_    18     1.38533   111.77630  -177.76349
   19    18 S   H    _HN2    19     1.01578   119.17498     3.99846
   20    18 S   CT1  _CA2    20     1.45843   122.86611   177.88419
   21    20 S   HC   _HA2    21     1.09732   108.87655    24.97179
   22    20 S   C    _C2_    22     1.53190   107.15783   -91.78644
   23    22 S   O    _O2_    23     1.22987   123.03988   -19.45142
   24    20 S   CT   _CB2    32     1.53067   112.27701   147.89419
   25    24 S   HC   HB21    33     1.09602   110.31544    58.76284
   26    24 S   HC   HB22    34     1.09220   109.69835   177.66066
   27    22 S   N    _N3_    24     1.38693   112.65474   162.37877
   28    27 S   H    _HN3    25     1.01526   119.79034     1.89062
   29    24 S   S    _SG2    35     1.82469   111.96308   -62.36910
   30    27 S   CT   _CA3    26     1.45467   122.53135   178.12518
   31    30 S   HC   HA31    27     1.09563   108.55613    37.02857
   32    30 S   HC   HA32    28     1.09485   107.25911   153.82014
   33    29 S   CT   _C12    36     1.83968    98.86808  -177.24054
   34    33 S   HC   _H3_    37     1.08934   107.14310   -29.34325
   35    30 S   CO3  _C3_    29     1.52990   113.75595   -86.04515
   36    35 S   O2Z  _O31    30     1.26382   114.89612   139.48152
   37    35 S   O2Z  _O32    31     1.26400   115.65950   -41.54816
   38    33 S   CM   _C11    38     1.51577   109.05702    91.36135
   39    38 S   HC   _H8_    39     1.09357   113.98350    53.88771
   40    33 S   CM   _C13    54     1.50879   107.97380  -148.39829
   41    40 S   HC   _H9_    55     1.09067   115.59589   -69.33180
   42    38 S   CMA  _C10    40     1.35921   129.99709  -127.51633
   43    42 S   OM   _O36    41     1.26660   126.80982  -178.64954
   44    40 S   CM   _C14    56     1.34081   127.71537   113.07828
   45    42 S   CA   _C8_    42     1.49674   114.18330     0.53266
   46    44 S   CO3  _C15    57     1.54775   125.31786    -2.82757
   47    46 S   O2Z  _O34    58     1.26664   113.99109   139.08286
   48    46 S   O2Z  _O33    59     1.26238   116.37398   -43.77865
   49    44 S   OH   _O35    60     1.38693   119.41517   176.03192
   50    49 S   HO   _H10    61     0.97491   106.37189  -172.04421
   51    45 S   CA   _C9_    43     1.40626   119.23763   -82.97979
   52    51 S   HA   _H7_    44     1.08773   120.30907    -0.80235
   53    51 S   CA   _C4_    45     1.39604   120.60672   178.33917
   54    53 S   HA   _H4_    46     1.08617   119.84663  -179.20722
   55    53 S   CA   _C5_    47     1.39385   120.10073     0.36957
   56    55 S   HA   _H5_    48     1.08609   119.94493  -179.76593
   57    55 S   CA   _C6_    49     1.39426   120.11585     0.18345
   58    57 S   HA   _H6_    50     1.08640   119.42394   179.86878
   59    45 S   CA   _C7_    51     1.40590   122.26231    96.19538
   60    59 S   OH   _O37    52     1.37004   119.63129     1.37045
   61    60 S   HO   _H11    53     0.97661   109.23670  -172.87137
  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
  11   6   2   1   1   9   4   8   3   8   3   5  10   4   2   1
   1   1   8   4   6   3   5   3   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    40    41    44    46    49  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    45    51    59    40    41    44  
   42    43    45    40  
   41    44    46    47    48    49    50    42  
   44    46    49  
   43    45    51    52    53    57    59    60  
   45    51    59  
   46    47    48    49    50  
   51    52    53    54    55    57    58    59    60    61  
   47    48    49    50  
   48    49  
   49  
   50  
    0  
   52    53    54    55    56    57    59    60  
   53    54    55    59  
   54    55    56    57    58    59  
   55    56    57  
   56    57    58    59    60  
   57    58    59  
   58    59    60    61  
   59    60  
   60    61  
   61  
    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   3.5500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
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    40   317.000  1.510
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    45   320.000  1.460
   45    51   469.000  1.400
   45    59   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   450.000  1.364
   60    61   553.000  0.945
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    46   230.000  1.545
   44    49   510.000  1.338
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   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    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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    45    60.00000  123.20500
   42    38    39    40.00000  120.50800
   42    45    51    60.00000  120.93500
   42    45    59    60.00000  120.93500
   45    42    43    85.00000  114.86500
   45    51    52    35.00000  120.00000
   45    51    53    63.00000  120.00000
   45    59    57    63.00000  120.00000
   45    59    60    70.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    70.00000  120.00000
   59    45    51    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  113.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    46    55.00000  124.75400
   40    44    49    80.00000  121.38400
   44    40    41    35.00000  120.00000
   44    46    47    85.00000  113.83300
   44    46    48    85.00000  113.83300
   44    49    50    70.00000  107.45700
   48    46    47    80.00000  126.00000
   49    44    46    80.00000  119.00000
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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    45   7.00000 -1.0 2.0
   33    40    44    46   7.00000 -1.0 2.0
   33    40    44    49   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    45    51   0.15800  1.0 1.0
   38    42    45    51   1.85350 -1.0 2.0
   38    42    45    51  -0.48700  1.0 3.0
   38    42    45    59   0.15800  1.0 1.0
   38    42    45    59   1.85350 -1.0 2.0
   38    42    45    59  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    45   7.00000 -1.0 2.0
   42    45    51    52   3.62500 -1.0 2.0
   42    45    51    53   3.62500 -1.0 2.0
   42    45    59    57   3.62500 -1.0 2.0
   42    45    59    60   3.62500 -1.0 2.0
   43    42    45    51  -0.01750  1.0 1.0
   43    42    45    51  -0.32000 -1.0 2.0
   43    42    45    51   0.00600  1.0 3.0
   43    42    45    59  -0.01750  1.0 1.0
   43    42    45    59  -0.32000 -1.0 2.0
   43    42    45    59   0.00600  1.0 3.0
   45    51    53    54   3.62500 -1.0 2.0
   45    51    53    55   3.62500 -1.0 2.0
   45    59    60    61   0.84100 -1.0 2.0
   51    45    59    57   3.62500 -1.0 2.0
   51    45    59    60   3.62500 -1.0 2.0
   51    53    55    56   3.62500 -1.0 2.0
   51    53   -55    57   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55    57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57   -59    45   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    60    61   0.84100 -1.0 2.0
   58    57    59    45   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   59    45    51    52   3.62500 -1.0 2.0
   59    45   -51    53   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    46    47  -0.04000 -1.0 2.0
   40    44    46    47  -0.29050  1.0 3.0
   40    44    46    48  -0.04000 -1.0 2.0
   40    44    46    48  -0.29050  1.0 3.0
   40    44    49    50  -0.66100  1.0 1.0
   40    44    49    50   1.20850 -1.0 2.0
   40    44    49    50  -0.36000  1.0 3.0
   41    40    44    46   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   46    44    49    50   2.00000 -1.0 2.0
   49    44    46    47   1.68800 -1.0 2.0
   49    44    46    48   1.68800 -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    39    38    42  15.00000 -1.0 2.0
   45    43    42    38  15.00000 -1.0 2.0
   51    59    45    42   4.00000 -1.0 2.0
   53    52    51    45   1.10000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   57    60    59    45   4.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   46    49    44    40  15.00000 -1.0 2.0
   47    44    46    48  10.50000 -1.0 2.0
END
