* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    143    237     431
    1     0 S   NP   _N1_     1    28.15375    95.98778   -24.33386
    2     1 S   H    _HN1     2     1.02777   110.83361  -117.00387
    3     1 S   H    _H1_     3     1.02957    82.49393   -10.18219
    4     1 S   H    _H2_     4     1.02835    25.40874   155.00562
    5     1 S   CT   _CA1     5     1.50142   127.39682    99.79571
    6     5 S   HC   _HA1     6     1.09576   105.19726    81.32306
    7     5 S   CO3  _C1_     7     1.53774   112.33330   -38.83307
    8     7 S   O2Z  _O11     8     1.26367   114.99040   -44.17327
    9     7 S   O2Z  _O12     9     1.26231   114.92824   134.81731
   10     5 S   CT   _CB1    10     1.53088   107.41058  -160.79584
   11    10 S   HC   HB11    11     1.09829   109.29611   -50.42503
   12    10 S   HC   HB12    12     1.09814   110.44644    66.11833
   13    10 S   CT   _CG1    13     1.53031   112.69618  -171.48350
   14    13 S   HC   HG11    14     1.09592   110.51814   -65.18683
   15    13 S   HC   HG12    15     1.09659   109.89266    54.02435
   16    13 S   C    _CD1    16     1.51852   112.26028   174.36939
   17    16 S   O    _OE1    17     1.22764   123.27058     2.06365
   18    16 S   N    _N2_    18     1.38559   111.77416  -177.90090
   19    18 S   H    _HN2    19     1.01567   119.09570     3.80699
   20    18 S   CT1  _CA2    20     1.45826   122.80918   177.69616
   21    20 S   HC   _HA2    21     1.09732   108.85540    25.82447
   22    20 S   C    _C2_    22     1.52952   107.02275   -91.21054
   23    22 S   O    _O2_    23     1.22979   123.07752   -26.95525
   24    20 S   CT   _CB2    32     1.53188   112.30845   149.00762
   25    24 S   HC   HB21    33     1.09536   110.03287    54.47197
   26    24 S   HC   HB22    34     1.09525   110.15818   173.46181
   27    22 S   N    _N3_    24     1.38501   112.55894   155.75199
   28    27 S   H    _HN3    25     1.01658   120.35071    -2.17042
   29    24 S   S    _SG2    35     1.82450   111.19822   -66.31211
   30    27 S   CT   _CA3    26     1.45355   122.48086   178.62428
   31    30 S   HC   HA31    27     1.09568   107.79885   -55.85691
   32    30 S   HC   HA32    28     1.09561   107.62531    60.48105
   33    29 S   CT   _C10    36     1.84151    99.64757  -172.65768
   34    33 S   HC   _H4_    37     1.09773   104.54976    58.25126
   35    30 S   CO3  _C3_    29     1.52886   114.31524  -177.78247
   36    35 S   O2Z  _O31    30     1.26335   116.04855    -1.00444
   37    35 S   O2Z  _O32    31     1.26432   114.41739   178.96146
   38    33 S   CT   _C11    38     1.54137   115.08074   -59.23005
   39    38 S   HC   _H5_    39     1.09464   111.98606    73.77135
   40    38 S   CM   _C12    40     1.51048   102.49575  -166.27779
   41    38 S   OH   _O33    72     1.42330   112.58511   -49.41150
   42    41 S   HO   _H21    73     0.97551   106.91508   -41.46301
   43    40 S   CT   _C14    41     1.53554   111.11713    20.62545
   44    40 S   CM   _C13    69     1.34072   123.30305  -155.94157
   45    44 S   HC   _H14    70     1.08432   121.35631   177.56764
   46    44 S   HC   _H15    71     1.08472   120.98359    -2.18847
   47    43 S   CT   _C15    42     1.56693   110.20614  -105.73527
   48    47 S   HC   _H6_    43     1.09995   109.99401     6.94286
   49    33 S   CT   _C9_    56     1.56533   116.79734   178.43740
   50    49 S   OM   _O34    57     1.32279   112.22874    45.78597
   51    43 S   CT   _C17    65     1.54196   110.69726   127.93204
   52    51 S   HC   _H18    66     1.09567   111.51690  -170.94829
   53    51 S   HC   _H19    67     1.09587   111.63600    68.29815
   54    51 S   HC   _H20    68     1.09682   111.73026   -50.56917
   55    47 S   CT   _C16    44     1.53553   119.57059  -117.65274
   56    55 S   HC   _H16    45     1.09479   111.99658   -33.52767
   57    55 S   HC   _H17    46     1.09455   111.03389    86.46241
   58    55 S   CT   _C5_    47     1.53525   103.61799  -150.62722
   59    58 S   CT   _C6_    48     1.53399   101.51217    43.52133
   60    59 S   HC   _H10    49     1.09465   113.91300  -161.13000
   61    59 S   HC   _H11    50     1.09719   110.31815    78.78830
   62    58 S   CO3  _C18    58     1.55406   113.35270   -79.83844
   63    62 S   O2Z  _O36    59     1.26471   115.60797   -37.14717
   64    62 S   O2Z  _O35    60     1.26408   115.74296   143.93277
   65    58 S   CT   _C4_    61     1.52885   112.02954   162.96737
   66    65 S   HC   _H7_    62     1.09586   111.32035   -57.28266
   67    65 S   HC   _H8_    63     1.09622   111.31483  -177.16503
   68    65 S   HC   _H9_    64     1.09618   111.49334    62.59665
   69    47 S   CT   _C7_    51     1.54355   107.61743   123.26947
   70    69 S   HC   _H3_    52     1.09763   109.22059  -108.86104
   71    69 S   CT   _C8_    53     1.52501   106.31843     9.53554
   72    71 S   HC   _H12    54     1.09944   110.06002    90.29513
   73    71 S   HC   _H13    55     1.09671   110.99474  -151.65629
  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
  16   8   2   1   1  13   6  17   4   1  21   5   1   1  21  10
  12   5   6   2   1   1  16   6   5  13  14   6   5   7   2   1
   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    40    43    71    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    69    71    72    73    49    50    51    44    41    42  
   38    39    40    43    71    49    50    41  
   36    37  
   37  
    0  
   39    40    43    47    71    49    50    51    44    45    46    41    42  
   40    43    49    44    41    42  
   43    47    48    55    69    71    49    50    51    52    53    54    44    45    46    41    42  
   42    43    44    49  
    0  
   47    48    55    56    57    58    59    69    70    71    72    73    49    50    51    52    53    54    44    45    46  
   45    46    47    49    51  
   46  
    0  
   48    55    56    57    58    59    60    61    69    70    71    72    73    49    50    62    65    51    52    53    54  
   55    56    57    58    59    69    70    71    49    51  
   50    51    52    53    54    55    59    69    70    71    72    73  
   51    69    71    72    73  
   52    53    54    55    69    71  
   53    54  
   54  
    0  
   56    57    58    59    60    61    69    70    71    62    63    64    65    66    67    68  
   57    58    59    69    62    65  
   58    59    69    62    65  
   59    60    61    69    70    71    62    63    64    65    66    67    68  
   60    61    69    70    71    72    73    62    63    64    65    66    67    68  
   61    69    70    71    62    65  
   69    70    71    62    65  
   63    64    65    66    67    68    69  
   64    65  
   65  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   317.000  1.510
   40    44   549.000  1.340
   43    47   268.000  1.529
   43    49   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    69   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   268.000  1.529
   58    62   317.000  1.522
   58    65   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    49   268.000  1.529
   49    50   570.000  1.307
   62    63   656.000  1.250
   62    64   656.000  1.250
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   340.000  1.080
   44    46   340.000  1.080
   41    42   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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    41    50.00000  109.50000
   33    49    43    58.35000  112.70000
   33    49    71    58.35000  112.70000
   33    49    50    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    65.00000  117.92700
   38    40    44    70.00000  124.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    47    70.00000  112.02700
   40    43    49    70.00000  112.02700
   40    43    51    70.00000  112.02700
   40    44    45    35.00000  120.00000
   40    44    46    35.00000  120.00000
   43    47    48    37.50000  110.70000
   43    47    55    58.35000  112.70000
   43    47    69    58.35000  112.70000
   43    49    71    58.35000  112.70000
   43    49    50    50.00000  109.50000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    58    58.35000  112.70000
   47    69    59    58.35000  112.70000
   47    69    70    37.50000  110.70000
   47    69    71    58.35000  112.70000
   55    47    48    37.50000  110.70000
   55    58    59    58.35000  112.70000
   55    58    62    70.00000  109.69300
   55    58    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    59    60    37.50000  110.70000
   58    59    61    37.50000  110.70000
   58    59    69    58.35000  112.70000
   58    62    63    70.00000  117.00000
   58    62    64    70.00000  117.00000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    37.50000  110.70000
   59    69    70    37.50000  110.70000
   59    69    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   69    47    48    37.50000  110.70000
   69    47    55    58.35000  112.70000
   69    59    60    37.50000  110.70000
   69    59    61    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    49    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    49    50    50.00000  109.50000
   73    71    72    33.00000  107.80000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    43    47    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    73    37.50000  110.70000
   62    58    59    70.00000  109.69300
   64    62    63    80.00000  126.00000
   65    58    59    58.35000  112.70000
   65    58    62    70.00000  109.69300
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   51    43    47    58.35000  112.70000
   51    43    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    40    43    70.00000  124.00000
   46    44    45    35.00000  117.00000
   41    38    39    35.00000  109.50000
   41    38    40    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    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    43   0.44750  1.0 1.0
   29    33    49    43  -0.17800 -1.0 2.0
   29    33    49    43   0.20200  1.0 3.0
   29    33    49    71   0.44750  1.0 1.0
   29    33    49    71  -0.17800 -1.0 2.0
   29    33    49    71   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   33    38   -40    43   0.46850  1.0 1.0
   33    38   -40    43   0.08550 -1.0 2.0
   33    38   -40    43   0.09800  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   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   0.23400  1.0 3.0
   34    33    49    43   0.15000  1.0 3.0
   34    33    49    71   0.15000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   38    33   -49    43   0.56750  1.0 1.0
   38    33   -49    43  -0.07550 -1.0 2.0
   38    33   -49    43   0.20000  1.0 3.0
   38    33    49    71   0.56750  1.0 1.0
   38    33    49    71  -0.07550 -1.0 2.0
   38    33    49    71   0.20000  1.0 3.0
   38    33    49    50   0.62750  1.0 1.0
   38    33    49    50  -0.30950 -1.0 2.0
   38    33    49    50   0.27300  1.0 3.0
   38    40    43    47   0.46850  1.0 1.0
   38    40    43    47   0.08550 -1.0 2.0
   38    40    43    47   0.09800  1.0 3.0
   38    40   -43    49   0.46850  1.0 1.0
   38    40   -43    49   0.08550 -1.0 2.0
   38    40   -43    49   0.09800  1.0 3.0
   38    40    43    51   0.46850  1.0 1.0
   38    40    43    51   0.08550 -1.0 2.0
   38    40    43    51   0.09800  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40    44    46   7.00000 -1.0 2.0
   39    38    40    43   0.34800  1.0 3.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.07800  1.0 1.0
   40    38    41    42  -0.21500 -1.0 2.0
   40    38    41    42  -0.03150  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    55   0.34400  1.0 1.0
   40    43    47    55   0.09450 -1.0 2.0
   40    43    47    55   0.11100  1.0 3.0
   40    43    47    69   0.34400  1.0 1.0
   40    43    47    69   0.09450 -1.0 2.0
   40    43    47    69   0.11100  1.0 3.0
   40    43   -49    33   0.34400  1.0 1.0
   40    43   -49    33   0.09450 -1.0 2.0
   40    43   -49    33   0.11100  1.0 3.0
   40    43    49    71   0.34400  1.0 1.0
   40    43    49    71   0.09450 -1.0 2.0
   40    43    49    71   0.11100  1.0 3.0
   40    43    49    50   0.61850  1.0 1.0
   40    43    49    50  -0.22750 -1.0 2.0
   40    43    49    50   0.15300  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43    51    54   0.15000  1.0 3.0
   43    40    44    45   7.00000 -1.0 2.0
   43    40    44    46   7.00000 -1.0 2.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    57   0.15000  1.0 3.0
   43    47    55    58   0.56750  1.0 1.0
   43    47    55    58  -0.07550 -1.0 2.0
   43    47    55    58   0.20000  1.0 3.0
   43    47    69    59   0.56750  1.0 1.0
   43    47    69    59  -0.07550 -1.0 2.0
   43    47    69    59   0.20000  1.0 3.0
   43    47    69    70   0.15000  1.0 3.0
   43    47   -69    71   0.56750  1.0 1.0
   43    47   -69    71  -0.07550 -1.0 2.0
   43    47   -69    71   0.20000  1.0 3.0
   47    43    49    33   0.56750  1.0 1.0
   47    43    49    33  -0.07550 -1.0 2.0
   47    43    49    33   0.20000  1.0 3.0
   47    43   -49    71   0.56750  1.0 1.0
   47    43   -49    71  -0.07550 -1.0 2.0
   47    43   -49    71   0.20000  1.0 3.0
   47    43    49    50   0.62750  1.0 1.0
   47    43    49    50  -0.30950 -1.0 2.0
   47    43    49    50   0.27300  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   47    55   -58    59   0.56750  1.0 1.0
   47    55   -58    59  -0.07550 -1.0 2.0
   47    55   -58    59   0.20000  1.0 3.0
   47    55    58    62  -1.63150  1.0 1.0
   47    55    58    62  -0.43550 -1.0 2.0
   47    55    58    62   0.24500  1.0 3.0
   47    55    58    65   0.56750  1.0 1.0
   47    55    58    65  -0.07550 -1.0 2.0
   47    55    58    65   0.20000  1.0 3.0
   47    69    71    72   0.15000  1.0 3.0
   47    69    71    73   0.15000  1.0 3.0
   47    69   -71    49   0.56750  1.0 1.0
   47    69   -71    49  -0.07550 -1.0 2.0
   47    69   -71    49   0.20000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    58   0.15000  1.0 3.0
   48    47    69    59   0.15000  1.0 3.0
   48    47    69    70   0.15000  1.0 3.0
   48    47    69    71   0.15000  1.0 3.0
   55    47   -69    59   0.56750  1.0 1.0
   55    47   -69    59  -0.07550 -1.0 2.0
   55    47   -69    59   0.20000  1.0 3.0
   55    47    69    70   0.15000  1.0 3.0
   55    47    69    71   0.56750  1.0 1.0
   55    47    69    71  -0.07550 -1.0 2.0
   55    47    69    71   0.20000  1.0 3.0
   55    58    59    60   0.15000  1.0 3.0
   55    58    59    61   0.15000  1.0 3.0
   55    58   -59    69   0.56750  1.0 1.0
   55    58   -59    69  -0.07550 -1.0 2.0
   55    58   -59    69   0.20000  1.0 3.0
   55    58    62    63   0.41150 -1.0 2.0
   55    58    62    64   0.41150 -1.0 2.0
   55    58    65    66   0.15000  1.0 3.0
   55    58    65    67   0.15000  1.0 3.0
   55    58    65    68   0.15000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    62  -0.11250  1.0 3.0
   56    55    58    65   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    62  -0.11250  1.0 3.0
   57    55    58    65   0.15000  1.0 3.0
   58    59   -69    47   0.56750  1.0 1.0
   58    59   -69    47  -0.07550 -1.0 2.0
   58    59   -69    47   0.20000  1.0 3.0
   58    59    69    70   0.15000  1.0 3.0
   58    59    69    71   0.56750  1.0 1.0
   58    59    69    71  -0.07550 -1.0 2.0
   58    59    69    71   0.20000  1.0 3.0
   59    58    62    63   0.41150 -1.0 2.0
   59    58    62    64   0.41150 -1.0 2.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    68   0.15000  1.0 3.0
   59    69    71    72   0.15000  1.0 3.0
   59    69    71    73   0.15000  1.0 3.0
   59    69    71    49   0.56750  1.0 1.0
   59    69    71    49  -0.07550 -1.0 2.0
   59    69    71    49   0.20000  1.0 3.0
   60    59    69    47   0.15000  1.0 3.0
   60    59    69    70   0.15000  1.0 3.0
   60    59    69    71   0.15000  1.0 3.0
   61    59    69    47   0.15000  1.0 3.0
   61    59    69    70   0.15000  1.0 3.0
   61    59    69    71   0.15000  1.0 3.0
   69    47    55    56   0.15000  1.0 3.0
   69    47    55    57   0.15000  1.0 3.0
   69    47   -55    58   0.56750  1.0 1.0
   69    47   -55    58  -0.07550 -1.0 2.0
   69    47   -55    58   0.20000  1.0 3.0
   69    71    49    33   0.56750  1.0 1.0
   69    71    49    33  -0.07550 -1.0 2.0
   69    71    49    33   0.20000  1.0 3.0
   69    71   -49    43   0.56750  1.0 1.0
   69    71   -49    43  -0.07550 -1.0 2.0
   69    71   -49    43   0.20000  1.0 3.0
   69    71    49    50   0.62750  1.0 1.0
   69    71    49    50  -0.30950 -1.0 2.0
   69    71    49    50   0.27300  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    49   0.15000  1.0 3.0
   72    71    49    33   0.15000  1.0 3.0
   72    71    49    43   0.15000  1.0 3.0
   72    71    49    50   0.23400  1.0 3.0
   73    71    49    33   0.15000  1.0 3.0
   73    71    49    43   0.15000  1.0 3.0
   73    71    49    50   0.23400  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    41   0.86500  1.0 1.0
   49    33    38    41  -0.17500 -1.0 2.0
   49    33    38    41   0.20800  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    55   0.56750  1.0 1.0
   49    43    47    55  -0.07550 -1.0 2.0
   49    43    47    55   0.20000  1.0 3.0
   49    43   -47    69   0.56750  1.0 1.0
   49    43   -47    69  -0.07550 -1.0 2.0
   49    43   -47    69   0.20000  1.0 3.0
   49    43    51    52   0.15000  1.0 3.0
   49    43    51    53   0.15000  1.0 3.0
   49    43    51    54   0.15000  1.0 3.0
   62    58    59    60  -0.11250  1.0 3.0
   62    58    59    61  -0.11250  1.0 3.0
   62    58    59    69  -1.63150  1.0 1.0
   62    58    59    69  -0.43550 -1.0 2.0
   62    58    59    69   0.24500  1.0 3.0
   62    58    65    66  -0.11250  1.0 3.0
   62    58    65    67  -0.11250  1.0 3.0
   62    58    65    68  -0.11250  1.0 3.0
   65    58    59    60   0.15000  1.0 3.0
   65    58    59    61   0.15000  1.0 3.0
   65    58    59    69   0.56750  1.0 1.0
   65    58    59    69  -0.07550 -1.0 2.0
   65    58    59    69   0.20000  1.0 3.0
   65    58    62    63   0.41150 -1.0 2.0
   65    58    62    64   0.41150 -1.0 2.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    55   0.56750  1.0 1.0
   51    43    47    55  -0.07550 -1.0 2.0
   51    43    47    55   0.20000  1.0 3.0
   51    43    47    69   0.56750  1.0 1.0
   51    43    47    69  -0.07550 -1.0 2.0
   51    43    47    69   0.20000  1.0 3.0
   51    43    49    33   0.56750  1.0 1.0
   51    43    49    33  -0.07550 -1.0 2.0
   51    43    49    33   0.20000  1.0 3.0
   51    43    49    71   0.56750  1.0 1.0
   51    43    49    71  -0.07550 -1.0 2.0
   51    43    49    71   0.20000  1.0 3.0
   51    43    49    50   0.62750  1.0 1.0
   51    43    49    50  -0.30950 -1.0 2.0
   51    43    49    50   0.27300  1.0 3.0
   44    40    43    47   0.09850  1.0 1.0
   44    40    43    47   0.15250 -1.0 2.0
   44    40    43    47  -0.50650  1.0 3.0
   44    40    43    49   0.09850  1.0 1.0
   44    40    43    49   0.15250 -1.0 2.0
   44    40    43    49  -0.50650  1.0 3.0
   44    40    43    51   0.09850  1.0 1.0
   44    40    43    51   0.15250 -1.0 2.0
   44    40    43    51  -0.50650  1.0 3.0
   41    38    40    43   0.18000  1.0 1.0
   41    38    40    43   0.16450 -1.0 2.0
   41    38    40    43   0.04450  1.0 3.0
   41    38    40    44   0.67800  1.0 1.0
   41    38    40    44   0.47050 -1.0 2.0
   41    38    40    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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    44   1.10000 -1.0 2.0
   63    58    62    64  10.50000 -1.0 2.0
   45    46    44    40   1.10000 -1.0 2.0
END
