* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    142    231     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02101    86.57263   -74.53840
    3     1 S   H    _H1_     3     1.02037    93.76719    34.00568
    4     1 S   H    _H2_     4     1.02103    33.34650   153.04375
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C10    36     1.83787    97.57331   161.85850
   34    33 S   HC   _H3_    37     1.09837   105.16778   -37.90806
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C4_    38     1.51649   108.17981    79.95229
   39    33 S   CT   _C11    53     1.55011   115.94963  -156.21191
   40    39 S   HC   _H28    54     1.10032   106.02451   170.42347
   41    38 S   C3T  _C13    39     1.47295   115.62444    74.20859
   42    38 S   CMA  _C5_    70     1.34334   120.95483  -107.17952
   43    42 S   OM   _O16    71     1.25696   131.89691   179.11463
   44    42 S   HC   _H19    72     1.08983   111.78129    -0.86818
   45    41 S   C3T  _C9_    40     1.50268   119.19716    97.20318
   46    45 S   HC   _H25    41     1.08475   118.73678     0.24866
   47    45 S   HC   _H26    42     1.08524   118.37530   143.38822
   48    41 S   CO4  _C6_    67     1.47971   112.53278  -117.55667
   49    48 S   O    _O17    68     1.22705   123.43296    59.98165
   50    48 S   HC   _H20    69     1.10247   115.62222  -119.94980
   51    41 S   C3T  _C14    43     1.51020   118.39326    27.58732
   52    51 S   CT   _C12    44     1.50166   121.63910     1.83771
   53    52 S   HC   _H29    45     1.09844   107.47825   117.82889
   54    51 S   CT   _C16    63     1.50441   117.62742  -148.93704
   55    54 S   HC   _H30    64     1.09657   110.94624   113.34293
   56    54 S   HC   _H31    65     1.09660   110.94594    -6.70083
   57    54 S   HC   _H32    66     1.09755   110.91731  -126.68776
   58    52 S   CT   _C8_    46     1.52769   113.49470  -123.18091
   59    58 S   HC   _H23    47     1.09647   111.92105   -74.18877
   60    58 S   HC   _H24    48     1.09621   111.11839    45.31250
   61    58 S   CT   _C15    49     1.53714   104.19645   164.71911
   62    61 S   CT   _C7_    50     1.54463   104.28285   -34.90530
   63    62 S   HC   _H21    51     1.09297   111.93382  -105.44050
   64    62 S   HC   _H22    52     1.09742   110.81579   137.41924
   65    61 S   CT   _C17    55     1.53229   110.96565  -155.09687
   66    65 S   HC   _H33    56     1.08783   109.57962   -64.19923
   67    65 S   HC   _H34    57     1.08721   109.59854   175.79155
   68    65 S   HC   _H35    58     1.08715   109.57185    55.74689
   69    61 S   CT   _C18    59     1.53926   110.92675    83.93465
   70    69 S   HC   _H36    60     1.08452   109.21378    64.94147
   71    69 S   HC   _H37    61     1.08455   109.21116   -55.04615
   72    69 S   HC   _H38    62     1.08453   109.18432  -175.02567
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  18   7   2   1   1  16  17   8  17   5   1   1  13   5   4   5
   2   1  11  14   6   4   2   1   1  14   5   4  11  10   3   2
   7   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    52    62    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    51    52    53    58    61    62    63    64    39    40    48    42    43    44  
   38    41    52    62    39    40    42  
   36    37  
   37  
    0  
   41    45    46    47    51    52    62    39    40    54    48    49    50    42    43    44  
   40    65    69    54    42    41    45    51    52    53    58    59    60    61    62    63    64  
   51    52    53    58    61    62    63    64  
   45    46    47    51    52    53    58    54    55    56    57    48    49    50    42    43    44  
   43    44    45    48    51  
   44  
    0  
   46    47    51    52    53    58    54    55    56    57    48    49    50  
   47    51    52    54    48  
   51    52    54    48  
   49    50    51    52    54  
   50    51  
   51  
   52    53    58    59    60    61    62    54    55    56    57  
   53    58    59    60    61    62    63    64    65    69    54    55    56    57  
   58    59    60    61    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69    70    71    72  
   60    61    62    65    69  
   61    62    65    69  
   62    63    64    65    66    67    68    69    70    71    72  
   63    64    65    66    67    68    69    70    71    72  
   64    65    69  
   65    69  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.082800   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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   317.000  1.510
   33    39   268.000  1.529
   38    41   305.000  1.480
   38    42   465.000  1.376
   41    45   260.000  1.509
   41    51   260.000  1.509
   41    48   290.000  1.496
   45    46   340.000  1.088
   45    47   340.000  1.088
   45    51   260.000  1.509
   51    52   275.000  1.510
   51    54   275.000  1.510
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    39   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    65   268.000  1.529
   61    69   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   42    43   745.000  1.250
   42    44   335.000  1.111
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    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    52    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.58800
   38    41    51    60.00000  120.58800
   38    41    48    70.00000  109.06800
   38    42    43    65.00000  137.10300
   38    42    44    45.00000  105.30000
   41    45    46    37.50000  117.20000
   41    45    47    37.50000  117.20000
   41    45    51    10.00000   60.00500
   41    51    45    10.00000   60.00500
   41    51    52    60.00000  120.94000
   41    51    54    60.00000  120.94000
   41    48    49    75.00000  121.36600
   41    48    50    40.00000  115.82000
   45    51    52    60.00000  120.94000
   45    51    54    60.00000  120.94000
   47    45    46    35.00000  114.30000
   51    41    45    10.00000   60.00500
   51    45    46    37.50000  117.20000
   51    45    47    37.50000  117.20000
   51    52    53    45.00000  109.38400
   51    52    58    70.00000  112.37300
   51    52    39    70.00000  112.37300
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    39    62    58.35000  112.70000
   52    39    40    37.50000  110.70000
   58    52    53    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    65    58.35000  112.70000
   58    61    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    39    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   62    39    40    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    52    53    37.50000  110.70000
   39    52    58    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   65    61    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    58.35000  112.70000
   69    61    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    41    45    65.00000  117.18000
   48    41    51    65.00000  117.18000
   50    48    49    35.00000  123.00000
   42    38    41    55.00000  125.06700
   44    42    43    50.00000  124.16400
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   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    39    52   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    38    41    45   0.46850  1.0 1.0
   33    38    41    45   0.08550 -1.0 2.0
   33    38    41    45   0.09800  1.0 3.0
   33    38    41    51   0.46850  1.0 1.0
   33    38    41    51   0.08550 -1.0 2.0
   33    38    41    51   0.09800  1.0 3.0
   33    38    41    48   0.17250  1.0 1.0
   33    38    41    48  -0.04100 -1.0 2.0
   33    38    41    48  -0.33850  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    52   0.15000  1.0 3.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   38    33    39    52   0.34400  1.0 1.0
   38    33    39    52   0.09450 -1.0 2.0
   38    33    39    52   0.11100  1.0 3.0
   38    33    39    62   0.34400  1.0 1.0
   38    33    39    62   0.09450 -1.0 2.0
   38    33    39    62   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41   -45    51   0.34400  1.0 1.0
   38    41   -45    51   0.09450 -1.0 2.0
   38    41   -45    51   0.11100  1.0 3.0
   38    41   -51    45   0.34400  1.0 1.0
   38    41   -51    45   0.09450 -1.0 2.0
   38    41   -51    45   0.11100  1.0 3.0
   38    41   -51    52   0.34400  1.0 1.0
   38    41   -51    52   0.09450 -1.0 2.0
   38    41   -51    52   0.11100  1.0 3.0
   38    41    51    54   0.34400  1.0 1.0
   38    41    51    54   0.09450 -1.0 2.0
   38    41    51    54   0.11100  1.0 3.0
   38    41    48    49   0.30150 -1.0 2.0
   38    41    48    50   0.81450  1.0 1.0
   38    41    48    50  -0.29600 -1.0 2.0
   38    41    48    50   0.60450  1.0 3.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    44   7.00000 -1.0 2.0
   41    45   -51    52   0.07850  1.0 1.0
   41    45   -51    52  -0.03950 -1.0 2.0
   41    45   -51    52   0.67350  1.0 3.0
   41    45   -51    54   0.07850  1.0 1.0
   41    45   -51    54  -0.03950 -1.0 2.0
   41    45   -51    54   0.67350  1.0 3.0
   41    51    52    53   0.15000  1.0 3.0
   41    51    52    58   0.07850  1.0 1.0
   41    51    52    58  -0.03950 -1.0 2.0
   41    51    52    58   0.67350  1.0 3.0
   41    51    52    39   0.07850  1.0 1.0
   41    51    52    39  -0.03950 -1.0 2.0
   41    51    52    39   0.67350  1.0 3.0
   41    51    54    55   0.15000  1.0 3.0
   41    51    54    56   0.15000  1.0 3.0
   41    51    54    57   0.15000  1.0 3.0
   45    41   -51    52   0.07850  1.0 1.0
   45    41   -51    52  -0.03950 -1.0 2.0
   45    41   -51    52   0.67350  1.0 3.0
   45    41   -51    54   0.07850  1.0 1.0
   45    41   -51    54  -0.03950 -1.0 2.0
   45    41   -51    54   0.67350  1.0 3.0
   45    41    48    49   0.30150 -1.0 2.0
   45    41    48    50   0.74550  1.0 1.0
   45    41    48    50  -0.00500 -1.0 2.0
   45    51    52    53   0.15000  1.0 3.0
   45    51    52    58   0.07850  1.0 1.0
   45    51    52    58  -0.03950 -1.0 2.0
   45    51    52    58   0.67350  1.0 3.0
   45    51    52    39   0.07850  1.0 1.0
   45    51    52    39  -0.03950 -1.0 2.0
   45    51    52    39   0.67350  1.0 3.0
   45    51    54    55   0.15000  1.0 3.0
   45    51    54    56   0.15000  1.0 3.0
   45    51    54    57   0.15000  1.0 3.0
   46    45   -51    41   0.15000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   47    45   -51    41   0.15000  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    54   0.15000  1.0 3.0
   51    41   -45    46   0.15000  1.0 3.0
   51    41   -45    47   0.15000  1.0 3.0
   51    41    48    49   0.30150 -1.0 2.0
   51    41    48    50   0.74550  1.0 1.0
   51    41    48    50  -0.00500 -1.0 2.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    58    61   0.47050  1.0 1.0
   51    52    58    61   0.03900 -1.0 2.0
   51    52    58    61   0.20100  1.0 3.0
   51    52   -39    33   0.47050  1.0 1.0
   51    52   -39    33   0.03900 -1.0 2.0
   51    52   -39    33   0.20100  1.0 3.0
   51    52    39    62   0.47050  1.0 1.0
   51    52    39    62   0.03900 -1.0 2.0
   51    52    39    62   0.20100  1.0 3.0
   51    52    39    40   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58   -61    62   0.56750  1.0 1.0
   52    58   -61    62  -0.07550 -1.0 2.0
   52    58   -61    62   0.20000  1.0 3.0
   52    58    61    65   0.56750  1.0 1.0
   52    58    61    65  -0.07550 -1.0 2.0
   52    58    61    65   0.20000  1.0 3.0
   52    58    61    69   0.56750  1.0 1.0
   52    58    61    69  -0.07550 -1.0 2.0
   52    58    61    69   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    39    33   0.15000  1.0 3.0
   53    52    39    62   0.15000  1.0 3.0
   53    52    39    40   0.15000  1.0 3.0
   58    52    39    33   0.56750  1.0 1.0
   58    52    39    33  -0.07550 -1.0 2.0
   58    52    39    33   0.20000  1.0 3.0
   58    52   -39    62   0.56750  1.0 1.0
   58    52   -39    62  -0.07550 -1.0 2.0
   58    52   -39    62   0.20000  1.0 3.0
   58    52    39    40   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61   -62    39   0.56750  1.0 1.0
   58    61   -62    39  -0.07550 -1.0 2.0
   58    61   -62    39   0.20000  1.0 3.0
   58    61    65    66   0.15000  1.0 3.0
   58    61    65    67   0.15000  1.0 3.0
   58    61    65    68   0.15000  1.0 3.0
   58    61    69    70   0.15000  1.0 3.0
   58    61    69    71   0.15000  1.0 3.0
   58    61    69    72   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    61    69   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    65   0.15000  1.0 3.0
   60    58    61    69   0.15000  1.0 3.0
   61    62    39    33   0.56750  1.0 1.0
   61    62    39    33  -0.07550 -1.0 2.0
   61    62    39    33   0.20000  1.0 3.0
   61    62   -39    52   0.56750  1.0 1.0
   61    62   -39    52  -0.07550 -1.0 2.0
   61    62   -39    52   0.20000  1.0 3.0
   61    62    39    40   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    52   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    52   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    52    58    59   0.15000  1.0 3.0
   39    52    58    60   0.15000  1.0 3.0
   39    52   -58    61   0.56750  1.0 1.0
   39    52   -58    61  -0.07550 -1.0 2.0
   39    52   -58    61   0.20000  1.0 3.0
   65    61    62    63   0.15000  1.0 3.0
   65    61    62    64   0.15000  1.0 3.0
   65    61    62    39   0.56750  1.0 1.0
   65    61    62    39  -0.07550 -1.0 2.0
   65    61    62    39   0.20000  1.0 3.0
   65    61    69    70   0.15000  1.0 3.0
   65    61    69    71   0.15000  1.0 3.0
   65    61    69    72   0.15000  1.0 3.0
   69    61    62    63   0.15000  1.0 3.0
   69    61    62    64   0.15000  1.0 3.0
   69    61    62    39   0.56750  1.0 1.0
   69    61    62    39  -0.07550 -1.0 2.0
   69    61    62    39   0.20000  1.0 3.0
   69    61    65    66   0.15000  1.0 3.0
   69    61    65    67   0.15000  1.0 3.0
   69    61    65    68   0.15000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    39   0.56750  1.0 1.0
   54    51    52    39  -0.07550 -1.0 2.0
   54    51    52    39   0.20000  1.0 3.0
   48    41    45    46   0.15000  1.0 3.0
   48    41    45    47   0.15000  1.0 3.0
   48    41   -45    51  -0.95700  1.0 1.0
   48    41   -45    51  -0.18200 -1.0 2.0
   48    41   -45    51   0.29450  1.0 3.0
   48    41   -51    45  -0.95700  1.0 1.0
   48    41   -51    45  -0.18200 -1.0 2.0
   48    41   -51    45   0.29450  1.0 3.0
   48    41    51    52  -0.95700  1.0 1.0
   48    41    51    52  -0.18200 -1.0 2.0
   48    41    51    52   0.29450  1.0 3.0
   48    41    51    54  -0.95700  1.0 1.0
   48    41    51    54  -0.18200 -1.0 2.0
   48    41    51    54   0.29450  1.0 3.0
   42    38    41    45   0.09850  1.0 1.0
   42    38    41    45   0.15250 -1.0 2.0
   42    38    41    45  -0.50650  1.0 3.0
   42    38    41    51   0.09850  1.0 1.0
   42    38    41    51   0.15250 -1.0 2.0
   42    38    41    51  -0.50650  1.0 3.0
   42    38    41    48  -0.51250  1.0 1.0
   42    38    41    48  -0.88800 -1.0 2.0
   42    38    41    48   0.08850  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
