* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    148    229     419
    1     0 S   NP   _N1_     1    29.03783    96.45794   -21.32631
    2     1 S   H    _HN1     2     1.02790    96.24378   -93.75553
    3     1 S   H    _H1_     3     1.02950    72.67566    13.56725
    4     1 S   H    _H2_     4     1.02830    42.40553   156.48694
    5     1 S   CT   _CA1     5     1.50092   147.57715   114.58297
    6     5 S   HC   _HA1     6     1.09575   105.19904    88.02303
    7     5 S   CO3  _C1_     7     1.53668   112.50366   -32.22503
    8     7 S   O2Z  _O11     8     1.26352   115.05936   -43.03168
    9     7 S   O2Z  _O12     9     1.26216   114.92866   136.18457
   10     5 S   CT   _CB1    10     1.53042   107.44297  -154.01643
   11    10 S   HC   HB11    11     1.09836   109.23330   -50.40200
   12    10 S   HC   HB12    12     1.09815   110.50092    66.15247
   13    10 S   CT   _CG1    13     1.53014   112.67789  -171.41977
   14    13 S   HC   HG11    14     1.09593   110.66396   -67.71706
   15    13 S   HC   HG12    15     1.09669   109.79149    51.55346
   16    13 S   C    _CD1    16     1.51801   112.03505   171.94958
   17    16 S   O    _OE1    17     1.22745   123.22145     9.48775
   18    16 S   N    _N2_    18     1.38568   111.73763  -170.64138
   19    18 S   H    _HN2    19     1.01615   119.06969     0.71982
   20    18 S   CT1  _CA2    20     1.46296   123.46561   177.27840
   21    20 S   HC   _HA2    21     1.09733   109.37642     2.67978
   22    20 S   C    _C2_    22     1.53560   108.92002  -112.83742
   23    22 S   O    _O2_    23     1.23067   122.24600  -151.01180
   24    20 S   CT   _CB2    32     1.53208   111.10413   124.70889
   25    24 S   HC   HB21    33     1.09400   109.42403    55.63819
   26    24 S   HC   HB22    34     1.09497   110.95218   174.15102
   27    22 S   N    _N3_    24     1.38329   113.77942    36.65530
   28    27 S   H    _HN3    25     1.01573   119.52377    -3.66062
   29    24 S   S    _SG2    35     1.82871   111.03699   -66.62233
   30    27 S   CT   _CA3    26     1.45263   123.24836   177.09451
   31    30 S   HC   HA31    27     1.09547   107.56359   -63.85466
   32    30 S   HC   HA32    28     1.09558   107.93479    52.58396
   33    29 S   CT   _C18    36     1.82119    99.86326   150.30946
   34    33 S   HC   _H3_    37     1.09480   108.11600    50.21916
   35    33 S   HC   _H4_    38     1.09471   108.27445   164.46094
   36    30 S   CO3  _C3_    29     1.52957   114.06406   174.59902
   37    36 S   O2Z  _O31    30     1.26379   116.08459     1.33808
   38    36 S   O2Z  _O32    31     1.26426   114.41290  -178.63829
   39    33 S   CM   _C4_    39     1.50452   112.01536   -74.62632
   40    39 S   CMA  _C5_    40     1.35145   126.03190   119.45882
   41    40 S   OM   _O16    41     1.26312   128.10305     0.97518
   42    40 S   OS   _O17    42     1.41682   109.75881  -176.96088
   43    42 S   CT   _C12    43     1.43732   106.21236   -17.98723
   44    43 S   HC   _H31    44     1.09646   106.92994   -90.80066
   45    39 S   CT   _C10    45     1.50813   122.58807   -58.62966
   46    45 S   HC   _H29    46     1.09763   107.66340    76.59702
   47    43 S   C3T  _C13    63     1.49599   109.19505   149.25738
   48    47 S   HC   _H32    64     1.08220   113.24673  -102.98061
   49    45 S   CT   _C6_    47     1.54400   114.88546   -45.37191
   50    49 S   HC   _H21    48     1.09663   108.22307    47.02402
   51    49 S   HC   _H22    49     1.09588   110.48706   -67.75204
   52    70 S   O3T  _O19    65     1.43367   115.79672  -147.74895
   53    49 S   CT   _C8_    50     1.53786   115.91109   164.48259
   54    53 S   HC   _H25    51     1.09837   107.51615  -159.22754
   55    53 S   HC   _H26    52     1.09722   109.24015   -44.88838
   56    53 S   C3T  _C14    53     1.51026   115.98286    81.16554
   57    56 S   C3T  _C11    54     1.53034   117.85724  -116.59002
   58    57 S   HC   _H30    55     1.08256   119.53449     3.44014
   59    56 S   CT   _C16    71     1.50189   116.84084    50.74751
   60    59 S   HC   _H33    72     1.09402   112.66856   163.94951
   61    59 S   HC   _H34    73     1.09554   110.20423    44.66050
   62    59 S   HC   _H35    74     1.09211   111.00584   -74.81821
   63    57 S   CT   _C7_    56     1.49665   123.48082   156.99924
   64    63 S   HC   _H23    57     1.09647   108.52626   138.65275
   65    63 S   HC   _H24    58     1.09391   111.82214    21.55923
   66    56 S   O3T  _O18    70     1.44760   112.87971   179.76930
   67    63 S   CT   _C9_    59     1.53649   111.61997  -101.86299
   68    67 S   HC   _H27    60     1.09640   109.33568  -179.48376
   69    67 S   HC   _H28    61     1.09697   109.27611   -63.50419
   70    67 S   C3T  _C15    62     1.50638   111.81760    58.68582
   71    70 S   CT   _C17    66     1.49960   116.76449    78.60760
   72    71 S   HC   _H36    67     1.09455   112.44475   174.25055
   73    71 S   HC   _H37    68     1.09542   110.05175    54.93586
   74    71 S   HC   _H38    69     1.09239   111.13862   -64.30486
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  12   5  12   4
   9   5   4   9  11   5   4  11  13   6   5   3   2   1   8   6
   5   1   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    53    47  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    70    47    48    52  
   44    45    46    49    50    51    53    67    70    47    48    52    71  
   45    46    49    70    47    48    52  
   46    49    50    51    53    54    55    56    70    47    48    52  
   49    50    51    53    47  
   48    52    71    72    73    74    49    63    67    68    69    70  
   52    71    67    70  
   50    51    53    54    55    56    57    66    59  
   51    53    54    55    56  
   53    54    55    56  
   71    72    73    74    63    67    68    69    70  
   54    55    56    57    58    63    66    59    60    61    62  
   55    56    57    66    59  
   56    57    66    59  
   57    58    63    64    65    67    66    59    60    61    62  
   58    63    64    65    67    68    69    70    66    59    60    61    62  
   63    64    65    67    66    59  
   60    61    62    63    66  
   61    62    66  
   62    66  
   66  
   64    65    67    68    69    70    71    66  
   65    67    68    69    70    66  
   67    68    69    70    66  
   67  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   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
   74   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   275.000  1.510
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   275.000  1.510
   56    57   260.000  1.509
   56    66   335.000  1.432
   56    59   275.000  1.510
   57    58   340.000  1.088
   57    63   275.000  1.510
   57    66   335.000  1.432
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   275.000  1.510
   70    47   260.000  1.509
   70    52   335.000  1.432
   70    71   275.000  1.510
   47    48   340.000  1.088
   47    52   335.000  1.432
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    70    60.00000  120.94000
   43    47    48    40.00000  115.04500
   43    47    52    80.00000  116.47100
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    53    58.35000  112.70000
   49    45    46    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    70.00000  112.37300
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    56    57    60.00000  120.94000
   53    56    66    80.00000  116.47100
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    45.00000  109.38400
   56    53    55    45.00000  109.38400
   56    57    58    37.50000  117.20000
   56    57    63    60.00000  120.94000
   56    57    66    15.00000   60.43100
   56    66    57    15.00000   59.14900
   56    59    60    45.00000  109.38400
   56    59    61    45.00000  109.38400
   56    59    62    45.00000  109.38400
   57    63    64    45.00000  109.38400
   57    63    65    45.00000  109.38400
   57    63    67    70.00000  112.37300
   63    57    58    40.00000  115.04500
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    70.00000  112.37300
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    70    47    60.00000  120.94000
   67    70    52    80.00000  116.47100
   67    70    71    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    45.00000  109.38400
   70    67    69    45.00000  109.38400
   70    47    48    37.50000  117.20000
   70    47    52    15.00000   60.43100
   70    52    47    15.00000   59.14900
   70    71    72    45.00000  109.38400
   70    71    73    45.00000  109.38400
   70    71    74    45.00000  109.38400
   47    43    44    45.00000  109.38400
   47    43    45    70.00000  112.37300
   52    70    47    15.00000   60.43100
   52    47    48    50.00000  114.27700
   71    70    47    60.00000  120.94000
   71    70    52    80.00000  116.47100
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   66    56    57    15.00000   60.43100
   66    57    58    50.00000  114.27700
   66    57    63    80.00000  116.47100
   59    56    57    60.00000  120.94000
   59    56    66    80.00000  116.47100
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    51   0.15000  1.0 3.0
   39    45    49    53   0.34400  1.0 1.0
   39    45    49    53   0.09450 -1.0 2.0
   39    45    49    53   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    70  -0.26800  1.0 1.0
   42    43    47    70   0.69150 -1.0 2.0
   42    43    47    70  -0.48750  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    52   1.11900  1.0 1.0
   42    43    47    52  -1.16350 -1.0 2.0
   42    43    47    52  -0.34150  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.15000  1.0 3.0
   43    45    49    53   0.56750  1.0 1.0
   43    45    49    53  -0.07550 -1.0 2.0
   43    45    49    53   0.20000  1.0 3.0
   43    47   -52    70   0.06250  1.0 1.0
   43    47   -52    70  -0.01100 -1.0 2.0
   43    47   -52    70   0.28050  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    70   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    70   0.07850  1.0 1.0
   45    43    47    70  -0.03950 -1.0 2.0
   45    43    47    70   0.67350  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    52   0.02550  1.0 1.0
   45    43    47    52  -0.02600 -1.0 2.0
   45    43    47    52   1.20400  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    56   0.47050  1.0 1.0
   45    49    53    56   0.03900 -1.0 2.0
   45    49    53    56   0.20100  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   49    53    56    57   0.07850  1.0 1.0
   49    53    56    57  -0.03950 -1.0 2.0
   49    53    56    57   0.67350  1.0 3.0
   49    53    56    66   0.02550  1.0 1.0
   49    53    56    66  -0.02600 -1.0 2.0
   49    53    56    66   1.20400  1.0 3.0
   49    53    56    59   0.56750  1.0 1.0
   49    53    56    59  -0.07550 -1.0 2.0
   49    53    56    59   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   53    56    57    58   0.15000  1.0 3.0
   53    56    57    63   0.56750  1.0 1.0
   53    56    57    63  -0.07550 -1.0 2.0
   53    56    57    63   0.20000  1.0 3.0
   53    56   -57    66   0.02550  1.0 1.0
   53    56   -57    66  -0.02600 -1.0 2.0
   53    56   -57    66   1.20400  1.0 3.0
   53    56   -66    57   0.06250  1.0 1.0
   53    56   -66    57  -0.01100 -1.0 2.0
   53    56   -66    57   0.28050  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61   0.15000  1.0 3.0
   53    56    59    62   0.15000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    66   0.23400  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    66   0.23400  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    57    63    64   0.15000  1.0 3.0
   56    57    63    65   0.15000  1.0 3.0
   56    57    63    67   0.07850  1.0 1.0
   56    57    63    67  -0.03950 -1.0 2.0
   56    57    63    67   0.67350  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   57    63    67    68   0.15000  1.0 3.0
   57    63    67    69   0.15000  1.0 3.0
   57    63    67    70   0.47050  1.0 1.0
   57    63    67    70   0.03900 -1.0 2.0
   57    63    67    70   0.20100  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    67   0.15000  1.0 3.0
   58    57   -66    56   0.36800  1.0 3.0
   63    57   -66    56   0.06250  1.0 1.0
   63    57   -66    56  -0.01100 -1.0 2.0
   63    57   -66    56   0.28050  1.0 3.0
   63    67    70    47   0.07850  1.0 1.0
   63    67    70    47  -0.03950 -1.0 2.0
   63    67    70    47   0.67350  1.0 3.0
   63    67    70    52   0.02550  1.0 1.0
   63    67    70    52  -0.02600 -1.0 2.0
   63    67    70    52   1.20400  1.0 3.0
   63    67    70    71   0.56750  1.0 1.0
   63    67    70    71  -0.07550 -1.0 2.0
   63    67    70    71   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    69   0.15000  1.0 3.0
   65    63    67    70   0.15000  1.0 3.0
   67    70    47    43   0.56750  1.0 1.0
   67    70    47    43  -0.07550 -1.0 2.0
   67    70    47    43   0.20000  1.0 3.0
   67    70    47    48   0.15000  1.0 3.0
   67    70   -47    52   0.02550  1.0 1.0
   67    70   -47    52  -0.02600 -1.0 2.0
   67    70   -47    52   1.20400  1.0 3.0
   67    70   -52    47   0.06250  1.0 1.0
   67    70   -52    47  -0.01100 -1.0 2.0
   67    70   -52    47   0.28050  1.0 3.0
   67    70    71    72   0.15000  1.0 3.0
   67    70    71    73   0.15000  1.0 3.0
   67    70    71    74   0.15000  1.0 3.0
   68    67    70    47   0.15000  1.0 3.0
   68    67    70    52   0.23400  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   69    67    70    47   0.15000  1.0 3.0
   69    67    70    52   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.47050  1.0 1.0
   47    43    45    49   0.03900 -1.0 2.0
   47    43    45    49   0.20100  1.0 3.0
   47    70    71    72   0.15000  1.0 3.0
   47    70    71    73   0.15000  1.0 3.0
   47    70    71    74   0.15000  1.0 3.0
   48    47   -52    70   0.36800  1.0 3.0
   52    70   -47    43   0.02550  1.0 1.0
   52    70   -47    43  -0.02600 -1.0 2.0
   52    70   -47    43   1.20400  1.0 3.0
   52    70   -47    48   0.23400  1.0 3.0
   52    70    71    72   0.23400  1.0 3.0
   52    70    71    73   0.23400  1.0 3.0
   52    70    71    74   0.23400  1.0 3.0
   71    70    47    43   0.56750  1.0 1.0
   71    70    47    43  -0.07550 -1.0 2.0
   71    70    47    43   0.20000  1.0 3.0
   71    70    47    48   0.15000  1.0 3.0
   71    70   -47    52   0.02550  1.0 1.0
   71    70   -47    52  -0.02600 -1.0 2.0
   71    70   -47    52   1.20400  1.0 3.0
   71    70   -52    47   0.06250  1.0 1.0
   71    70   -52    47  -0.01100 -1.0 2.0
   71    70   -52    47   0.28050  1.0 3.0
   66    56   -57    58   0.23400  1.0 3.0
   66    56   -57    63   0.02550  1.0 1.0
   66    56   -57    63  -0.02600 -1.0 2.0
   66    56   -57    63   1.20400  1.0 3.0
   66    56    59    60   0.23400  1.0 3.0
   66    56    59    61   0.23400  1.0 3.0
   66    56    59    62   0.23400  1.0 3.0
   66    57    63    64   0.23400  1.0 3.0
   66    57    63    65   0.23400  1.0 3.0
   66    57    63    67   0.02550  1.0 1.0
   66    57    63    67  -0.02600 -1.0 2.0
   66    57    63    67   1.20400  1.0 3.0
   59    56    57    58   0.15000  1.0 3.0
   59    56    57    63   0.56750  1.0 1.0
   59    56    57    63  -0.07550 -1.0 2.0
   59    56    57    63   0.20000  1.0 3.0
   59    56   -57    66   0.02550  1.0 1.0
   59    56   -57    66  -0.02600 -1.0 2.0
   59    56   -57    66   1.20400  1.0 3.0
   59    56   -66    57   0.06250  1.0 1.0
   59    56   -66    57  -0.01100 -1.0 2.0
   59    56   -66    57   0.28050  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
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
