* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    228     416
    1     0 S   NP   _N1_     1    28.68529    96.85502   -23.36763
    2     1 S   H    _HN1     2     1.02786   105.16437   -90.93077
    3     1 S   H    _H1_     3     1.02949    68.89264    13.27019
    4     1 S   H    _H2_     4     1.02828    41.47644   169.04749
    5     1 S   CT   _CA1     5     1.50113   140.03756   110.21905
    6     5 S   HC   _HA1     6     1.09573   105.19181    96.52822
    7     5 S   CO3  _C1_     7     1.53784   112.47780   -23.69974
    8     7 S   O2Z  _O11     8     1.26371   115.00581   -42.29797
    9     7 S   O2Z  _O12     9     1.26242   114.94603   136.83804
   10     5 S   CT   _CB1    10     1.53079   107.41952  -145.49311
   11    10 S   HC   HB11    11     1.09833   109.35661   -49.77788
   12    10 S   HC   HB12    12     1.09812   110.45311    66.82761
   13    10 S   CT   _CG1    13     1.52990   112.61060  -170.75941
   14    13 S   HC   HG11    14     1.09581   110.63251   -65.93366
   15    13 S   HC   HG12    15     1.09671   109.77852    53.29579
   16    13 S   C    _CD1    16     1.51802   112.22704   173.74116
   17    16 S   O    _OE1    17     1.22728   123.28578     7.14120
   18    16 S   N    _N2_    18     1.38661   111.67069  -172.88975
   19    18 S   H    _HN2    19     1.01575   118.90179     1.80363
   20    18 S   CT1  _CA2    20     1.46187   123.39710   177.29022
   21    20 S   HC   _HA2    21     1.09734   109.38700     3.78061
   22    20 S   C    _C2_    22     1.53570   108.57735  -111.74414
   23    22 S   O    _O2_    23     1.23065   122.27263  -147.22703
   24    20 S   CT   _CB2    32     1.53318   111.60813   125.85001
   25    24 S   HC   HB21    33     1.09593   110.12191    56.07147
   26    24 S   HC   HB22    34     1.09480   109.97205   175.12344
   27    22 S   N    _N3_    24     1.38322   113.72287    40.14564
   28    27 S   H    _HN3    25     1.01579   119.60611    -3.14423
   29    24 S   S    _SG2    35     1.82837   111.59001   -64.86011
   30    27 S   CT   _CA3    26     1.45287   123.22120   177.20565
   31    30 S   HC   HA31    27     1.09549   107.49703   -64.94524
   32    30 S   HC   HA32    28     1.09556   108.00215    51.49841
   33    29 S   CT   _C10    36     1.82973    99.63735   174.99680
   34    33 S   HC   _H3_    37     1.09785   105.82210   -51.99513
   35    30 S   CO3  _C3_    29     1.52964   114.07458   173.50535
   36    35 S   O2Z  _O31    30     1.26377   116.07016    -0.71354
   37    35 S   O2Z  _O32    31     1.26428   114.41172   179.34868
   38    33 S   CM   _C5_    38     1.49260   112.16579    67.54487
   39    33 S   CT   _C15    58     1.55946   111.30477  -168.66464
   40    39 S   HC   _H32    59     1.09367   110.77196   -48.68120
   41    38 S   CM   _C4_    39     1.33318   126.62379  -133.54359
   42    41 S   HC   _H23    40     1.08153   124.39663     8.88869
   43    39 S   OH   _O21    60     1.43089   109.67540    68.59200
   44    43 S   HO   _H39    61     0.97208   108.30638    58.96269
   45    41 S   CT   _C9_    41     1.47757   111.15506  -160.42245
   46    45 S   HC   _H26    42     1.09517   109.89341  -118.97795
   47    45 S   CT   _C12    43     1.55152   115.82998   114.18921
   48    47 S   HC   _H29    44     1.09958   109.06232  -142.15147
   49    45 S   OS   _O18    71     1.43476   103.40950    -5.74297
   50    47 S   CT   _C11    45     1.53611   110.36193    98.55114
   51    50 S   HC   _H28    46     1.09684   111.12586   -43.60329
   52    38 S   CO4  _C6_    72     1.46866   125.77041    60.49521
   53    52 S   O    _O16    73     1.21807   126.17938   -16.49744
   54    50 S   CO4  _C7_    47     1.50246   102.82405  -158.31381
   55    54 S   O    _O17    48     1.22086   126.16654  -161.63668
   56    50 S   CT   _C17    67     1.52170   113.07111    81.35548
   57    56 S   HC   _H33    68     1.09573   111.40306    59.39543
   58    56 S   HC   _H34    69     1.09393   111.46093   -61.57664
   59    56 S   HC   _H35    70     1.09549   110.59572   178.50315
   60    54 S   OS   _O19    49     1.36139   109.49481    19.88838
   61    47 S   CT   _C13    50     1.54352   118.93890   -17.53784
   62    61 S   HC   _H30    51     1.09406   112.32951    40.56840
   63    61 S   CT   _C8_    52     1.53711   118.26516   -89.82367
   64    63 S   HC   _H24    53     1.09928   108.24152  -161.92667
   65    63 S   HC   _H25    54     1.09822   108.90092   -49.42179
   66    63 S   C3T  _C16    55     1.50983   116.01147    75.72542
   67    66 S   C3T  _C14    56     1.54052   118.58287    53.72381
   68    67 S   HC   _H31    57     1.08356   119.45313    -2.14229
   69    66 S   CT   _C18    63     1.50463   114.87658  -115.69002
   70    69 S   HC   _H36    64     1.09187   113.21072   173.60815
   71    69 S   HC   _H37    65     1.09338   110.96167    51.54284
   72    69 S   HC   _H38    66     1.09607   109.75578   -66.69040
   73    66 S   O3T  _O20    62     1.45068   114.30195   117.45217
  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
  16   7   2   1   1  12  11   6  10   5   5   1  14   6  18   9
   4  11   8   1   1   9   3   5   2   1   1   6   8   4  10   5
   4   7   6   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    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    67    39    40    43    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    66    67    68    39    40    43    44    73    49    52    53  
   38    41    67    39    40    43    52  
   36    37  
   37  
    0  
   41    42    45    46    47    67    39    40    43    49    52    53  
   40    43    44    73    69    52    41    63    66    67    68  
   43    44    73    66    67    68  
   42    45    46    47    48    50    61    49    52    53  
   45    46    47    49    52  
   44    73    66    67    68  
   67  
   46    47    48    50    51    54    60    61    62    63    56    49    52    53  
   47    48    50    61    49    52  
   48    50    51    54    55    60    61    62    63    64    65    66    56    57    58    59    49    52  
   50    51    54    60    61    62    63    56    49  
   52    53    50    61  
   51    54    55    60    61    62    63    56    57    58    59  
   54    55    60    61    56    57    58    59  
   53  
    0  
   55    60    61    62    63    56    57    58    59  
   60    61    56  
   57    58    59    60    61  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67    73    69  
   63    64    65    66  
   64    65    66    67    68    73    69    70    71    72  
   65    66    67    73    69  
   66    67    73    69  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   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
   73   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   549.000  1.340
   38    52   320.000  1.462
   41    42   340.000  1.080
   41    45   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    61   268.000  1.529
   50    51   340.000  1.090
   50    54   317.000  1.522
   50    56   268.000  1.529
   54    55   570.000  1.229
   54    60   214.000  1.327
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   275.000  1.510
   66    67   260.000  1.509
   66    73   335.000  1.432
   66    69   275.000  1.510
   67    68   340.000  1.088
   67    39   275.000  1.510
   67    73   335.000  1.432
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   49    52   214.000  1.327
   52    53   570.000  1.229
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    70.00000  124.00000
   33    38    52    65.00000  116.34900
   33    39    67    70.00000  112.37300
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    70.00000  124.00000
   38    52    49    90.00000  111.29400
   38    52    53    80.00000  123.72100
   41    45    46    35.00000  109.50000
   41    45    47    70.00000  112.02700
   41    45    49    85.00000  110.90400
   45    41    42    35.00000  117.00000
   45    47    48    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    47    61    58.35000  112.70000
   45    49    52    83.00000  116.90000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    54    63.00000  111.10000
   47    50    56    58.35000  112.70000
   47    61    60    50.00000  109.50000
   47    61    62    37.50000  110.70000
   47    61    63    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    54    55    80.00000  120.40000
   50    54    60    81.00000  111.40000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   54    50    51    35.00000  109.50000
   54    60    61    83.00000  116.90000
   60    54    55    83.00000  123.40000
   60    61    62    35.00000  109.50000
   60    61    63    50.00000  109.50000
   61    47    48    37.50000  110.70000
   61    47    50    58.35000  112.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    70.00000  112.37300
   63    61    62    37.50000  110.70000
   63    66    67    60.00000  120.94000
   63    66    73    80.00000  116.47100
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    45.00000  109.38400
   66    63    65    45.00000  109.38400
   66    67    68    37.50000  117.20000
   66    67    39    60.00000  120.94000
   66    67    73    15.00000   60.43100
   66    73    67    15.00000   59.14900
   66    69    70    45.00000  109.38400
   66    69    71    45.00000  109.38400
   66    69    72    45.00000  109.38400
   67    39    40    45.00000  109.38400
   67    39    43    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    67    68    40.00000  115.04500
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   73    66    67    15.00000   60.43100
   73    67    68    50.00000  114.27700
   73    67    39    80.00000  116.47100
   69    66    67    60.00000  120.94000
   69    66    73    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    54    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  109.50000
   49    52    53    83.00000  123.40000
   52    38    41    65.00000  118.96000
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   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    52   0.09700  1.0 1.0
   29    33    38    52   0.15600 -1.0 2.0
   29    33    38    52  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    52    49  -0.15000  1.0 1.0
   33    38    52    49   0.89550 -1.0 2.0
   33    38    52    49  -0.06900  1.0 3.0
   33    38    52    53  -0.64400  1.0 1.0
   33    38    52    53   0.26850 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    52   0.15000  1.0 3.0
   34    33    39    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.09850  1.0 1.0
   38    41    45    47   0.15250 -1.0 2.0
   38    41    45    47  -0.50650  1.0 3.0
   38    41   -45    49   0.39000  1.0 1.0
   38    41   -45    49  -0.05800 -1.0 2.0
   38    41   -45    49  -0.55150  1.0 3.0
   41    38   -52    49  -0.56150  1.0 1.0
   41    38   -52    49   2.19150 -1.0 2.0
   41    38    52    53   1.00000 -1.0 2.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    50   0.34400  1.0 1.0
   41    45    47    50   0.09450 -1.0 2.0
   41    45    47    50   0.11100  1.0 3.0
   41    45    47    61   0.34400  1.0 1.0
   41    45    47    61   0.09450 -1.0 2.0
   41    45    47    61   0.11100  1.0 3.0
   41    45   -49    52  -0.82050  1.0 1.0
   41    45   -49    52   0.00600 -1.0 2.0
   41    45   -49    52   0.04400  1.0 3.0
   42    41    45    46   0.33100  1.0 3.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    49   0.00000  1.0 1.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    54  -0.95700  1.0 1.0
   45    47    50    54  -0.18200 -1.0 2.0
   45    47    50    54   0.29450  1.0 3.0
   45    47    50    56   0.56750  1.0 1.0
   45    47    50    56  -0.07550 -1.0 2.0
   45    47    50    56   0.20000  1.0 3.0
   45    47    61    60   0.62750  1.0 1.0
   45    47    61    60  -0.30950 -1.0 2.0
   45    47    61    60   0.27300  1.0 3.0
   45    47    61    62   0.15000  1.0 3.0
   45    47    61    63   0.56750  1.0 1.0
   45    47    61    63  -0.07550 -1.0 2.0
   45    47    61    63   0.20000  1.0 3.0
   45    49   -52    38   2.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    61   0.15000  1.0 3.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52  -0.25900  1.0 1.0
   47    45    49    52  -0.47000 -1.0 2.0
   47    45    49    52   0.11750  1.0 3.0
   47    50    54    55   0.30150 -1.0 2.0
   47    50   -54    60   0.36750  1.0 3.0
   47    50    56    57   0.15000  1.0 3.0
   47    50    56    58   0.15000  1.0 3.0
   47    50    56    59   0.15000  1.0 3.0
   47    61    63    64   0.15000  1.0 3.0
   47    61    63    65   0.15000  1.0 3.0
   47    61    63    66   0.47050  1.0 1.0
   47    61    63    66   0.03900 -1.0 2.0
   47    61    63    66   0.20100  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    54  -0.11250  1.0 3.0
   48    47    50    56   0.15000  1.0 3.0
   48    47    61    60   0.23400  1.0 3.0
   48    47    61    62   0.15000  1.0 3.0
   48    47    61    63   0.15000  1.0 3.0
   50    47   -61    60   0.62750  1.0 1.0
   50    47   -61    60  -0.30950 -1.0 2.0
   50    47   -61    60   0.27300  1.0 3.0
   50    47    61    62   0.15000  1.0 3.0
   50    47    61    63   0.56750  1.0 1.0
   50    47    61    63  -0.07550 -1.0 2.0
   50    47    61    63   0.20000  1.0 3.0
   50    54   -60    61   1.63150  1.0 1.0
   50    54   -60    61   2.92000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    60   0.00000  1.0 1.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   54    50    56    57  -0.11250  1.0 3.0
   54    50    56    58  -0.11250  1.0 3.0
   54    50    56    59  -0.11250  1.0 3.0
   54    60   -61    47  -0.25900  1.0 1.0
   54    60   -61    47  -0.47000 -1.0 2.0
   54    60   -61    47   0.11750  1.0 3.0
   54    60    61    62   0.08050  1.0 3.0
   54    60    61    63  -0.25900  1.0 1.0
   54    60    61    63  -0.47000 -1.0 2.0
   54    60    61    63   0.11750  1.0 3.0
   55    54    60    61   3.00000 -1.0 2.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.23400  1.0 3.0
   60    61    63    66  -0.26800  1.0 1.0
   60    61    63    66   0.69150 -1.0 2.0
   60    61    63    66  -0.48750  1.0 3.0
   61    47    50    51   0.15000  1.0 3.0
   61    47   -50    54  -0.95700  1.0 1.0
   61    47   -50    54  -0.18200 -1.0 2.0
   61    47   -50    54   0.29450  1.0 3.0
   61    47    50    56   0.56750  1.0 1.0
   61    47    50    56  -0.07550 -1.0 2.0
   61    47    50    56   0.20000  1.0 3.0
   61    63    66    67   0.07850  1.0 1.0
   61    63    66    67  -0.03950 -1.0 2.0
   61    63    66    67   0.67350  1.0 3.0
   61    63    66    73   0.02550  1.0 1.0
   61    63    66    73  -0.02600 -1.0 2.0
   61    63    66    73   1.20400  1.0 3.0
   61    63    66    69   0.56750  1.0 1.0
   61    63    66    69  -0.07550 -1.0 2.0
   61    63    66    69   0.20000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   63    66    67    68   0.15000  1.0 3.0
   63    66    67    39   0.56750  1.0 1.0
   63    66    67    39  -0.07550 -1.0 2.0
   63    66    67    39   0.20000  1.0 3.0
   63    66   -67    73   0.02550  1.0 1.0
   63    66   -67    73  -0.02600 -1.0 2.0
   63    66   -67    73   1.20400  1.0 3.0
   63    66   -73    67   0.06250  1.0 1.0
   63    66   -73    67  -0.01100 -1.0 2.0
   63    66   -73    67   0.28050  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    73   0.23400  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    73   0.23400  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    67    39    33   0.07850  1.0 1.0
   66    67    39    33  -0.03950 -1.0 2.0
   66    67    39    33   0.67350  1.0 3.0
   66    67    39    40   0.15000  1.0 3.0
   66    67    39    43   0.86500  1.0 1.0
   66    67    39    43  -0.17500 -1.0 2.0
   66    67    39    43   0.20800  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.23400  1.0 3.0
   68    67   -73    66   0.36800  1.0 3.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    52   0.09700  1.0 1.0
   39    33    38    52   0.15600 -1.0 2.0
   39    33    38    52  -0.50800  1.0 3.0
   39    67   -73    66   0.06250  1.0 1.0
   39    67   -73    66  -0.01100 -1.0 2.0
   39    67   -73    66   0.28050  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   73    66   -67    68   0.23400  1.0 3.0
   73    66   -67    39   0.02550  1.0 1.0
   73    66   -67    39  -0.02600 -1.0 2.0
   73    66   -67    39   1.20400  1.0 3.0
   73    66    69    70   0.23400  1.0 3.0
   73    66    69    71   0.23400  1.0 3.0
   73    66    69    72   0.23400  1.0 3.0
   73    67    39    33   0.02550  1.0 1.0
   73    67    39    33  -0.02600 -1.0 2.0
   73    67    39    33   1.20400  1.0 3.0
   73    67    39    40   0.23400  1.0 3.0
   73    67    39    43   3.69350  1.0 1.0
   73    67    39    43  -1.82950 -1.0 2.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    39   0.56750  1.0 1.0
   69    66    67    39  -0.07550 -1.0 2.0
   69    66    67    39   0.20000  1.0 3.0
   69    66   -67    73   0.02550  1.0 1.0
   69    66   -67    73  -0.02600 -1.0 2.0
   69    66   -67    73   1.20400  1.0 3.0
   69    66   -73    67   0.06250  1.0 1.0
   69    66   -73    67  -0.01100 -1.0 2.0
   69    66   -73    67   0.28050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    60   0.36750  1.0 3.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    50   0.62750  1.0 1.0
   49    45    47    50  -0.30950 -1.0 2.0
   49    45    47    50   0.27300  1.0 3.0
   49    45    47    61   0.62750  1.0 1.0
   49    45    47    61  -0.30950 -1.0 2.0
   49    45    47    61   0.27300  1.0 3.0
   52    38    41    42   7.00000 -1.0 2.0
   52    38   -41    45   7.00000 -1.0 2.0
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    52    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   50    60    54    55  10.50000 -1.0 2.0
   38    49    52    53  10.50000 -1.0 2.0
END
