* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    188     373
    1     0 S   NP   _N1_     1    29.00796    97.46840   -22.95412
    2     1 S   H    _HN1     2     1.02784   110.21771  -113.76591
    3     1 S   H    _H1_     3     1.02950    64.97713   -12.28500
    4     1 S   H    _H2_     4     1.02830    43.64315   151.17508
    5     1 S   CT   _CA1     5     1.50123   136.12383    81.71127
    6     5 S   HC   _HA1     6     1.09571   105.18672   102.94207
    7     5 S   CO3  _C1_     7     1.53792   112.46006   -17.30813
    8     7 S   O2Z  _O11     8     1.26380   114.99508   -41.81516
    9     7 S   O2Z  _O12     9     1.26233   114.95645   137.28965
   10     5 S   CT   _CB1    10     1.53081   107.43158  -139.02225
   11    10 S   HC   HB11    11     1.09834   109.41349   -49.11199
   12    10 S   HC   HB12    12     1.09811   110.44033    67.51580
   13    10 S   CT   _CG1    13     1.52990   112.59024  -170.04489
   14    13 S   HC   HG11    14     1.09574   110.69475   -65.92917
   15    13 S   HC   HG12    15     1.09681   109.74641    53.29319
   16    13 S   C    _CD1    16     1.51795   112.15386   173.82543
   17    16 S   O    _OE1    17     1.22745   123.36286    10.04812
   18    16 S   N    _N2_    18     1.38591   111.71302  -170.03482
   19    18 S   H    _HN2    19     1.01593   119.11235    -0.16193
   20    18 S   CT1  _CA2    20     1.46087   122.78469   177.85251
   21    20 S   HC   _HA2    21     1.09745   108.37876    32.66131
   22    20 S   C    _C2_    22     1.53398   110.58634   -83.74201
   23    22 S   O    _O2_    23     1.23147   120.97866   163.79570
   24    20 S   CT   _CB2    32     1.53295   111.49903   155.20587
   25    24 S   HC   HB21    33     1.09371   109.81363    54.51065
   26    24 S   HC   HB22    34     1.09498   109.96256   173.31088
   27    22 S   N    _N3_    24     1.38034   114.83946   -21.73259
   28    27 S   H    _HN3    25     1.01549   119.41734     4.99689
   29    24 S   S    _SG2    35     1.83095   110.99175   -66.71239
   30    27 S   CT   _CA3    26     1.45246   123.21412  -178.43527
   31    30 S   HC   HA31    27     1.09549   107.96895   -54.11544
   32    30 S   HC   HA32    28     1.09518   107.55780    62.17867
   33    29 S   CT   _C13    36     1.82898   100.94675   168.78925
   34    33 S   HC   _H3_    37     1.09631   107.59850   175.75905
   35    30 S   CO3  _C3_    29     1.52928   113.92422  -175.48690
   36    35 S   O2Z  _O31    30     1.26395   115.92659    15.56103
   37    35 S   O2Z  _O32    31     1.26412   114.52653  -164.77799
   38    33 S   CM   _C5_    38     1.49324   111.18674    57.89316
   39    38 S   HC   _H21    39     1.09050   115.89886    57.79349
   40    38 S   CMA  _C7_    40     1.34956   125.87247  -123.05015
   41    40 S   OM   _O17    41     1.26010   128.11628  -179.97202
   42    40 S   CM   _C6_    42     1.48440   118.29066    -0.30519
   43    42 S   CM   _C4_    43     1.34742   121.40361    -1.55356
   44    43 S   HC   _H20    44     1.08526   121.80320  -179.87967
   45    42 S   CT   _C17    47     1.53037   122.10065   178.67707
   46    45 S   HC   _H34    48     1.09644   111.94552    32.97410
   47    45 S   HC   _H35    49     1.09503   108.92705   146.93043
   48    33 S   CO4  _C8_    45     1.51608   109.73075   -68.64350
   49    48 S   O    _O18    46     1.23146   122.44102   -55.58652
   50    45 S   CM   _C9_    50     1.50725   111.38057   -89.57292
   51    50 S   HC   _H22    51     1.09050   113.95540    62.47522
   52    50 S   CM   _C11    52     1.34845   128.55107  -116.24627
   53    52 S   CT   _C14    53     1.50345   125.23449    -2.81355
   54    53 S   HC   _H25    54     1.09298   110.81692   117.40591
   55    53 S   HC   _H26    55     1.09126   113.72135    -3.32343
   56    53 S   HC   _H27    56     1.09535   109.93686  -123.02970
   57    52 S   CT   _C19    57     1.51854   119.32199   178.44329
   58    57 S   HC   _H38    58     1.09872   108.80454    35.66471
   59    57 S   HC   _H39    59     1.09753   110.15694   150.44957
   60    57 S   CT   _C18    60     1.53496   113.61858   -84.72019
   61    60 S   HC   _H36    61     1.09452   110.50183    50.81304
   62    60 S   HC   _H37    62     1.09799   108.11254   165.41858
   63    60 S   CM   _C10    63     1.50338   113.50082   -76.25005
   64    63 S   HC   _H23    64     1.08948   113.96639   -73.32535
   65    63 S   CM   _C12    65     1.34674   127.99560   108.33850
   66    65 S   CT   _C15    66     1.50518   120.44986   178.05248
   67    66 S   HC   _H28    67     1.09494   110.25732   119.44263
   68    66 S   HC   _H29    68     1.09506   112.42365    -0.69352
   69    66 S   HC   _H30    69     1.09499   110.20917  -120.74286
   70    65 S   CT   _C16    70     1.50158   125.23066    -2.60181
   71    70 S   HC   _H31    71     1.09443   110.20024   118.94823
   72    70 S   HC   _H32    72     1.09525   110.02872  -121.80345
   73    70 S   HC   _H33    73     1.09088   113.38376    -1.97615
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  10   6   2   1   1   8   4   9   3  10   7   3   8   4   3   1
   1  10   3  11   7   3   2   1   8   5   4   7   4   3  10   3
   8   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    48    49  
   38    39    40    43    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    45  
   40    41    42    48  
   41    42    43    44    48    45    46    47    50  
   42    43    45  
   43    44    48    49    45    46    47    50    51    52  
   44    48    49    45    46    47    50  
   48    49    45  
   46    47    50    51    52    53    57    48  
   47    50    51    52  
   50    51    52  
   49  
    0  
   51    52    53    54    55    56    57    58    59    60  
   52    53    57  
   53    54    55    56    57    58    59    60    61    62    63  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60    61    62    63    64    65  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    70  
   62    63    64    65  
   63    64    65  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   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    48   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    45   317.000  1.510
   43    44   340.000  1.080
   43    48   320.000  1.462
   48    49   570.000  1.229
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   317.000  1.510
   52    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    70   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    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    48    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    43    65.00000  118.62400
   33    48    49    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    45    70.00000  124.00000
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  120.00000
   42    43    48    65.00000  118.96000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    50    70.00000  110.12100
   43    48    49    80.00000  123.72100
   48    33    34    35.00000  109.50000
   48    33    38    70.00000  109.06800
   48    43    44    40.00000  117.72500
   45    42    43    70.00000  124.00000
   45    50    51    35.00000  117.00000
   45    50    52    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    57    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    52    53    65.00000  117.92700
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    70    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    43   0.65300  1.0 1.0
   29    33    48    43  -0.03850 -1.0 2.0
   29    33    48    43   0.33900  1.0 3.0
   29    33    48    49   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.00000  1.0 1.0
   34    33    48    49   0.00000  1.0 1.0
   38    33    48    43   0.65300  1.0 1.0
   38    33    48    43  -0.03850 -1.0 2.0
   38    33    48    43   0.33900  1.0 3.0
   38    33    48    49   0.30150 -1.0 2.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    48   7.00000 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    47   0.00000  1.0 1.0
   40    42    45    50  -0.28300  1.0 1.0
   40    42    45    50   0.26700 -1.0 2.0
   40    42    45    50  -0.63300  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -48    33  -0.33500  1.0 1.0
   42    43   -48    33   1.06600 -1.0 2.0
   42    43   -48    33  -0.14000  1.0 3.0
   42    43    48    49   1.00000 -1.0 2.0
   42    45    50    51   0.00000  1.0 1.0
   42    45    50    52  -0.28300  1.0 1.0
   42    45    50    52   0.26700 -1.0 2.0
   42    45    50    52  -0.63300  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    50  -0.28300  1.0 1.0
   43    42    45    50   0.26700 -1.0 2.0
   43    42    45    50  -0.63300  1.0 3.0
   44    43    48    33   0.04550  1.0 1.0
   44    43    48    33   0.83000 -1.0 2.0
   44    43    48    33  -0.04000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40  -0.51250  1.0 1.0
   48    33   -38    40  -0.88800 -1.0 2.0
   48    33   -38    40   0.08850  1.0 3.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    48   7.00000 -1.0 2.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    57   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    52   0.00000  1.0 1.0
   47    45    50    51   0.33100  1.0 3.0
   47    45    50    52   0.00000  1.0 1.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    56   0.00000  1.0 1.0
   50    52    57    58   0.00000  1.0 1.0
   50    52    57    59   0.00000  1.0 1.0
   50    52    57    60   0.09850  1.0 1.0
   50    52    57    60   0.15250 -1.0 2.0
   50    52    57    60  -0.50650  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    57   7.00000 -1.0 2.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57    60    63   0.31000  1.0 1.0
   52    57    60    63   0.14700 -1.0 2.0
   52    57    60    63   0.07550  1.0 3.0
   53    52    57    58   0.34800  1.0 3.0
   53    52    57    59   0.34800  1.0 3.0
   53    52    57    60   0.46850  1.0 1.0
   53    52    57    60   0.08550 -1.0 2.0
   53    52    57    60   0.09800  1.0 3.0
   57    52    53    54   0.34800  1.0 3.0
   57    52    53    55   0.34800  1.0 3.0
   57    52    53    56   0.34800  1.0 3.0
   57    60    63    64   0.00000  1.0 1.0
   57    60    63    65   0.09850  1.0 1.0
   57    60    63    65   0.15250 -1.0 2.0
   57    60    63    65  -0.50650  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63    65    70   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    69   0.00000  1.0 1.0
   63    65    70    71   0.00000  1.0 1.0
   63    65    70    72   0.00000  1.0 1.0
   63    65    70    73   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    70   7.00000 -1.0 2.0
   66    65    70    71   0.34800  1.0 3.0
   66    65    70    72   0.34800  1.0 3.0
   66    65    70    73   0.34800  1.0 3.0
   70    65    66    67   0.34800  1.0 3.0
   70    65    66    68   0.34800  1.0 3.0
   70    65    66    69   0.34800  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    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   33    43    48    49  10.50000 -1.0 2.0
   45    51    50    52  15.00000 -1.0 2.0
   53    57    52    50  15.00000 -1.0 2.0
   60    64    63    65  15.00000 -1.0 2.0
   66    70    65    63  15.00000 -1.0 2.0
END
