* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    225     425
    1     0 S   NP   _N1_     1    28.94986    93.74685   -20.01070
    2     1 S   H    _HN1     2     1.02782    83.18327   -64.97407
    3     1 S   H    _H1_     3     1.02973   103.80462    42.21896
    4     1 S   H    _H2_     4     1.02837    27.93564   142.72548
    5     1 S   CT   _CA1     5     1.50099   134.50924  -179.57896
    6     5 S   HC   _HA1     6     1.09574   105.31059    41.47663
    7     5 S   CO3  _C1_     7     1.53851   112.28720   -78.79089
    8     7 S   O2Z  _O11     8     1.26348   115.08128   -46.77614
    9     7 S   O2Z  _O12     9     1.26238   114.91126   132.55808
   10     5 S   CT   _CB1    10     1.53082   107.37866   159.32634
   11    10 S   HC   HB11    11     1.09817   109.44557   -51.56267
   12    10 S   HC   HB12    12     1.09821   110.30926    64.89292
   13    10 S   CT   _CG1    13     1.53017   112.71227  -172.78093
   14    13 S   HC   HG11    14     1.09576   110.20624   -58.21259
   15    13 S   HC   HG12    15     1.09599   110.33164    60.97197
   16    13 S   C    _CD1    16     1.51776   111.88746  -178.82148
   17    16 S   O    _OE1    17     1.22730   123.05022   -18.68418
   18    16 S   N    _N2_    18     1.38553   111.78857   161.89789
   19    18 S   H    _HN2    19     1.01574   119.08382     2.61898
   20    18 S   CT1  _CA2    20     1.46261   123.43745  -174.82180
   21    20 S   HC   _HA2    21     1.09727   109.41931   -16.41590
   22    20 S   C    _C2_    22     1.53358   108.12050  -132.29280
   23    22 S   O    _O2_    23     1.22996   122.38694  -144.33879
   24    20 S   CT   _CB2    32     1.53675   111.10164   105.67612
   25    24 S   HC   HB21    33     1.09278   109.21761    55.55352
   26    24 S   HC   HB22    34     1.09487   110.16280   174.02047
   27    22 S   N    _N3_    24     1.38556   113.23570    42.91627
   28    27 S   H    _HN3    25     1.01535   118.87369    -0.42842
   29    24 S   S    _SG2    35     1.82949   111.29633   -66.73573
   30    27 S   CT   _CA3    26     1.45441   123.38687   175.14223
   31    30 S   HC   HA31    27     1.09528   109.13994    26.03990
   32    30 S   HC   HA32    28     1.09492   107.13933   143.03535
   33    29 S   CT   _C15    36     1.88836   103.13368   158.36310
   34    30 S   CO3  _C3_    29     1.52937   113.21329   -97.36624
   35    34 S   O2Z  _O31    30     1.26395   115.45481   -43.12760
   36    34 S   O2Z  _O32    31     1.26363   114.94812   137.82193
   37    33 S   CM   _C13    37     1.54617   105.65036   161.34183
   38    33 S   CT   _C16    71     1.53822   109.09853    39.04925
   39    38 S   HC   _H18    72     1.09498   111.57148   -78.54745
   40    38 S   HC   _H19    73     1.09328   112.40455   161.67051
   41    38 S   HC   _H20    74     1.09584   112.48122    42.41083
   42    37 S   CT   _C12    38     1.53396   109.94946   110.21589
   43    42 S   HC   _H5_    39     1.09351   111.39994  -138.63061
   44    37 S   CMA  _C14    68     1.35310   127.73942   -68.97923
   45    44 S   OM   _O33    69     1.25903   133.55582    -1.33677
   46    44 S   HC   _H17    70     1.09108   112.00125   178.31321
   47    42 S   CT   _C11    40     1.53906   102.92194   -20.22891
   48    47 S   HC   _H4_    41     1.09885   111.25325   157.97332
   49    33 S   CT   _C10    42     1.58474   113.48437   -89.02645
   50    47 S   CO4  _C17    65     1.52322   113.73924   -85.50874
   51    50 S   O    _O34    66     1.22730   124.72840   -13.87334
   52    50 S   HC   _H21    67     1.10246   115.43344   171.19703
   53    49 S   CT   _C9_    43     1.57097   112.67700   167.70765
   54    53 S   HC   _H15    44     1.09700   110.57674   -66.80266
   55    53 S   HC   _H16    45     1.09960   108.32527   178.24041
   56    49 S   CT   _C18    61     1.53688   115.92559    45.25248
   57    56 S   HC   _H22    62     1.09149   113.38119   -57.25092
   58    56 S   HC   _H23    63     1.09657   110.73697  -176.70776
   59    56 S   HC   _H24    64     1.09506   110.97022    64.35572
   60    53 S   CT   _C8_    46     1.53597   115.93546    57.96925
   61    60 S   HC   _H13    47     1.09679   107.91182   160.08383
   62    60 S   HC   _H14    48     1.09523   109.57180   -85.46676
   63    42 S   CT   _C7_    49     1.55875   112.67931    95.61324
   64    63 S   HC   _H3_    50     1.10035   106.86220  -166.89510
   65    63 S   CT   _C5_    51     1.55992   114.71289    75.56307
   66    65 S   HC   _H9_    52     1.09605   109.41678   -62.59051
   67    65 S   CT   _C4_    53     1.53398   112.11394    57.23683
   68    67 S   HC   _H6_    54     1.09524   111.15100    55.28577
   69    67 S   HC   _H7_    55     1.09303   111.87078   -65.85816
   70    67 S   HC   _H8_    56     1.09568   110.83540   175.24589
   71    65 S   CT   _C6_    57     1.53591   111.91382   179.07740
   72    71 S   HC   _H10    58     1.09520   111.21471   -55.66861
   73    71 S   HC   _H11    59     1.09564   110.87264  -175.78411
   74    71 S   HC   _H12    60     1.09412   111.49080    65.41157
  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  12   5   4   3
  23   2   1   1  19   9   3   2   1  21   9   5   1   1  16   7
  14   5   1   1  12   6   5   4   2   1   1   8   4   3  11   4
   9   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    49    53    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    53    54    55    60    63    56    57    58    59    50    44    45    46    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    53    60    63    64    65    56    50    44    45    46    38    39    40    41  
   39    40    41    42    44    47    49    53    56  
   40    41    49  
   41    49  
   49  
   43    47    48    49    53    60    61    62    63    64    65    66    67    71    56    50    51    52    44    45    46  
   47    48    49    60    63    64    65    50    44  
   45    46    47    49    63  
   46  
    0  
   48    49    53    54    55    60    63    64    65    56    57    58    59    50    51    52  
   49    53    63    56    50    51    52  
   53    54    55    60    61    62    63    56    57    58    59    50    51    52  
   51    52    53    56    63  
   52  
    0  
   54    55    60    61    62    63    64    65    56    57    58    59  
   55    60    61    62    63    56  
   60    61    62    63    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    71  
   62    63    64    65  
   63    64    65  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    71  
   66    67    68    69    70    71    72    73    74  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.180000   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   3.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    49   268.000  1.529
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    63   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   317.000  1.522
   49    53   268.000  1.529
   49    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    71   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   50    51   570.000  1.229
   50    52   340.000  1.090
   44    45   745.000  1.250
   44    46   335.000  1.111
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    49    47    58.35000  112.70000
   33    49    53    58.35000  112.70000
   33    49    56    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    47    70.00000  112.02700
   37    42    63    70.00000  112.02700
   37    44    45    65.00000  137.10300
   37    44    46    45.00000  105.30000
   42    47    48    37.50000  110.70000
   42    47    49    58.35000  112.70000
   42    47    50    63.00000  111.10000
   42    63    60    58.35000  112.70000
   42    63    64    37.50000  110.70000
   42    63    65    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    49    56    58.35000  112.70000
   47    50    51    80.00000  120.40000
   47    50    52    35.00000  115.00000
   49    33    37    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    60    58.35000  112.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    42    43    37.50000  110.70000
   63    42    47    58.35000  112.70000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    58.35000  112.70000
   63    65    71    58.35000  112.70000
   65    63    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   67    65    66    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   56    49    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    63.00000  111.10000
   52    50    51    35.00000  123.00000
   44    37    42    70.00000  124.00000
   46    44    45    50.00000  124.16400
   38    33    37    70.00000  112.02700
   38    33    49    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   29    33    49    56   0.44750  1.0 1.0
   29    33    49    56  -0.17800 -1.0 2.0
   29    33    49    56   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37   -42    47   0.46850  1.0 1.0
   33    37   -42    47   0.08550 -1.0 2.0
   33    37   -42    47   0.09800  1.0 3.0
   33    37    42    63   0.46850  1.0 1.0
   33    37    42    63   0.08550 -1.0 2.0
   33    37    42    63   0.09800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    46   7.00000 -1.0 2.0
   33    49    53    54   0.15000  1.0 3.0
   33    49    53    55   0.15000  1.0 3.0
   33    49    53    60   0.56750  1.0 1.0
   33    49    53    60  -0.07550 -1.0 2.0
   33    49    53    60   0.20000  1.0 3.0
   33    49    56    57   0.15000  1.0 3.0
   33    49    56    58   0.15000  1.0 3.0
   33    49    56    59   0.15000  1.0 3.0
   37    33   -49    47   0.34400  1.0 1.0
   37    33   -49    47   0.09450 -1.0 2.0
   37    33   -49    47   0.11100  1.0 3.0
   37    33    49    53   0.34400  1.0 1.0
   37    33    49    53   0.09450 -1.0 2.0
   37    33    49    53   0.11100  1.0 3.0
   37    33    49    56   0.34400  1.0 1.0
   37    33    49    56   0.09450 -1.0 2.0
   37    33    49    56   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.15000  1.0 3.0
   37    42   -47    49   0.34400  1.0 1.0
   37    42   -47    49   0.09450 -1.0 2.0
   37    42   -47    49   0.11100  1.0 3.0
   37    42    47    50  -0.98800  1.0 1.0
   37    42    47    50   0.48800 -1.0 2.0
   37    42    47    50   0.76800  1.0 3.0
   37    42    63    60   0.34400  1.0 1.0
   37    42    63    60   0.09450 -1.0 2.0
   37    42    63    60   0.11100  1.0 3.0
   37    42    63    64   0.15000  1.0 3.0
   37    42    63    65   0.34400  1.0 1.0
   37    42    63    65   0.09450 -1.0 2.0
   37    42    63    65   0.11100  1.0 3.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    46   7.00000 -1.0 2.0
   42    47   -49    33   0.56750  1.0 1.0
   42    47   -49    33  -0.07550 -1.0 2.0
   42    47   -49    33   0.20000  1.0 3.0
   42    47    49    53   0.56750  1.0 1.0
   42    47    49    53  -0.07550 -1.0 2.0
   42    47    49    53   0.20000  1.0 3.0
   42    47    49    56   0.56750  1.0 1.0
   42    47    49    56  -0.07550 -1.0 2.0
   42    47    49    56   0.20000  1.0 3.0
   42    47    50    51   0.30150 -1.0 2.0
   42    47    50    52   0.74550  1.0 1.0
   42    47    50    52  -0.00500 -1.0 2.0
   42    63    65    66   0.15000  1.0 3.0
   42    63    65    67   0.56750  1.0 1.0
   42    63    65    67  -0.07550 -1.0 2.0
   42    63    65    67   0.20000  1.0 3.0
   42    63    65    71   0.56750  1.0 1.0
   42    63    65    71  -0.07550 -1.0 2.0
   42    63    65    71   0.20000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50  -0.11250  1.0 3.0
   43    42    63    60   0.15000  1.0 3.0
   43    42    63    64   0.15000  1.0 3.0
   43    42    63    65   0.15000  1.0 3.0
   47    42    63    60   0.56750  1.0 1.0
   47    42    63    60  -0.07550 -1.0 2.0
   47    42    63    60   0.20000  1.0 3.0
   47    42    63    64   0.15000  1.0 3.0
   47    42    63    65   0.56750  1.0 1.0
   47    42    63    65  -0.07550 -1.0 2.0
   47    42    63    65   0.20000  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    49   -53    60   0.56750  1.0 1.0
   47    49   -53    60  -0.07550 -1.0 2.0
   47    49   -53    60   0.20000  1.0 3.0
   47    49    56    57   0.15000  1.0 3.0
   47    49    56    58   0.15000  1.0 3.0
   47    49    56    59   0.15000  1.0 3.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    49    56   0.15000  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    33   -37    42   0.46850  1.0 1.0
   49    33   -37    42   0.08550 -1.0 2.0
   49    33   -37    42   0.09800  1.0 3.0
   49    33    37    44   0.09850  1.0 1.0
   49    33    37    44   0.15250 -1.0 2.0
   49    33    37    44  -0.50650  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33    38    41   0.15000  1.0 3.0
   49    47    50    51   0.30150 -1.0 2.0
   49    47    50    52   0.74550  1.0 1.0
   49    47    50    52  -0.00500 -1.0 2.0
   49    53    60    61   0.15000  1.0 3.0
   49    53    60    62   0.15000  1.0 3.0
   49    53    60    63   0.56750  1.0 1.0
   49    53    60    63  -0.07550 -1.0 2.0
   49    53    60    63   0.20000  1.0 3.0
   53    49    56    57   0.15000  1.0 3.0
   53    49    56    58   0.15000  1.0 3.0
   53    49    56    59   0.15000  1.0 3.0
   53    60   -63    42   0.56750  1.0 1.0
   53    60   -63    42  -0.07550 -1.0 2.0
   53    60   -63    42   0.20000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    65   0.56750  1.0 1.0
   53    60    63    65  -0.07550 -1.0 2.0
   53    60    63    65   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.56750  1.0 1.0
   60    63    65    67  -0.07550 -1.0 2.0
   60    63    65    67   0.20000  1.0 3.0
   60    63    65    71   0.56750  1.0 1.0
   60    63    65    71  -0.07550 -1.0 2.0
   60    63    65    71   0.20000  1.0 3.0
   61    60    63    42   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   62    60    63    42   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   63    42    47    48   0.15000  1.0 3.0
   63    42   -47    49   0.56750  1.0 1.0
   63    42   -47    49  -0.07550 -1.0 2.0
   63    42   -47    49   0.20000  1.0 3.0
   63    42    47    50  -0.95700  1.0 1.0
   63    42    47    50  -0.18200 -1.0 2.0
   63    42    47    50   0.29450  1.0 3.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    69   0.15000  1.0 3.0
   63    65    67    70   0.15000  1.0 3.0
   63    65    71    72   0.15000  1.0 3.0
   63    65    71    73   0.15000  1.0 3.0
   63    65    71    74   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    71   0.15000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    74   0.15000  1.0 3.0
   71    65    67    68   0.15000  1.0 3.0
   71    65    67    69   0.15000  1.0 3.0
   71    65    67    70   0.15000  1.0 3.0
   56    49    53    54   0.15000  1.0 3.0
   56    49    53    55   0.15000  1.0 3.0
   56    49    53    60   0.56750  1.0 1.0
   56    49    53    60  -0.07550 -1.0 2.0
   56    49    53    60   0.20000  1.0 3.0
   50    47    49    33  -0.95700  1.0 1.0
   50    47    49    33  -0.18200 -1.0 2.0
   50    47    49    33   0.29450  1.0 3.0
   50    47    49    53  -0.95700  1.0 1.0
   50    47    49    53  -0.18200 -1.0 2.0
   50    47    49    53   0.29450  1.0 3.0
   50    47    49    56  -0.95700  1.0 1.0
   50    47    49    56  -0.18200 -1.0 2.0
   50    47    49    56   0.29450  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    47   0.09850  1.0 1.0
   44    37    42    47   0.15250 -1.0 2.0
   44    37    42    47  -0.50650  1.0 3.0
   44    37    42    63   0.09850  1.0 1.0
   44    37    42    63   0.15250 -1.0 2.0
   44    37    42    63  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    49    47   0.56750  1.0 1.0
   38    33    49    47  -0.07550 -1.0 2.0
   38    33    49    47   0.20000  1.0 3.0
   38    33    49    53   0.56750  1.0 1.0
   38    33    49    53  -0.07550 -1.0 2.0
   38    33    49    53   0.20000  1.0 3.0
   38    33    49    56   0.56750  1.0 1.0
   38    33    49    56  -0.07550 -1.0 2.0
   38    33    49    56   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   47    52    50    51  10.50000 -1.0 2.0
   45    46    44    37   1.10000 -1.0 2.0
END
