* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    223     404
    1     0 S   NP   _N1_     1    30.33231    93.66386   -15.99830
    2     1 S   H    _HN1     2     1.03501   138.40992    82.24102
    3     1 S   H    _H1_     3     1.02814    35.35213   113.60856
    4     1 S   H    _H2_     4     1.02742    81.64604   -24.07443
    5     1 S   CT   _CA1     5     1.49739   101.43111  -135.41205
    6     5 S   HC   _HA1     6     1.09585   105.04866    28.48012
    7     5 S   CO3  _C1_     7     1.53799   112.82740   -91.67869
    8     7 S   O2Z  _O11     8     1.26303   115.37554   -50.02508
    9     7 S   O2Z  _O12     9     1.26312   114.76200   129.45509
   10     5 S   CT   _CB1    10     1.53056   107.64066   146.34428
   11    10 S   HC   HB11    11     1.09839   109.67009   -47.29137
   12    10 S   HC   HB12    12     1.09819   110.60595    69.24815
   13    10 S   CT   _CG1    13     1.53003   112.29338  -168.16732
   14    13 S   HC   HG11    14     1.09538   111.18679   -62.01224
   15    13 S   HC   HG12    15     1.09609   110.75417    57.03147
   16    13 S   C    _CD1    16     1.51340   109.85617   176.19646
   17    16 S   O    _OE1    17     1.22845   121.57822   -84.74520
   18    16 S   N    _N2_    18     1.38369   113.07120    93.42633
   19    18 S   H    _HN2    19     1.01568   119.25342     4.76350
   20    18 S   CT1  _CA2    20     1.46271   123.31161  -176.69263
   21    20 S   HC   _HA2    21     1.09746   109.24185     5.45208
   22    20 S   C    _C2_    22     1.53491   109.12211  -110.46409
   23    22 S   O    _O2_    23     1.23055   122.08367  -144.93072
   24    20 S   CT   _CB2    32     1.53648   111.39676   126.90807
   25    24 S   HC   HB21    33     1.09449   109.21716    60.12946
   26    24 S   HC   HB22    34     1.09372   109.53735   179.15698
   27    22 S   N    _N3_    24     1.38456   113.75712    42.51003
   28    27 S   H    _HN3    25     1.01458   119.12443     0.16193
   29    24 S   S    _SG2    35     1.82985   111.02310   -60.45509
   30    27 S   CT   _CA3    26     1.45447   123.21735   175.54069
   31    30 S   HC   HA31    27     1.09541   108.97055    28.98239
   32    30 S   HC   HA32    28     1.09490   107.14804   145.92775
   33    29 S   CT   _C21    36     1.87078   102.77670  -178.14977
   34    30 S   CO3  _C3_    29     1.52952   113.47292   -94.32559
   35    34 S   O2Z  _O31    30     1.26375   115.59142   -40.14689
   36    34 S   O2Z  _O32    31     1.26388   114.86936   140.88993
   37    33 S   CM   _C8_    37     1.50901   110.57972   -50.75012
   38    37 S   HC   _H6_    38     1.08825   117.18104   -72.52323
   39    33 S   NIP  _N5_    51     1.53114   112.41518  -178.74695
   40    37 S   CMA  _C9_    39     1.35255   126.93784   104.69370
   41    40 S   OM   _O3_    40     1.26193   128.90866  -178.00983
   42    39 S   CG   _C14    52     1.29565   128.93195    74.42770
   43    42 S   HC   _H8_    53     1.10104   116.40563   175.23729
   44    40 S   CO4  _C11    41     1.52197   115.82574     0.78435
   45    44 S   O    _O6_    42     1.22984   123.08008  -167.08057
   46    42 S   CM   _C13    54     1.47871   126.84774    -6.82720
   47    46 S   HC   _H7_    55     1.08457   117.27738   -15.10569
   48    44 S   CM   _C7_    43     1.48188   118.32052    15.98668
   49    48 S   HC   _H5_    44     1.08353   117.57539   159.33816
   50    46 S   CM   _C12    56     1.34530   124.35847   167.51040
   51    33 S   CM   _C10    45     1.50809   109.02752    70.89565
   52    50 S   CM   _C6_    57     1.45964   125.72920    -3.03112
   53    52 S   HC   _H4_    58     1.08406   118.43658   -15.02035
   54    51 S   CT   _C17    46     1.49352   109.87980    87.86246
   55    54 S   HC   _H9_    47     1.09551   113.06076   156.27839
   56    54 S   HC   _H10    48     1.09578   110.13073   -83.43125
   57    52 S   CM   _C4_    59     1.34636   121.08553   164.80737
   58    54 S   CT1  _C20    49     1.52910   102.13354    37.44770
   59    58 S   HC   _H14    50     1.09661   111.64633    87.02995
   60    57 S   NE   _N4_    60     1.38423   121.77067    -2.10189
   61    60 S   H    _H3_    61     1.01669   116.23805  -172.82868
   62    57 S   CO3  _C5_    70     1.55898   119.56705   179.16537
   63    62 S   O2Z  _O1_    71     1.26762   114.68630   174.72129
   64    62 S   O2Z  _O33    72     1.26466   116.59591    -5.69698
   65    60 S   CT1  _C19    62     1.45387   123.61727    -4.98429
   66    65 S   HC   _H13    63     1.09752   108.59740   146.37545
   67    58 S   CO3  _C16    73     1.53322   110.85644  -146.45420
   68    67 S   O2Z  _O5_    74     1.26418   114.20714  -123.18407
   69    67 S   O2Z  _O8_    75     1.26262   116.38216    57.05960
   70    50 S   CT   _C18    64     1.52469   119.74313   178.48923
   71    70 S   HC   _H11    65     1.09703   111.26317   -16.21175
   72    70 S   HC   _H12    66     1.09946   107.24705    99.60506
   73    65 S   CO3  _C15    67     1.53835   107.96987   -98.64582
   74    73 S   O2Z  _O4_    68     1.26636   114.99944   -63.53769
   75    73 S   O2Z  _O7_    69     1.26448   116.52797   118.51824
  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  10   5   4   3
  18   2   1   1  11   5  16   6   3  11   4   5   3  10   3   6
   2  11   6  11   4   7   4   3   9   4   3  12   5   3   1   1
   7   6   2   1   1   5   2   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    51    54    58    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    48    49    51    54    55    56    58    59    39    42    43    46    67  
   35    36  
   36  
    0  
   38    40    41    44    45    48    51    54    58    39    42  
   40    41    44    51    39  
   42    43    46    47    50    67    68    69    40    48    51    54    55    56    58    59  
   41    44    45    48    49    51  
   44    45    48  
   43    46    47    50    52    70    67    51    54    58    59  
   46    47    50    58  
   45    48    49    51    54  
   48    49    51  
   47    50    52    53    57    65    70    71    72    58  
   50    52    70  
   49    51    54    55    56    58  
   51    54  
   52    53    57    60    65    66    70    71    72    73    62  
   54    55    56    58    59    67  
   53    57    60    61    65    70    71    72    62    63    64  
   57    60    70    62  
   55    56    58    59    67    68    69  
   56    58    59    67  
   58    59    67  
   60    61    65    66    70    73    62    63    64  
   59    67    68    69  
   67    68    69  
   61    65    66    70    71    72    73    74    75    62    63    64  
   65    66    70    73    62  
   63    64    65  
   64  
    0  
   66    70    71    72    73    74    75  
   70    71    72    73    74    75  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73  
   73  
   74    75  
   75  
    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   0.574200   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.2500   0.1700  -0.065700   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    51   317.000  1.510
   33    39   280.000  1.462
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    44   270.000  1.476
   44    45   570.000  1.229
   44    48   320.000  1.462
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    39   280.000  1.462
   58    67   317.000  1.522
   39    42   635.000  1.286
   42    43   385.000  1.083
   42    46   400.000  1.403
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    52   380.000  1.444
   50    70   317.000  1.510
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    60   425.000  1.378
   57    62   230.000  1.545
   60    61   434.000  1.010
   60    65   382.000  1.448
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    73   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   73    74   656.000  1.250
   73    75   656.000  1.250
   62    63   656.000  1.250
   62    64   656.000  1.250
   67    68   656.000  1.250
   67    69   656.000  1.250
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    51    75.00000  112.20000
   29    33    39    85.00000  109.00000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    51    48    70.00000  124.00000
   33    51    54    65.00000  117.92700
   33    39    58    75.00000  117.54700
   33    39    42    70.00000  122.59000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  114.61000
   40    37    38    40.00000  120.50800
   40    44    45    80.00000  120.81000
   40    44    48    65.00000  118.65900
   44    40    41    85.00000  116.28000
   44    48    49    40.00000  117.72500
   44    48    51    65.00000  118.96000
   48    44    45    80.00000  123.72100
   48    51    54    70.00000  124.00000
   51    33    37    70.00000  110.12100
   51    48    49    35.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    58    70.00000  112.02700
   54    58    59    37.50000  110.70000
   54    58    39    75.00000  111.57000
   54    58    67    63.00000  111.10000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    39    42    70.00000  122.59000
   58    67    68    70.00000  117.00000
   58    67    69    70.00000  117.00000
   39    33    37    75.00000  110.00000
   39    33    51    75.00000  110.00000
   39    58    59    50.00000  106.46400
   39    42    43    45.00000  118.03900
   39    42    46    65.00000  126.03000
   42    46    47    40.00000  116.17200
   42    46    50    65.00000  121.68800
   46    42    43    40.00000  123.36000
   46    50    52    70.00000  123.01800
   46    50    70    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    57    70.00000  123.01800
   50    70    65    70.00000  112.02700
   50    70    71    35.00000  109.50000
   50    70    72    35.00000  109.50000
   52    57    60    70.00000  124.03900
   52    57    62    55.00000  124.75400
   57    52    53    35.00000  120.00000
   57    60    61    35.00000  114.50000
   57    60    65    50.00000  121.00000
   57    62    63    85.00000  113.83300
   57    62    64    85.00000  113.83300
   60    65    66    35.00000  109.50000
   60    65    70    80.00000  111.61500
   60    65    73    63.00000  110.10000
   65    60    61    35.00000  112.50000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    73    74    70.00000  117.00000
   65    73    75    70.00000  117.00000
   70    50    52    70.00000  124.00000
   70    65    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    65    66    35.00000  109.50000
   73    65    70    63.00000  111.10000
   75    73    74    80.00000  126.00000
   62    57    60    80.00000  114.48000
   64    62    63    80.00000  126.00000
   67    58    59    35.00000  109.50000
   67    58    39    75.00000  110.00000
   69    67    68    80.00000  126.00000
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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    48   0.42700  1.0 1.0
   29    33    51    48  -0.70350 -1.0 2.0
   29    33    51    48  -0.43150  1.0 3.0
   29    33    51    54   0.30250  1.0 1.0
   29    33    51    54  -0.14950 -1.0 2.0
   29    33    51    54   0.36900  1.0 3.0
   29    33    39    58   0.00000  1.0 1.0
   29    33    39    42   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    51    54    55   0.34800  1.0 3.0
   33    51    54    56   0.34800  1.0 3.0
   33    51   -54    58   0.46850  1.0 1.0
   33    51   -54    58   0.08550 -1.0 2.0
   33    51   -54    58   0.09800  1.0 3.0
   33    39    42    43   2.00000 -1.0 2.0
   33    39    42    46   2.00000 -1.0 2.0
   37    33    51    48  -0.28300  1.0 1.0
   37    33    51    48   0.26700 -1.0 2.0
   37    33    51    48  -0.63300  1.0 3.0
   37    33    51    54   0.09700  1.0 1.0
   37    33    51    54   0.15600 -1.0 2.0
   37    33    51    54  -0.50800  1.0 3.0
   37    33    39    58   0.00000  1.0 1.0
   37    33    39    42   0.00000  1.0 1.0
   37    40    44    45   1.00000 -1.0 2.0
   37    40   -44    48  -1.18350  1.0 1.0
   37    40   -44    48   1.45950 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    44   7.00000 -1.0 2.0
   40    44    48    49   0.93700 -1.0 2.0
   40    44    48    51  -1.18350  1.0 1.0
   40    44    48    51   1.45950 -1.0 2.0
   41    40    44    45  -0.11900  1.0 1.0
   41    40    44    45   0.76850 -1.0 2.0
   41    40    44    45   0.14100  1.0 3.0
   41    40    44    48   1.50000 -1.0 2.0
   44    48   -51    33   7.00000 -1.0 2.0
   44    48    51    54   7.00000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   1.00000 -1.0 2.0
   48    51    54    55   0.00000  1.0 1.0
   48    51    54    56   0.00000  1.0 1.0
   48    51    54    58   0.09850  1.0 1.0
   48    51    54    58   0.15250 -1.0 2.0
   48    51    54    58  -0.50650  1.0 3.0
   49    48    51    33   7.00000 -1.0 2.0
   49    48    51    54   7.00000 -1.0 2.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40  -0.28300  1.0 1.0
   51    33   -37    40   0.26700 -1.0 2.0
   51    33   -37    40  -0.63300  1.0 3.0
   51    33   -39    58   0.00000  1.0 1.0
   51    33    39    42   0.00000  1.0 1.0
   51    54    58    59   0.15000  1.0 3.0
   51    54   -58    39   0.56750  1.0 1.0
   51    54   -58    39  -0.07550 -1.0 2.0
   51    54   -58    39   0.20000  1.0 3.0
   51    54    58    67  -0.98800  1.0 1.0
   51    54    58    67   0.48800 -1.0 2.0
   51    54    58    67   0.76800  1.0 3.0
   54    58   -39    33   0.00000  1.0 1.0
   54    58    39    42   0.00000  1.0 1.0
   54    58    67    68   0.00000  1.0 1.0
   54    58    67    69   0.00000  1.0 1.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    39   0.15000  1.0 3.0
   55    54    58    67  -0.03800  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    39   0.15000  1.0 3.0
   56    54    58    67  -0.03800  1.0 3.0
   58    39    42    43   2.00000 -1.0 2.0
   58    39    42    46   2.00000 -1.0 2.0
   59    58    39    33   0.00000  1.0 1.0
   59    58    39    42  -0.22200  1.0 3.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    69   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.09700  1.0 1.0
   39    33    37    40   0.15600 -1.0 2.0
   39    33    37    40  -0.50800  1.0 3.0
   39    33    51    48   0.09700  1.0 1.0
   39    33    51    48   0.15600 -1.0 2.0
   39    33    51    48  -0.50800  1.0 3.0
   39    33   -51    54   0.09700  1.0 1.0
   39    33   -51    54   0.15600 -1.0 2.0
   39    33   -51    54  -0.50800  1.0 3.0
   39    58    67    68   0.30150 -1.0 2.0
   39    58    67    69   0.30150 -1.0 2.0
   39    42    46    47   0.97550 -1.0 2.0
   39    42    46    50   1.09700  1.0 1.0
   39    42    46    50   0.56350 -1.0 2.0
   39    42    46    50   0.49350  1.0 3.0
   42    46    50    52   7.00000 -1.0 2.0
   42    46    50    70   7.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    50   1.36050 -1.0 2.0
   46    50    52    53  -0.18600  1.0 3.0
   46    50    52    57   0.28850  1.0 1.0
   46    50    52    57   2.61350 -1.0 2.0
   46    50    52    57   0.78400  1.0 3.0
   46    50    70    65   0.09850  1.0 1.0
   46    50    70    65   0.15250 -1.0 2.0
   46    50    70    65  -0.50650  1.0 3.0
   46    50    70    71   0.00000  1.0 1.0
   46    50    70    72   0.00000  1.0 1.0
   47    46    50    52   7.00000 -1.0 2.0
   47    46    50    70   7.00000 -1.0 2.0
   50    52    57    60   7.00000 -1.0 2.0
   50    52    57    62   7.00000 -1.0 2.0
   52    50    70    65   0.98200  1.0 1.0
   52    50    70    65  -0.11900 -1.0 2.0
   52    50    70    65   0.24250  1.0 3.0
   52    50    70    71   0.00000  1.0 1.0
   52    50    70    72   0.00000  1.0 1.0
   52    57    60    61   1.00000 -1.0 2.0
   52    57   -60    65  -0.54700  1.0 1.0
   52    57   -60    65   1.23000 -1.0 2.0
   52    57    62    63  -0.04000 -1.0 2.0
   52    57    62    63  -0.29050  1.0 3.0
   52    57    62    64  -0.04000 -1.0 2.0
   52    57    62    64  -0.29050  1.0 3.0
   53    52    57    60   7.00000 -1.0 2.0
   53    52    57    62   7.00000 -1.0 2.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    70   0.25450  1.0 1.0
   57    60    65    70  -0.61700 -1.0 2.0
   57    60    65    70  -0.23550  1.0 3.0
   57    60    65    73  -0.12500  1.0 1.0
   57    60    65    73  -0.12500 -1.0 2.0
   57    60    65    73   0.25000  1.0 3.0
   60    57    62    63   1.91650 -1.0 2.0
   60    57    62    64   1.91650 -1.0 2.0
   60    65   -70    50   0.21700  1.0 1.0
   60    65   -70    50   0.68550 -1.0 2.0
   60    65   -70    50  -0.27950  1.0 3.0
   60    65    70    71   0.22950  1.0 3.0
   60    65    70    72   0.22950  1.0 3.0
   60    65    73    74   0.00000  1.0 1.0
   60    65    73    75   0.00000  1.0 1.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    70   0.00000  1.0 1.0
   61    60    65    73   0.00000  1.0 1.0
   66    65    70    50   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    73    74   0.00000  1.0 1.0
   66    65    73    75   0.00000  1.0 1.0
   70    50    52    53   0.00000  1.0 1.0
   70    50   -52    57  -0.18600  1.0 3.0
   70    65    73    74   0.00000  1.0 1.0
   70    65    73    75   0.00000  1.0 1.0
   73    65    70    50  -0.98800  1.0 1.0
   73    65    70    50   0.48800 -1.0 2.0
   73    65    70    50   0.76800  1.0 3.0
   73    65    70    71  -0.03800  1.0 3.0
   73    65    70    72  -0.03800  1.0 3.0
   62    57    60    61   1.82350 -1.0 2.0
   62    57    60    65   1.00000 -1.0 2.0
   67    58    39    33   0.00000  1.0 1.0
   67    58    39    42   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   40    48    44    45  10.50000 -1.0 2.0
   44    49    48    51   1.10000 -1.0 2.0
   33    54    51    48   1.10000 -1.0 2.0
   33    58    39    42   1.00000 -1.0 2.0
   46    43    42    39  10.50000 -1.0 2.0
   42    47    46    50   1.10000 -1.0 2.0
   52    70    50    46   1.10000 -1.0 2.0
   50    53    52    57   1.10000 -1.0 2.0
   60    62    57    52   1.10000 -1.0 2.0
   65    57    60    61   1.00000 -1.0 2.0
   74    65    73    75  10.50000 -1.0 2.0
   63    57    62    64  10.50000 -1.0 2.0
   68    58    67    69  10.50000 -1.0 2.0
END
