* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    122    185     352
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.80604    98.14668  -178.23764
   34    33 S   HC   _H3_    37     1.09507   106.14936    46.52741
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C9_    38     1.49763   109.09241   159.99096
   39    33 S   CM   _C11    52     1.51601   113.05705   -75.38953
   40    38 S   CA   _C8_    39     1.47298   123.13512  -143.78560
   41    40 S   HA   _H9_    40     1.08164   119.42194     0.34207
   42    39 S   CA   _C13    53     1.48421   118.26088   -60.87986
   43    39 S   CMA  _C12    68     1.34722   123.17154   120.63209
   44    43 S   OM   _O33    69     1.39589   119.80477    -1.03249
   45    43 S   OM   _O34    70     1.39714   120.37437   179.05726
   46    40 S   CA   _C7_    41     1.34219   118.59738  -179.63631
   47    46 S   HA   _H8_    42     1.08594   119.72516  -179.97202
   48    42 S   CA   _C14    54     1.39482   120.00119   -88.62182
   49    48 S   HA   _H11    55     1.08820   120.86948     0.02798
   50    46 S   CA   _C6_    43     1.45193   123.66460    -0.00000
   51    50 S   HA   _H7_    44     1.08627   116.76616   179.97202
   52    48 S   CA   _C15    56     1.39443   120.01645   180.00000
   53    52 S   HA   _H12    57     1.08642   119.70866  -180.00000
   54    50 S   CA   _C5_    45     1.34668   122.04794     0.02798
   55    52 S   CA   _C16    58     1.39535   120.01133     0.06853
   56    38 S   NAP  _N4_    46     1.55848   120.64974    36.57327
   57    56 S   H    _H10    47     1.02011   120.32123    -0.22728
   58    54 S   CT   _C4_    48     1.49698   122.81416   179.96574
   59    58 S   HC   _H4_    49     1.08865   109.64291    89.92040
   60    58 S   HC   _H5_    50     1.08959   109.61260   -30.22310
   61    58 S   HC   _H6_    51     1.08846   109.64875  -149.84052
   62    55 S   CA   _C17    59     1.39545   119.94991    -0.04423
   63    62 S   HA   _H13    60     1.08598   120.30947  -180.00000
   64    55 S   OS   _O35    63     1.36017   120.00864   180.00000
   65    42 S   CA   _C18    61     1.39465   119.97647    91.42385
   66    65 S   HA   _H14    62     1.08669   120.85392    -0.00000
   67    64 S   CT   _C19    64     1.42685   117.12139    -0.00000
   68    67 S   HC   _H15    65     1.09189   109.54233  -180.00000
   69    67 S   HC   _H16    66     1.09309   109.46595    59.17409
   70    67 S   HC   _H17    67     1.09289   108.95064   -60.36784
  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
  15   6   2   1   1  12  12   8   4  12   4   1   1   6   3   8
   4   8   3   7   3   6   9   5   1   3   2   1   1   5   3   5
   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    56    39    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    54    56    57    39    42    48    65    43    44    45  
   38    40    56    39    42    43  
   36    37  
   37  
    0  
   40    41    46    47    50    54    56    57    58    39    42    43  
   42    48    49    52    62    65    66    43    44    45    40    56  
   41    46    47    50    51    54    56    57  
   46    47    50    56  
   48    49    52    53    55    62    63    65    66    43    44    45  
   44    45    48    65  
   45  
    0  
   47    50    51    54    56    58  
   50    51    54  
   49    52    53    55    62    65    66    64  
   52    53    55    65  
   51    54    56    57    58    59    60    61  
   54    56    58  
   53    55    62    63    65    64    67  
   55    62    64  
   56    57    58    59    60    61  
   62    63    65    66    64    67    68    69    70  
   57    58    59    60    61  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    65    66    64    67  
   65    66    64  
   67    68    69    70    65  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   57   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   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    39   317.000  1.510
   38    40   469.000  1.400
   38    56   485.000  1.342
   40    41   367.000  1.080
   40    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    56   485.000  1.342
   54    58   317.000  1.510
   56    57   475.000  1.020
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    42   320.000  1.460
   39    43   465.000  1.376
   42    48   469.000  1.400
   42    65   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    62   469.000  1.400
   55    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   367.000  1.080
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   43    44   745.000  1.250
   43    45   745.000  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    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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    56    70.00000  116.21300
   33    39    42    65.00000  118.87000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    63.00000  120.00000
   38    56    54    70.00000  123.81700
   38    56    57    45.00000  117.56800
   40    46    47    35.00000  120.00000
   40    46    50    63.00000  120.00000
   46    40    41    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    56    70.00000  119.29800
   50    54    58    70.00000  120.00000
   54    50    51    35.00000  120.00000
   54    56    57    45.00000  117.56800
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   56    38    40    70.00000  119.29800
   58    54    56    70.00000  116.21300
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    48    60.00000  120.93500
   39    42    65    60.00000  120.93500
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   42    48    49    35.00000  120.00000
   42    48    52    63.00000  120.00000
   42    65    62    63.00000  120.00000
   42    65    66    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    62    63.00000  120.00000
   52    55    64    70.00000  120.00000
   55    52    53    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    65    63.00000  120.00000
   55    64    67    75.00000  111.00000
   62    65    66    35.00000  120.00000
   65    42    48    63.00000  120.00000
   65    62    63    35.00000  120.00000
   64    55    62    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   43    39    42    60.00000  123.20500
   45    43    44    65.00000  121.00000
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    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    56   0.04300 -1.0 2.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    46   3.62500 -1.0 2.0
   33    38    56    54   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    42    48  -0.02500  1.0 1.0
   33    39    42    48  -0.32150 -1.0 2.0
   33    39    42    48  -0.01500  1.0 3.0
   33    39    42    65  -0.02500  1.0 1.0
   33    39    42    65  -0.32150 -1.0 2.0
   33    39    42    65  -0.01500  1.0 3.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    42   0.77000  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    40    46    47   3.62500 -1.0 2.0
   38    40    46    50   3.62500 -1.0 2.0
   40    38    56    54   3.62500 -1.0 2.0
   40    38    56    57   3.62500 -1.0 2.0
   40    46    50    51   3.62500 -1.0 2.0
   40    46   -50    54   3.62500 -1.0 2.0
   41    40    46    47   3.62500 -1.0 2.0
   41    40    46    50   3.62500 -1.0 2.0
   46    50    54    56   3.62500 -1.0 2.0
   46    50    54    58   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -56    38   3.62500 -1.0 2.0
   50    54    56    57   3.62500 -1.0 2.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    61   0.00000  1.0 1.0
   51    50    54    56   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   56    38    40    41   3.62500 -1.0 2.0
   56    38   -40    46   3.62500 -1.0 2.0
   56    54    58    59   0.00000  1.0 1.0
   56    54    58    60   0.00000  1.0 1.0
   56    54    58    61   0.00000  1.0 1.0
   58    54    56    38   3.62500 -1.0 2.0
   58    54    56    57   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    56   0.04300 -1.0 2.0
   39    42    48    49   3.62500 -1.0 2.0
   39    42    48    52   3.62500 -1.0 2.0
   39    42    65    62   3.62500 -1.0 2.0
   39    42    65    66   3.62500 -1.0 2.0
   42    39    43    44   7.00000 -1.0 2.0
   42    39    43    45   7.00000 -1.0 2.0
   42    48    52    53   3.62500 -1.0 2.0
   42    48    52    55   3.62500 -1.0 2.0
   48    42    65    62   3.62500 -1.0 2.0
   48    42    65    66   3.62500 -1.0 2.0
   48    52   -55    62   3.62500 -1.0 2.0
   48    52    55    64   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55    62    63   3.62500 -1.0 2.0
   52    55    62    65   3.62500 -1.0 2.0
   52    55    64    67   1.63200 -1.0 2.0
   53    52    55    62   3.62500 -1.0 2.0
   53    52    55    64   3.62500 -1.0 2.0
   55    62   -65    42   3.62500 -1.0 2.0
   55    62    65    66   3.62500 -1.0 2.0
   55    64    67    68   0.08050  1.0 3.0
   55    64    67    69   0.08050  1.0 3.0
   55    64    67    70   0.08050  1.0 3.0
   62    55    64    67   1.63200 -1.0 2.0
   63    62    65    42   3.62500 -1.0 2.0
   63    62    65    66   3.62500 -1.0 2.0
   65    42    48    49   3.62500 -1.0 2.0
   65    42   -48    52   3.62500 -1.0 2.0
   64    55    62    63   3.62500 -1.0 2.0
   64    55    62    65   3.62500 -1.0 2.0
   43    39    42    48   0.15800  1.0 1.0
   43    39    42    48   1.85350 -1.0 2.0
   43    39    42    48  -0.48700  1.0 3.0
   43    39    42    65   0.15800  1.0 1.0
   43    39    42    65   1.85350 -1.0 2.0
   43    39    42    65  -0.48700  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
   36    30    35    37  10.50000 -1.0 2.0
   40    56    38    33   4.00000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   50    47    46    40   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   58    56    54    50   4.00000 -1.0 2.0
   57    38    56    54   1.00000 -1.0 2.0
   33    42    39    43  15.00000 -1.0 2.0
   48    65    42    39   4.00000 -1.0 2.0
   52    49    48    42   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   62    64    55    52   4.00000 -1.0 2.0
   65    63    62    55   1.10000 -1.0 2.0
   62    66    65    42   1.10000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
