* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    225     410
    1     0 S   NP   _N1_     1    29.01531    98.00988   -21.13073
    2     1 S   H    _HN1     2     1.02782    90.73836   -95.71041
    3     1 S   H    _H1_     3     1.02951    65.95810    14.12254
    4     1 S   H    _H2_     4     1.02826    52.71875   152.16541
    5     1 S   CT   _CA1     5     1.50116   156.07414   100.40682
    6     5 S   HC   _HA1     6     1.09573   105.19872   101.15327
    7     5 S   CO3  _C1_     7     1.53804   112.44310   -19.06471
    8     7 S   O2Z  _O11     8     1.26374   115.00330   -42.42198
    9     7 S   O2Z  _O12     9     1.26242   114.94897   136.67680
   10     5 S   CT   _CB1    10     1.53080   107.41148  -140.87257
   11    10 S   HC   HB11    11     1.09830   109.38858   -49.72325
   12    10 S   HC   HB12    12     1.09814   110.43619    66.89418
   13    10 S   CT   _CG1    13     1.52966   112.59506  -170.72021
   14    13 S   HC   HG11    14     1.09593   110.56541   -64.93904
   15    13 S   HC   HG12    15     1.09667   109.85132    54.27821
   16    13 S   C    _CD1    16     1.51799   112.30402   174.71958
   17    16 S   O    _OE1    17     1.22719   123.32720     3.98222
   18    16 S   N    _N2_    18     1.38602   111.55120  -176.03661
   19    18 S   H    _HN2    19     1.01577   118.92805     1.94249
   20    18 S   CT1  _CA2    20     1.46253   123.57050   179.24723
   21    20 S   HC   _HA2    21     1.09726   109.41750     1.73709
   22    20 S   C    _C2_    22     1.53506   108.62577  -113.89846
   23    22 S   O    _O2_    23     1.23054   122.33555  -148.16402
   24    20 S   CT   _CB2    32     1.53239   111.14744   123.74704
   25    24 S   HC   HB21    33     1.09498   109.80566    56.32800
   26    24 S   HC   HB22    34     1.09512   110.74530   175.02709
   27    22 S   N    _N3_    24     1.38361   113.68382    39.31592
   28    27 S   H    _HN3    25     1.01590   119.53180    -3.40013
   29    24 S   S    _SG2    35     1.82662   111.34529   -65.50303
   30    27 S   CT   _CA3    26     1.45281   123.18162   177.09256
   31    30 S   HC   HA31    27     1.09551   107.51373   -64.37376
   32    30 S   HC   HA32    28     1.09558   107.97014    52.04801
   33    29 S   CT   _C11    36     1.84320    99.29402   157.82233
   34    33 S   HC   _H3_    37     1.09585   108.18797    27.44676
   35    30 S   CO3  _C3_    29     1.52950   114.11851   174.04905
   36    35 S   O2Z  _O31    30     1.26370   116.07699    -0.50899
   37    35 S   O2Z  _O32    31     1.26431   114.40823   179.54716
   38    33 S   CM   _C5_    38     1.52183   108.83669   146.50620
   39    38 S   CM   _C4_    39     1.46234   108.94147   107.08751
   40    39 S   CM   _C6_    40     1.34857   121.80987   168.12026
   41    39 S   CT   _C10    61     1.50257   108.76877    -6.33450
   42    41 S   HC   _H25    62     1.09486   113.19463   146.11500
   43    40 S   C3T  _C12    41     1.50331   118.99111    -2.82985
   44    40 S   CT   _C15    57     1.50577   122.09768   177.88835
   45    44 S   HC   _H27    58     1.09437   110.76903   114.89290
   46    44 S   HC   _H28    59     1.09347   113.03862    -5.72279
   47    44 S   HC   _H29    60     1.09509   110.16604  -124.65937
   48    33 S   CT   _C14    63     1.56520   115.70102   -97.99838
   49    41 S   OH   _O17    73     1.42225   109.61107   -92.88503
   50    49 S   HO   _H38    74     0.97212   107.78689   -55.31218
   51    43 S   C3T  _C8_    42     1.51885   121.23228  -177.81349
   52    51 S   HC   _H21    43     1.08240   120.52668    -5.52833
   53    51 S   HC   _H22    44     1.08474   118.58724  -151.64617
   54    43 S   CT   _C13    48     1.55574   113.92072    29.49257
   55    48 S   CT   _C17    64     1.54071   115.48428    35.24826
   56    55 S   HC   _H33    65     1.09457   111.62348    59.22217
   57    55 S   HC   _H34    66     1.09398   113.05299   -62.25888
   58    55 S   HC   _H35    67     1.09645   110.36782   178.54842
   59    48 S   CT   _C18    68     1.55869   109.26182   157.03465
   60    59 S   HC   _H36    69     1.09607   110.39383   173.64294
   61    59 S   HC   _H37    70     1.09514   112.26123    53.40185
   62    43 S   C3T  _C9_    45     1.52781   114.15772  -110.75420
   63    62 S   HC   _H23    46     1.08340   119.38251   139.51657
   64    62 S   HC   _H24    47     1.08434   119.23966    -6.19552
   65    38 S   CMA  _C7_    49     1.35586   127.42391   -72.97095
   66    65 S   OM   _O16    50     1.26491   130.38190    -1.45589
   67    54 S   CT   _C16    51     1.54410   109.08322    80.68723
   68    67 S   HC   _H30    52     1.09628   110.78734    57.85946
   69    67 S   HC   _H31    53     1.09528   112.18126   -62.68120
   70    67 S   HC   _H32    54     1.09633   111.29672   175.72822
   71    54 S   OH   _O18    55     1.44145   108.81089  -164.35568
   72    71 S   HO   _H39    56     0.97417   106.11312   147.70172
   73    59 S   OH   _O19    71     1.42362   110.66866   -67.03768
   74    73 S   HO   _H40    72     0.97240   107.05042   178.80253
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  19   7   2   1   1  15  18  19  15   5  19   6   2   1   1  12
   3   1   9   5   4  11   7   3   2   1   4   3   2   5   1   1
   7   2   5   3   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    65    41    48    55    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    54    65    66    41    42    48    55    56    57    58    59    60    61    73    49  
   38    39    65    41    48    55    59  
   36    37  
   37  
    0  
   39    40    43    54    65    66    67    71    44    41    42    48    55    59    49  
   40    43    51    62    54    65    66    44    45    46    47    41    42    48    55    59    49    50  
   43    51    52    53    62    63    64    54    65    67    71    44    45    46    47    41    42    48    49  
   42    48    55    56    57    58    59    60    61    73    49    50    43    44    65  
   48    55    59    49    50  
   51    52    53    62    63    64    54    65    66    67    68    69    70    71    72    44    45    46    47  
   45    46    47    51    54    62  
   46    47  
   47  
    0  
   55    56    57    58    59    60    61    73    74    49    50    65  
   50    55    59  
    0  
   52    53    62    63    64    54    65    67    71  
   53    62    63    64    54  
   62    63    64    54  
   65    66    67    68    69    70    71    72    62    63    64  
   56    57    58    59    60    61    73  
   57    58    59  
   58    59  
   59  
   60    61    73    74  
   61    73    74  
   73    74  
   63    64    65    67    71  
   64  
    0  
   66    67    68    69    70    71    72  
   67    71  
   68    69    70    71    72  
   69    70    71  
   70    71  
   71  
   72  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   380.000  1.444
   38    65   465.000  1.376
   39    40   549.000  1.340
   39    41   317.000  1.510
   40    43   305.000  1.480
   40    44   317.000  1.510
   43    51   260.000  1.509
   43    62   260.000  1.509
   43    54   275.000  1.510
   51    52   340.000  1.088
   51    53   340.000  1.088
   51    62   260.000  1.509
   62    63   340.000  1.088
   62    64   340.000  1.088
   54    65   270.000  1.512
   54    67   268.000  1.529
   54    71   320.000  1.410
   65    66   745.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    49   320.000  1.410
   48    55   268.000  1.529
   48    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    73   320.000  1.410
   73    74   553.000  0.945
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    65    70.00000  124.00000
   33    48    41    58.35000  112.70000
   33    48    55    58.35000  112.70000
   33    48    59    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.00000
   38    65    54    65.00000  122.18000
   38    65    66    65.00000  137.10300
   39    40    43    55.00000  125.06700
   39    40    44    70.00000  124.00000
   39    41    42    35.00000  109.50000
   39    41    48    70.00000  112.02700
   39    41    49    90.00000  110.39200
   40    43    51    60.00000  120.58800
   40    43    62    60.00000  120.58800
   40    43    54    65.00000  117.55000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   43    51    52    37.50000  117.20000
   43    51    53    37.50000  117.20000
   43    51    62    10.00000   60.00500
   43    62    51    10.00000   60.00500
   43    62    63    37.50000  117.20000
   43    62    64    37.50000  117.20000
   43    54    65    70.00000  112.02700
   43    54    67    70.00000  112.37300
   43    54    71    50.00000  109.50000
   51    62    63    37.50000  117.20000
   51    62    64    37.50000  117.20000
   53    51    52    35.00000  114.30000
   62    43    51    10.00000   60.00500
   62    51    52    37.50000  117.20000
   62    51    53    37.50000  117.20000
   64    62    63    35.00000  114.30000
   54    43    51    60.00000  120.94000
   54    43    62    60.00000  120.94000
   54    65    66    85.00000  112.85300
   54    67    68    37.50000  110.70000
   54    67    69    37.50000  110.70000
   54    67    70    37.50000  110.70000
   54    71    72    55.00000  108.50000
   65    38    39    70.00000  117.34000
   67    54    65    70.00000  112.02700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    54    65    90.00000  110.39200
   71    54    67    50.00000  109.50000
   44    40    43    65.00000  117.92700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   41    39    40    70.00000  124.00000
   41    48    55    58.35000  112.70000
   41    48    59    58.35000  112.70000
   41    49    50    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    41    42    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   48    59    73    50.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    58.35000  112.70000
   59    73    74    55.00000  108.50000
   61    59    60    33.00000  107.80000
   73    59    60    35.00000  109.50000
   73    59    61    35.00000  109.50000
   49    41    42    35.00000  109.50000
   49    41    48    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    65   0.42700  1.0 1.0
   29    33    38    65  -0.70350 -1.0 2.0
   29    33    38    65  -0.43150  1.0 3.0
   29    33    48    41   0.44750  1.0 1.0
   29    33    48    41  -0.17800 -1.0 2.0
   29    33    48    41   0.20200  1.0 3.0
   29    33    48    55   0.44750  1.0 1.0
   29    33    48    55  -0.17800 -1.0 2.0
   29    33    48    55   0.20200  1.0 3.0
   29    33    48    59   0.44750  1.0 1.0
   29    33    48    59  -0.17800 -1.0 2.0
   29    33    48    59   0.20200  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38   -39    41   0.35650  1.0 1.0
   33    38   -39    41   0.31450 -1.0 2.0
   33    38    65    54   7.00000 -1.0 2.0
   33    38    65    66   7.00000 -1.0 2.0
   33    48    55    56   0.15000  1.0 3.0
   33    48    55    57   0.15000  1.0 3.0
   33    48    55    58   0.15000  1.0 3.0
   33    48    59    60   0.15000  1.0 3.0
   33    48    59    61   0.15000  1.0 3.0
   33    48    59    73   0.86500  1.0 1.0
   33    48    59    73  -0.17500 -1.0 2.0
   33    48    59    73   0.20800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    65   0.00000  1.0 1.0
   34    33    48    41   0.15000  1.0 3.0
   34    33    48    55   0.15000  1.0 3.0
   34    33    48    59   0.15000  1.0 3.0
   38    33   -48    41   0.34400  1.0 1.0
   38    33   -48    41   0.09450 -1.0 2.0
   38    33   -48    41   0.11100  1.0 3.0
   38    33    48    55   0.34400  1.0 1.0
   38    33    48    55   0.09450 -1.0 2.0
   38    33    48    55   0.11100  1.0 3.0
   38    33    48    59   0.34400  1.0 1.0
   38    33    48    59   0.09450 -1.0 2.0
   38    33    48    59   0.11100  1.0 3.0
   38    39    40    43   7.00000 -1.0 2.0
   38    39    40    44   7.00000 -1.0 2.0
   38    39    41    42   0.00000  1.0 1.0
   38    39   -41    48   0.98200  1.0 1.0
   38    39   -41    48  -0.11900 -1.0 2.0
   38    39   -41    48   0.24250  1.0 3.0
   38    39    41    49  -0.17300  1.0 1.0
   38    39    41    49   0.35150 -1.0 2.0
   38    39    41    49   0.31550  1.0 3.0
   39    38    65    54   7.00000 -1.0 2.0
   39    38    65    66   7.00000 -1.0 2.0
   39    40    43    51   0.09850  1.0 1.0
   39    40    43    51   0.15250 -1.0 2.0
   39    40    43    51  -0.50650  1.0 3.0
   39    40    43    62   0.09850  1.0 1.0
   39    40    43    62   0.15250 -1.0 2.0
   39    40    43    62  -0.50650  1.0 3.0
   39    40   -43    54   0.09850  1.0 1.0
   39    40   -43    54   0.15250 -1.0 2.0
   39    40   -43    54  -0.50650  1.0 3.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    46   0.00000  1.0 1.0
   39    40    44    47   0.00000  1.0 1.0
   39    41   -48    33   0.34400  1.0 1.0
   39    41   -48    33   0.09450 -1.0 2.0
   39    41   -48    33   0.11100  1.0 3.0
   39    41    48    55   0.34400  1.0 1.0
   39    41    48    55   0.09450 -1.0 2.0
   39    41    48    55   0.11100  1.0 3.0
   39    41    48    59   0.34400  1.0 1.0
   39    41    48    59   0.09450 -1.0 2.0
   39    41    48    59   0.11100  1.0 3.0
   39    41    49    50  -0.07800  1.0 1.0
   39    41    49    50  -0.21500 -1.0 2.0
   39    41    49    50  -0.03150  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    48   0.09850  1.0 1.0
   40    39    41    48   0.15250 -1.0 2.0
   40    39    41    48  -0.50650  1.0 3.0
   40    39    41    49   0.67800  1.0 1.0
   40    39    41    49   0.47050 -1.0 2.0
   40    39    41    49  -0.62500  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43   -51    62   0.34400  1.0 1.0
   40    43   -51    62   0.09450 -1.0 2.0
   40    43   -51    62   0.11100  1.0 3.0
   40    43   -62    51   0.34400  1.0 1.0
   40    43   -62    51   0.09450 -1.0 2.0
   40    43   -62    51   0.11100  1.0 3.0
   40    43    62    63   0.15000  1.0 3.0
   40    43    62    64   0.15000  1.0 3.0
   40    43    54    65   0.31000  1.0 1.0
   40    43    54    65   0.14700 -1.0 2.0
   40    43    54    65   0.07550  1.0 3.0
   40    43    54    67   0.34400  1.0 1.0
   40    43    54    67   0.09450 -1.0 2.0
   40    43    54    67   0.11100  1.0 3.0
   40    43    54    71   1.05650  1.0 1.0
   40    43    54    71   0.15600 -1.0 2.0
   40    43    54    71   0.53150  1.0 3.0
   43    40    44    45   0.34800  1.0 3.0
   43    40    44    46   0.34800  1.0 3.0
   43    40    44    47   0.34800  1.0 3.0
   43    51   -62    63   0.15000  1.0 3.0
   43    51   -62    64   0.15000  1.0 3.0
   43    54   -65    38   0.09850  1.0 1.0
   43    54   -65    38   0.15250 -1.0 2.0
   43    54   -65    38  -0.50650  1.0 3.0
   43    54    65    66   0.09700  1.0 1.0
   43    54    65    66   0.15600 -1.0 2.0
   43    54    65    66  -0.50800  1.0 3.0
   43    54    67    68   0.15000  1.0 3.0
   43    54    67    69   0.15000  1.0 3.0
   43    54    67    70   0.15000  1.0 3.0
   43    54    71    72  -0.11600  1.0 1.0
   43    54    71    72  -0.09450 -1.0 2.0
   43    54    71    72   0.21250  1.0 3.0
   51    43   -62    63   0.15000  1.0 3.0
   51    43   -62    64   0.15000  1.0 3.0
   51    43    54    65   0.34400  1.0 1.0
   51    43    54    65   0.09450 -1.0 2.0
   51    43    54    65   0.11100  1.0 3.0
   51    43    54    67   0.07850  1.0 1.0
   51    43    54    67  -0.03950 -1.0 2.0
   51    43    54    67   0.67350  1.0 3.0
   51    43    54    71   0.86500  1.0 1.0
   51    43    54    71  -0.17500 -1.0 2.0
   51    43    54    71   0.20800  1.0 3.0
   52    51   -62    43   0.15000  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    64   0.15000  1.0 3.0
   53    51   -62    43   0.15000  1.0 3.0
   53    51    62    63   0.15000  1.0 3.0
   53    51    62    64   0.15000  1.0 3.0
   62    43   -51    52   0.15000  1.0 3.0
   62    43   -51    53   0.15000  1.0 3.0
   62    43    54    65   0.34400  1.0 1.0
   62    43    54    65   0.09450 -1.0 2.0
   62    43    54    65   0.11100  1.0 3.0
   62    43    54    67   0.07850  1.0 1.0
   62    43    54    67  -0.03950 -1.0 2.0
   62    43    54    67   0.67350  1.0 3.0
   62    43    54    71   0.86500  1.0 1.0
   62    43    54    71  -0.17500 -1.0 2.0
   62    43    54    71   0.20800  1.0 3.0
   54    43    51    52   0.15000  1.0 3.0
   54    43    51    53   0.15000  1.0 3.0
   54    43   -51    62   0.07850  1.0 1.0
   54    43   -51    62  -0.03950 -1.0 2.0
   54    43   -51    62   0.67350  1.0 3.0
   54    43   -62    51   0.07850  1.0 1.0
   54    43   -62    51  -0.03950 -1.0 2.0
   54    43   -62    51   0.67350  1.0 3.0
   54    43    62    63   0.15000  1.0 3.0
   54    43    62    64   0.15000  1.0 3.0
   65    38   -39    40   0.28850  1.0 1.0
   65    38   -39    40   2.61350 -1.0 2.0
   65    38   -39    40   0.78400  1.0 3.0
   65    38    39    41  -0.18600  1.0 3.0
   65    54    67    68   0.15000  1.0 3.0
   65    54    67    69   0.15000  1.0 3.0
   65    54    67    70   0.15000  1.0 3.0
   65    54    71    72  -0.07800  1.0 1.0
   65    54    71    72  -0.21500 -1.0 2.0
   65    54    71    72  -0.03150  1.0 3.0
   67    54    65    38   0.09850  1.0 1.0
   67    54    65    38   0.15250 -1.0 2.0
   67    54    65    38  -0.50650  1.0 3.0
   67    54    65    66   0.09700  1.0 1.0
   67    54    65    66   0.15600 -1.0 2.0
   67    54    65    66  -0.50800  1.0 3.0
   67    54    71    72  -0.11600  1.0 1.0
   67    54    71    72  -0.09450 -1.0 2.0
   67    54    71    72   0.21250  1.0 3.0
   71    54    65    38   0.67800  1.0 1.0
   71    54    65    38   0.47050 -1.0 2.0
   71    54    65    38  -0.62500  1.0 3.0
   71    54    65    66   0.09700  1.0 1.0
   71    54    65    66   0.15600 -1.0 2.0
   71    54    65    66  -0.50800  1.0 3.0
   71    54    67    68   0.23400  1.0 3.0
   71    54    67    69   0.23400  1.0 3.0
   71    54    67    70   0.23400  1.0 3.0
   44    40    43    51   0.46850  1.0 1.0
   44    40    43    51   0.08550 -1.0 2.0
   44    40    43    51   0.09800  1.0 3.0
   44    40    43    62   0.46850  1.0 1.0
   44    40    43    62   0.08550 -1.0 2.0
   44    40    43    62   0.09800  1.0 3.0
   44    40    43    54   0.46850  1.0 1.0
   44    40    43    54   0.08550 -1.0 2.0
   44    40    43    54   0.09800  1.0 3.0
   41    39    40    43   7.00000 -1.0 2.0
   41    39    40    44   7.00000 -1.0 2.0
   41    48    55    56   0.15000  1.0 3.0
   41    48    55    57   0.15000  1.0 3.0
   41    48    55    58   0.15000  1.0 3.0
   41    48    59    60   0.15000  1.0 3.0
   41    48    59    61   0.15000  1.0 3.0
   41    48    59    73   0.86500  1.0 1.0
   41    48    59    73  -0.17500 -1.0 2.0
   41    48    59    73   0.20800  1.0 3.0
   42    41    48    33   0.15000  1.0 3.0
   42    41    48    55   0.15000  1.0 3.0
   42    41    48    59   0.15000  1.0 3.0
   42    41    49    50   0.19450  1.0 3.0
   48    33   -38    39   0.98200  1.0 1.0
   48    33   -38    39  -0.11900 -1.0 2.0
   48    33   -38    39   0.24250  1.0 3.0
   48    33    38    65   0.09850  1.0 1.0
   48    33    38    65   0.15250 -1.0 2.0
   48    33    38    65  -0.50650  1.0 3.0
   48    41    49    50  -0.11600  1.0 1.0
   48    41    49    50  -0.09450 -1.0 2.0
   48    41    49    50   0.21250  1.0 3.0
   48    59    73    74  -0.11600  1.0 1.0
   48    59    73    74  -0.09450 -1.0 2.0
   48    59    73    74   0.21250  1.0 3.0
   55    48    59    60   0.15000  1.0 3.0
   55    48    59    61   0.15000  1.0 3.0
   55    48    59    73   0.86500  1.0 1.0
   55    48    59    73  -0.17500 -1.0 2.0
   55    48    59    73   0.20800  1.0 3.0
   59    48    55    56   0.15000  1.0 3.0
   59    48    55    57   0.15000  1.0 3.0
   59    48    55    58   0.15000  1.0 3.0
   60    59    73    74   0.19450  1.0 3.0
   61    59    73    74   0.19450  1.0 3.0
   49    41    48    33   0.86500  1.0 1.0
   49    41    48    33  -0.17500 -1.0 2.0
   49    41    48    33   0.20800  1.0 3.0
   49    41    48    55   0.86500  1.0 1.0
   49    41    48    55  -0.17500 -1.0 2.0
   49    41    48    55   0.20800  1.0 3.0
   49    41    48    59   0.86500  1.0 1.0
   49    41    48    59  -0.17500 -1.0 2.0
   49    41    48    59   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    65   1.10000 -1.0 2.0
   38    41    39    40   1.10000 -1.0 2.0
   43    44    40    39   1.10000 -1.0 2.0
   54    66    65    38   1.10000 -1.0 2.0
END
