* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    134    210     405
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02042    90.24825    40.01016
    3     1 S   H    _H1_     3     1.02071    32.87727   165.66606
    4     1 S   H    _H2_     4     1.02061    90.26204   -68.71537
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C7_    36     1.83141    98.14826   161.77920
   34    33 S   HC   _H3_    37     1.09470   105.60694   -42.20296
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CM   _C4_    38     1.50781   108.76900  -160.03065
   39    38 S   OS   _O15    39     1.38437   117.00477   -77.47039
   40    38 S   CMA  _C5_    72     1.34016   123.23443   101.17011
   41    40 S   OM   _O13    73     1.26727   126.42957   180.00000
   42    39 S   CO   _C14    40     1.43417   112.69618   -56.14827
   43    42 S   HC   _H33    41     1.09725   106.27666   176.89316
   44    40 S   OH   _O17    74     1.40940   111.80174     0.00000
   45    44 S   HO   _H35    75     0.97355   105.55466   179.94766
   46    42 S   CT   _C12    42     1.53244   111.89588    58.07355
   47    46 S   HC   _H31    43     1.09578   109.15438  -173.98507
   48    42 S   OS   _O24    50     1.42589   112.21102   -65.85594
   49    33 S   CT   _C9_    44     1.53639   111.71902    76.16797
   50    49 S   HC   _H28    45     1.09642   110.20090   -41.62809
   51    46 S   OH   _O21    48     1.42523   108.10546    68.92073
   52    51 S   HO   _H39    49     0.97052   106.53208   177.48277
   53    48 S   CT   _C10    51     1.43115   111.35940  -116.53282
   54    53 S   HC   _H29    52     1.09430   106.82845    30.04519
   55    49 S   OH   _O19    46     1.43245   107.38068  -157.05847
   56    55 S   HO   _H37    47     0.96789   106.14294    59.98208
   57    53 S   CT   _C8_    53     1.52400   108.98783   150.77173
   58    57 S   HC   _H27    54     1.09059   111.37806  -176.68897
   59    57 S   OS   _O16    55     1.42537   110.44193    59.91877
   60    57 S   C    _C6_    68     1.51421   109.44410   -58.00555
   61    60 S   O    _O14    69     1.22241   125.03263   118.92632
   62    59 S   CO   _C15    56     1.42754   112.39560    63.60402
   63    62 S   HC   _H34    57     1.09747   109.84323    63.15410
   64    60 S   OH   _O18    70     1.35511   110.71716   -60.99319
   65    64 S   HO   _H36    71     0.98044   111.96103   179.92087
   66    62 S   CT   _C13    58     1.53360   111.21130   -59.67959
   67    66 S   HC   _H32    59     1.09701   110.66490   -70.69382
   68    62 S   OH   _O23    66     1.42719   109.78415  -178.96505
   69    68 S   HO   _H41    67     0.96895   106.44845   -58.75809
   70    53 S   CT   _C11    60     1.52979   109.19933   -90.26413
   71    70 S   HC   _H30    61     1.09621   109.64350   172.42547
   72    66 S   OH   _O22    64     1.42620   108.20204   172.47014
   73    72 S   HO   _H40    65     0.97010   106.44168   -61.05100
   74    70 S   OH   _O20    62     1.42440   108.92654    55.70858
   75    74 S   HO   _H38    63     0.97093   106.55520    59.99179
  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
  14   7   2   1   1  12  11   5   2  13   6   1   1   9   6  12
   5   3   2   1  15   8   1   1  13   6  11   5   2  10   6   1
   1   9   6   3   1   5   3   2   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    55    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    47    49    50    55    56    51    40    41    44  
   38    39    46    49    50    55    40  
   36    37  
   37  
    0  
   39    42    43    46    49    50    55    48    40    41    44    45  
   42    43    46    47    49    51    48    53    40    41    44  
   41    44    45    42    49  
   44    45  
   43    46    47    49    50    55    51    52    48    53    54    57    70  
   46    47    49    51    48    53  
   45  
    0  
   47    49    50    55    56    51    52    48    53  
   49    50    55    51    52    48  
   53    54    57    58    59    66    70    71    74    60    49    51  
   50    55    56    51    52  
   55    56    51  
   52    55  
    0  
   54    57    58    59    62    66    67    70    71    74    75    72    60    61    64  
   57    58    59    66    70    71    74    60  
   56  
    0  
   58    59    62    63    66    70    71    74    68    60    61    64    65  
   59    62    70    60    61    64  
   62    63    66    67    70    72    68    69    60    61    64  
   61    64    65    62    70  
   64    65  
   63    66    67    70    71    74    72    73    68    69  
   66    67    70    72    68    69  
   65  
    0  
   67    70    71    74    75    72    73    68    69  
   70    71    74    72    73    68  
   69    70    72  
    0  
   71    74    75    72    73  
   74    75    72  
   73    74  
    0  
   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   0.107500   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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   62   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    49   268.000  1.529
   38    39   440.000  1.360
   38    40   465.000  1.376
   39    42   320.000  1.380
   42    43   340.000  1.090
   42    46   250.000  1.527
   42    48   320.000  1.380
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    51   320.000  1.410
   49    50   340.000  1.090
   49    55   320.000  1.410
   55    56   553.000  0.945
   51    52   553.000  0.945
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    70   268.000  1.529
   57    58   340.000  1.090
   57    59   320.000  1.410
   57    60   317.000  1.522
   59    62   320.000  1.380
   62    63   340.000  1.090
   62    66   250.000  1.527
   62    68   380.000  1.407
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    74   320.000  1.410
   74    75   553.000  0.945
   72    73   553.000  0.945
   68    69   553.000  0.945
   60    61   570.000  1.229
   60    64   450.000  1.364
   64    65   553.000  0.945
   40    41   745.000  1.250
   40    44   510.000  1.338
   44    45   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    49    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    42    85.00000  113.97000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  121.38400
   39    42    43    35.00000  109.50000
   39    42    46    90.00000  108.56700
   39    42    48    92.60000  111.55000
   42    46    47    45.00000  108.72000
   42    46    49    75.00000  109.43000
   42    46    51    90.00000  111.58700
   42    48    53    60.00000  109.50000
   46    42    43    45.00000  112.01100
   46    49    50    37.50000  110.70000
   46    49    55    50.00000  109.50000
   46    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    46    47    37.50000  110.70000
   49    55    56    55.00000  108.50000
   55    49    50    35.00000  109.50000
   51    46    47    35.00000  109.50000
   51    46    49    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    42    46    90.00000  108.56700
   48    53    54    35.00000  109.50000
   48    53    57    50.00000  109.50000
   48    53    70    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    50.00000  109.50000
   53    57    60    63.00000  111.10000
   53    70    66    58.35000  112.70000
   53    70    71    37.50000  110.70000
   53    70    74    50.00000  109.50000
   57    53    54    37.50000  110.70000
   57    59    62    60.00000  109.50000
   57    60    61    80.00000  120.40000
   57    60    64    70.00000  108.00000
   59    57    58    35.00000  109.50000
   59    62    63    35.00000  109.50000
   59    62    66    90.00000  108.56700
   59    62    68   110.00000  112.08000
   62    66    67    45.00000  108.72000
   62    66    70    75.00000  109.43000
   62    66    72    90.00000  111.58700
   62    68    69    70.00000  107.92000
   66    62    63    45.00000  112.01100
   66    70    71    37.50000  110.70000
   66    70    74    50.00000  109.50000
   66    72    73    55.00000  108.50000
   70    53    54    37.50000  110.70000
   70    53    57    58.35000  112.70000
   70    66    67    37.50000  110.70000
   70    74    75    55.00000  108.50000
   74    70    71    35.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   68    62    63    60.00000  108.02500
   68    62    66    90.00000  110.19100
   60    57    58    35.00000  109.50000
   60    57    59    90.00000  108.55600
   60    64    65    35.00000  113.00000
   64    60    61   100.00000  123.32000
   40    38    39    80.00000  120.01400
   40    44    45    70.00000  107.45700
   44    40    41   115.00000  116.36000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   33    38    39    42   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    49    55    56  -0.11600  1.0 1.0
   33    49    55    56  -0.09450 -1.0 2.0
   33    49    55    56   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    55   0.23400  1.0 3.0
   38    33    49    46   0.34400  1.0 1.0
   38    33    49    46   0.09450 -1.0 2.0
   38    33    49    46   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    55   1.05650  1.0 1.0
   38    33    49    55   0.15600 -1.0 2.0
   38    33    49    55   0.53150  1.0 3.0
   38    39    42    43   0.08050  1.0 3.0
   38    39   -42    46  -0.46850  1.0 1.0
   38    39   -42    46   0.09300 -1.0 2.0
   38    39   -42    46  -0.12850  1.0 3.0
   38    39    42    48  -0.48150  1.0 1.0
   38    39    42    48   0.09250 -1.0 2.0
   38    39    42    48  -0.12850  1.0 3.0
   38    40    44    45  -0.66100  1.0 1.0
   38    40    44    45   1.20850 -1.0 2.0
   38    40    44    45  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    46    47   0.23400  1.0 3.0
   39    42    46    49   0.62750  1.0 1.0
   39    42    46    49  -0.30950 -1.0 2.0
   39    42    46    49   0.27300  1.0 3.0
   39    42    46    51   3.69350  1.0 1.0
   39    42    46    51  -1.82950 -1.0 2.0
   39    42    48    53  -0.53350  1.0 1.0
   39    42    48    53  -0.78350 -1.0 2.0
   39    42    48    53   0.33750  1.0 3.0
   42    46   -49    33   3.97050  1.0 1.0
   42    46    49    50   0.15000  1.0 3.0
   42    46    49    55   0.86500  1.0 1.0
   42    46    49    55  -0.17500 -1.0 2.0
   42    46    49    55   0.20800  1.0 3.0
   42    46    51    52  -0.11600  1.0 1.0
   42    46    51    52  -0.09450 -1.0 2.0
   42    46    51    52   0.21250  1.0 3.0
   42    48    53    54   0.37050  1.0 3.0
   42    48    53    57   0.06250  1.0 1.0
   42    48    53    57  -0.01100 -1.0 2.0
   42    48    53    57   0.28050  1.0 3.0
   42    48    53    70   0.06250  1.0 1.0
   42    48    53    70  -0.01100 -1.0 2.0
   42    48    53    70   0.28050  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    42    46    51   0.23400  1.0 3.0
   43    42    48    53   0.37050  1.0 3.0
   46    42    48    53   0.06250  1.0 1.0
   46    42    48    53  -0.01100 -1.0 2.0
   46    42    48    53   0.28050  1.0 3.0
   46    49    55    56  -0.11600  1.0 1.0
   46    49    55    56  -0.09450 -1.0 2.0
   46    49    55    56   0.21250  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    55   0.23400  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   49    33   -38    39   0.09700  1.0 1.0
   49    33   -38    39   0.15600 -1.0 2.0
   49    33   -38    39  -0.50800  1.0 3.0
   49    33    38    40   0.09850  1.0 1.0
   49    33    38    40   0.15250 -1.0 2.0
   49    33    38    40  -0.50650  1.0 3.0
   49    46    51    52  -0.11600  1.0 1.0
   49    46    51    52  -0.09450 -1.0 2.0
   49    46    51    52   0.21250  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   51    46    49    33   0.86500  1.0 1.0
   51    46    49    33  -0.17500 -1.0 2.0
   51    46    49    33   0.20800  1.0 3.0
   51    46    49    50   0.23400  1.0 3.0
   51    46    49    55   3.75450  1.0 1.0
   48    42    46    47   0.23400  1.0 3.0
   48    42    46    49   0.62750  1.0 1.0
   48    42    46    49  -0.30950 -1.0 2.0
   48    42    46    49   0.27300  1.0 3.0
   48    42    46    51   3.69350  1.0 1.0
   48    42    46    51  -1.82950 -1.0 2.0
   48    53    57    58   0.23400  1.0 3.0
   48    53    57    59   1.11900  1.0 1.0
   48    53    57    59  -1.16350 -1.0 2.0
   48    53    57    59  -0.34150  1.0 3.0
   48    53    57    60  -0.09450  1.0 1.0
   48    53    57    60  -1.12950 -1.0 2.0
   48    53    57    60   0.54000  1.0 3.0
   48    53    70    66   0.62750  1.0 1.0
   48    53    70    66  -0.30950 -1.0 2.0
   48    53    70    66   0.27300  1.0 3.0
   48    53    70    71   0.23400  1.0 3.0
   48    53    70    74   3.69350  1.0 1.0
   48    53    70    74  -1.82950 -1.0 2.0
   53    57    59    62   0.06250  1.0 1.0
   53    57    59    62  -0.01100 -1.0 2.0
   53    57    59    62   0.28050  1.0 3.0
   53    57    60    61   0.30150 -1.0 2.0
   53    57    60    64   0.50000  1.0 1.0
   53    57    60    64   0.27300 -1.0 2.0
   53    57    60    64   0.22500  1.0 3.0
   53    70    74    75  -0.11600  1.0 1.0
   53    70    74    75  -0.09450 -1.0 2.0
   53    70    74    75   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.23400  1.0 3.0
   54    53    57    60  -0.11250  1.0 3.0
   54    53    70    66   0.15000  1.0 3.0
   54    53    70    71   0.15000  1.0 3.0
   54    53    70    74   0.23400  1.0 3.0
   57    53    70    66   0.56750  1.0 1.0
   57    53    70    66  -0.07550 -1.0 2.0
   57    53    70    66   0.20000  1.0 3.0
   57    53    70    71   0.15000  1.0 3.0
   57    53    70    74   0.86500  1.0 1.0
   57    53    70    74  -0.17500 -1.0 2.0
   57    53    70    74   0.20800  1.0 3.0
   57    59    62    63   0.37050  1.0 3.0
   57    59   -62    66   0.06250  1.0 1.0
   57    59   -62    66  -0.01100 -1.0 2.0
   57    59   -62    66   0.28050  1.0 3.0
   57    59    62    68  -0.81800  1.0 1.0
   57    60    64    65   1.50000  1.0 1.0
   57    60    64    65   2.45000 -1.0 2.0
   58    57    59    62   0.37050  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    64   0.00000  1.0 1.0
   59    57    60    61   0.30150 -1.0 2.0
   59    57    60    64   0.40000  1.0 3.0
   59    62    66    67   0.23400  1.0 3.0
   59    62    66    70   0.62750  1.0 1.0
   59    62    66    70  -0.30950 -1.0 2.0
   59    62    66    70   0.27300  1.0 3.0
   59    62    66    72   3.69350  1.0 1.0
   59    62    66    72  -1.82950 -1.0 2.0
   59    62    68    69  -0.50000  1.0 1.0
   59    62    68    69  -0.73950 -1.0 2.0
   59    62    68    69   0.17150  1.0 3.0
   62    66   -70    53   3.97050  1.0 1.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    74   0.86500  1.0 1.0
   62    66    70    74  -0.17500 -1.0 2.0
   62    66    70    74   0.20800  1.0 3.0
   62    66    72    73  -0.11600  1.0 1.0
   62    66    72    73  -0.09450 -1.0 2.0
   62    66    72    73   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   66    62    68    69  -0.11600  1.0 1.0
   66    62    68    69  -0.09450 -1.0 2.0
   66    62    68    69   0.21250  1.0 3.0
   66    70    74    75  -0.11600  1.0 1.0
   66    70    74    75  -0.09450 -1.0 2.0
   66    70    74    75   0.21250  1.0 3.0
   67    66    70    53   0.15000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    53    57    58   0.15000  1.0 3.0
   70    53   -57    59   0.62750  1.0 1.0
   70    53   -57    59  -0.30950 -1.0 2.0
   70    53   -57    59   0.27300  1.0 3.0
   70    53    57    60  -0.95700  1.0 1.0
   70    53    57    60  -0.18200 -1.0 2.0
   70    53    57    60   0.29450  1.0 3.0
   70    66    72    73  -0.11600  1.0 1.0
   70    66    72    73  -0.09450 -1.0 2.0
   70    66    72    73   0.21250  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    66    70    53   0.86500  1.0 1.0
   72    66    70    53  -0.17500 -1.0 2.0
   72    66    70    53   0.20800  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   3.75450  1.0 1.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    70   0.86500  1.0 1.0
   68    62    66    70  -0.17500 -1.0 2.0
   68    62    66    70   0.20800  1.0 3.0
   68    62    66    72   3.75450  1.0 1.0
   60    57    59    62  -1.11000  1.0 1.0
   60    57    59    62   0.50250 -1.0 2.0
   60    57    59    62   0.47450  1.0 3.0
   61    60    64    65   0.92200  1.0 1.0
   61    60    64    65   3.74100 -1.0 2.0
   40    38    39    42  -2.26850  1.0 1.0
   40    38    39    42   3.39050 -1.0 2.0
   41    40    44    45   2.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   57    64    60    61  10.50000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
END
