* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    122    188     367
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02145    43.78156  -138.22701
    3     1 S   H    _H1_     3     1.02071   104.15928   -35.90271
    4     1 S   H    _H2_     4     1.02085    69.32798    69.07284
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C13    36     1.83504    97.74242  -178.13722
   34    33 S   HC   _H3_    37     1.09656   104.59761   -37.16362
   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   CT   _C9_    38     1.53961   111.65078    79.95736
   39    38 S   HC   _H27    39     1.09898   108.89515   -64.99842
   40    38 S   CT   _C8_    40     1.53804   111.94649   176.33756
   41    40 S   HC   _H25    41     1.09750   108.23758    72.01216
   42    40 S   HC   _H26    42     1.09749   109.52992  -171.63987
   43    38 S   C    _C7_    67     1.50581   113.86689    52.18794
   44    43 S   O    _O34    68     1.22242   125.05462    30.77504
   45    40 S   CT   _C10    43     1.53635   114.00625   -48.98909
   46    45 S   HC   _H28    44     1.09568   108.21298   171.21705
   47    43 S   OH   _O15    69     1.35586   110.68144  -149.16265
   48    47 S   HO   _H33    70     0.98117   111.91524   179.89347
   49    45 S   CT   _C11    45     1.52764   112.04496    50.20868
   50    49 S   HC   _H29    46     1.09718   110.42638  -175.04852
   51    45 S   OS   _O19    58     1.42350   110.53002   -71.42630
   52    33 S   CT   _C12    47     1.53801   110.88170  -153.85265
   53    52 S   HC   _H30    48     1.09527   110.85669   -58.76355
   54    49 S   OH   _O16    56     1.42907   107.99949    68.20774
   55    54 S   HO   _H34    57     0.96920   106.36823    59.98897
   56    51 S   CM   _C5_    59     1.32555   114.98401  -157.78461
   57    52 S   OS   _O20    49     1.42874   110.65227    60.23787
   58    56 S   CM   _C4_    60     1.33920   121.82627    59.91354
   59    58 S   HC   _H23    61     1.08501   122.98436     0.03426
   60    58 S   HC   _H24    62     1.08587   120.66640  -179.95154
   61    56 S   C    _C6_    63     1.48197   115.72391  -120.03464
   62    61 S   O    _O33    64     1.22200   123.25992   179.95577
   63    57 S   P1   _P22    50     1.61358   118.17319  -158.22010
   64    63 S   O2Z  _O13    51     1.50075   115.12721   -60.05988
   65    61 S   OH   _O14    65     1.35142   112.88085    -0.00000
   66    65 S   HO   _H32    66     0.98127   112.00473   179.94766
   67    63 S   OS   _O17    52     1.61767   103.81658   172.98838
   68    67 S   HO   _H35    53     0.98109   118.90594  -173.06373
   69    63 S   OS   _O18    54     1.61648   102.61887    65.64602
   70    69 S   HO   _H36    55     0.98057   118.93152   174.26137
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  15   8  13   6   5   5   2  12   6   1   1
   9   6   9   8   3   2   1   7   6   5   2   1   3   2   5   4
   1   1   3   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    52    53    57    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    49    50    52    53    57    63    54    43    44    47  
   38    39    40    49    52    53    57    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    49    52    53    57    51    43    44    47    48  
   40    41    42    45    52    43    44    47  
   41    42    45    46    49    50    52    54    51    56    43    44    47  
   42    45    46    49    51    43  
   45    46    49    51    43  
   44    47    48    45    52  
   47    48  
   46    49    50    52    53    57    54    55    51    56    58    61  
   49    50    52    54    51    56  
   48  
    0  
   50    52    53    57    63    54    55    51    56  
   52    53    57    54    55    51  
   56    58    59    60    61    62    65    52    54  
   53    57    63    64    67    69    54    55  
   57    63    54  
   55    57  
    0  
   58    59    60    61    62    65    66  
   63    64    67    68    69    70  
   59    60    61    62    65  
   60    61  
   61  
   62    65    66  
   65    66  
   64    67    68    69    70  
   67    68    69    70  
   66  
    0  
   68    69    70  
   69  
   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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   63   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   65   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    54   320.000  1.410
   52    53   340.000  1.090
   52    57   320.000  1.410
   57    63   405.000  1.623
   63    64   675.000  1.490
   63    67   405.000  1.623
   63    69   405.000  1.623
   67    68   553.000  0.945
   69    70   553.000  0.945
   54    55   553.000  0.945
   51    56   440.000  1.360
   56    58   549.000  1.340
   56    61   410.000  1.444
   58    59   340.000  1.080
   58    60   340.000  1.080
   61    62   570.000  1.229
   61    65   450.000  1.364
   65    66   553.000  0.945
   43    44   570.000  1.229
   43    47   450.000  1.364
   47    48   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  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    52    49    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    47    70.00000  108.00000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    49    58.35000  112.70000
   40    45    51    50.00000  109.50000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    58.35000  112.70000
   45    49    54    50.00000  109.50000
   45    51    56    90.00000  111.18400
   49    45    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    57    50.00000  109.50000
   49    54    55    55.00000  108.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    57    63    75.00000  119.24600
   57    52    53    35.00000  109.50000
   57    63    64   100.00000  115.86100
   57    63    67   120.00000  102.38000
   57    63    69   120.00000  102.38000
   63    67    68    50.00000  113.86100
   63    69    70    50.00000  113.86100
   67    63    64   100.00000  115.86100
   69    63    64   100.00000  115.86100
   69    63    67   120.00000  102.38000
   54    49    50    35.00000  109.50000
   54    49    52    50.00000  109.50000
   51    45    46    35.00000  109.50000
   51    45    49    50.00000  109.50000
   51    56    58    80.00000  120.01400
   51    56    61    80.00000  119.00000
   56    58    59    35.00000  120.00000
   56    58    60    35.00000  120.00000
   56    61    62    80.00000  125.30000
   56    61    65    90.00000  111.55000
   60    58    59    35.00000  117.00000
   61    56    58    70.00000  118.70000
   61    65    66    35.00000  113.00000
   65    61    62   100.00000  123.32000
   43    38    39    35.00000  109.50000
   43    38    40    63.00000  111.10000
   43    47    48    35.00000  113.00000
   47    43    44   100.00000  123.32000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    52    49   0.44750  1.0 1.0
   29    33    52    49  -0.17800 -1.0 2.0
   29    33    52    49   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    57   0.56750  1.0 1.0
   29    33    52    57  -0.07550 -1.0 2.0
   29    33    52    57   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.50000  1.0 1.0
   33    38    43    47   0.27300 -1.0 2.0
   33    38    43    47   0.22500  1.0 3.0
   33    52    57    63  -2.65550  1.0 1.0
   33    52    57    63  -0.22350 -1.0 2.0
   33    52    57    63   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    57   0.23400  1.0 3.0
   38    33    52    49   0.56750  1.0 1.0
   38    33    52    49  -0.07550 -1.0 2.0
   38    33    52    49   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    57   0.62750  1.0 1.0
   38    33    52    57  -0.30950 -1.0 2.0
   38    33    52    57   0.27300  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    49   0.56750  1.0 1.0
   38    40   -45    49  -0.07550 -1.0 2.0
   38    40   -45    49   0.20000  1.0 3.0
   38    40    45    51   0.62750  1.0 1.0
   38    40    45    51  -0.30950 -1.0 2.0
   38    40    45    51   0.27300  1.0 3.0
   38    43    47    48   1.50000  1.0 1.0
   38    43    47    48   2.45000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   40    38    43    44   0.30150 -1.0 2.0
   40    38    43    47   0.50000  1.0 1.0
   40    38    43    47   0.27300 -1.0 2.0
   40    38    43    47   0.22500  1.0 3.0
   40    45    49    50   0.15000  1.0 3.0
   40    45    49    52   0.56750  1.0 1.0
   40    45    49    52  -0.07550 -1.0 2.0
   40    45    49    52   0.20000  1.0 3.0
   40    45    49    54   0.86500  1.0 1.0
   40    45    49    54  -0.17500 -1.0 2.0
   40    45    49    54   0.20800  1.0 3.0
   40    45    51    56  -0.46850  1.0 1.0
   40    45    51    56   0.09300 -1.0 2.0
   40    45    51    56  -0.12850  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    49   0.15000  1.0 3.0
   41    40    45    51   0.23400  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    49   0.15000  1.0 3.0
   42    40    45    51   0.23400  1.0 3.0
   45    49   -52    33   0.56750  1.0 1.0
   45    49   -52    33  -0.07550 -1.0 2.0
   45    49   -52    33   0.20000  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    57   0.62750  1.0 1.0
   45    49    52    57  -0.30950 -1.0 2.0
   45    49    52    57   0.27300  1.0 3.0
   45    49    54    55  -0.11600  1.0 1.0
   45    49    54    55  -0.09450 -1.0 2.0
   45    49    54    55   0.21250  1.0 3.0
   45    51    56    58  -2.26850  1.0 1.0
   45    51    56    58   3.39050 -1.0 2.0
   45    51    56    61   0.15100 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    54   0.23400  1.0 3.0
   46    45    51    56   0.08050  1.0 3.0
   49    45    51    56  -0.46850  1.0 1.0
   49    45    51    56   0.09300 -1.0 2.0
   49    45    51    56  -0.12850  1.0 3.0
   49    52    57    63  -2.65550  1.0 1.0
   49    52    57    63  -0.22350 -1.0 2.0
   49    52    57    63   0.24150  1.0 3.0
   50    49    52    33   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    57   0.23400  1.0 3.0
   50    49    54    55   0.19450  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    43  -0.95700  1.0 1.0
   52    33    38    43  -0.18200 -1.0 2.0
   52    33    38    43   0.29450  1.0 3.0
   52    49    54    55  -0.11600  1.0 1.0
   52    49    54    55  -0.09450 -1.0 2.0
   52    49    54    55   0.21250  1.0 3.0
   52    57    63    64   0.00000  1.0 1.0
   52    57    63    67   0.91800  1.0 1.0
   52    57    63    67   0.22900 -1.0 2.0
   52    57    63    67   0.32050  1.0 3.0
   52    57    63    69   0.91800  1.0 1.0
   52    57    63    69   0.22900 -1.0 2.0
   52    57    63    69   0.32050  1.0 3.0
   53    52    57    63   0.03000  1.0 3.0
   57    63    67    68  -0.22900  1.0 1.0
   57    63    67    68   0.09450 -1.0 2.0
   57    63    67    68  -0.07800  1.0 3.0
   57    63    69    70  -0.22900  1.0 1.0
   57    63    69    70   0.09450 -1.0 2.0
   57    63    69    70  -0.07800  1.0 3.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    69    70   0.00000  1.0 1.0
   67    63    69    70  -0.22900  1.0 1.0
   67    63    69    70   0.09450 -1.0 2.0
   67    63    69    70  -0.07800  1.0 3.0
   69    63    67    68  -0.22900  1.0 1.0
   69    63    67    68   0.09450 -1.0 2.0
   69    63    67    68  -0.07800  1.0 3.0
   54    49    52    33   0.86500  1.0 1.0
   54    49    52    33  -0.17500 -1.0 2.0
   54    49    52    33   0.20800  1.0 3.0
   54    49    52    53   0.23400  1.0 3.0
   54    49    52    57   3.69350  1.0 1.0
   54    49    52    57  -1.82950 -1.0 2.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    52   0.62750  1.0 1.0
   51    45    49    52  -0.30950 -1.0 2.0
   51    45    49    52   0.27300  1.0 3.0
   51    45    49    54   3.69350  1.0 1.0
   51    45    49    54  -1.82950 -1.0 2.0
   51    56    58    59   7.00000 -1.0 2.0
   51    56    58    60   7.00000 -1.0 2.0
   51    56    61    62  -0.11900  1.0 1.0
   51    56    61    62   0.76850 -1.0 2.0
   51    56    61    62   0.14100  1.0 3.0
   51    56    61    65   1.50000 -1.0 2.0
   56    61    65    66   1.22000  1.0 1.0
   56    61    65    66   0.17300 -1.0 2.0
   58    56    61    62   1.00000 -1.0 2.0
   58    56    61    65  -0.01000  1.0 1.0
   58    56    61    65   1.29850 -1.0 2.0
   58    56    61    65  -0.09550  1.0 3.0
   61    56    58    59   7.00000 -1.0 2.0
   61    56    58    60   7.00000 -1.0 2.0
   62    61    65    66   0.92200  1.0 1.0
   62    61    65    66   3.74100 -1.0 2.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    45  -0.95700  1.0 1.0
   43    38    40    45  -0.18200 -1.0 2.0
   43    38    40    45   0.29450  1.0 3.0
   44    43    47    48   0.92200  1.0 1.0
   44    43    47    48   3.74100 -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
   51    61    56    58  15.00000 -1.0 2.0
   59    60    58    56  15.00000 -1.0 2.0
   56    65    61    62  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
END
