* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    129    195     371
    1     0 S   NP   _N1_     1    28.58849    96.02045   -22.05723
    2     1 S   H    _HN1     2     1.02835    37.74344   162.32608
    3     1 S   H    _H1_     3     1.02779    94.58551   -84.08961
    4     1 S   H    _H2_     4     1.02959    78.54036    23.70788
    5     1 S   CT   _CA1     5     1.50114   145.85711   133.24176
    6     5 S   HC   _HA1     6     1.09575   105.23097    77.69681
    7     5 S   CO3  _C1_     7     1.53784   112.42052   -42.51895
    8     7 S   O2Z  _O11     8     1.26358   115.00451   -43.29840
    9     7 S   O2Z  _O12     9     1.26240   114.92489   135.91805
   10     5 S   CT   _CB1    10     1.53097   107.43119  -164.38190
   11    10 S   HC   HB11    11     1.09825   109.32410   -50.79634
   12    10 S   HC   HB12    12     1.09819   110.41585    65.75301
   13    10 S   CT   _CG1    13     1.53008   112.67929  -171.89930
   14    13 S   HC   HG11    14     1.09595   110.45463   -64.11555
   15    13 S   HC   HG12    15     1.09655   109.96493    55.10625
   16    13 S   C    _CD1    16     1.51817   112.33998   175.46210
   17    16 S   O    _OE1    17     1.22715   123.26907    -1.42354
   18    16 S   N    _N2_    18     1.38637   111.61973   178.83081
   19    18 S   H    _HN2    19     1.01576   119.00339     1.54142
   20    18 S   CT1  _CA2    20     1.46190   123.41976   179.75134
   21    20 S   HC   _HA2    21     1.09733   109.42448    -3.51224
   22    20 S   C    _C2_    22     1.53494   108.50154  -119.13817
   23    22 S   O    _O2_    23     1.23034   122.16215  -145.71867
   24    20 S   CT   _CB2    32     1.53359   111.50915   118.47983
   25    24 S   HC   HB21    33     1.09601   110.01924    55.86121
   26    24 S   HC   HB22    34     1.09457   110.11098   174.75577
   27    22 S   N    _N3_    24     1.38479   113.51733    41.62733
   28    27 S   H    _HN3    25     1.01503   118.96944    -0.63056
   29    24 S   S    _SG2    35     1.82779   111.74871   -64.97742
   30    27 S   CT   _CA3    26     1.45466   123.55800   175.15350
   31    30 S   HC   HA31    27     1.09513   109.39596    21.48041
   32    30 S   HC   HA32    28     1.09500   107.08782   138.51321
   33    29 S   CT   _C10    36     1.83858    99.07743   174.35698
   34    33 S   HC   _H4_    37     1.08926   107.05785   -49.61109
   35    30 S   CO3  _C3_    29     1.52914   112.98054  -102.10149
   36    35 S   O2Z  _O31    30     1.26412   115.34785   -45.55732
   37    35 S   O2Z  _O32    31     1.26345   115.01445   135.32430
   38    33 S   CM   _C11    38     1.49828   108.98806  -173.44905
   39    38 S   CMA  _C12    39     1.34922   111.70424  -106.81074
   40    39 S   OM   _O35    40     1.26295   127.90205   179.48948
   41    38 S   CT   _C13    59     1.51568   120.95895    77.80451
   42    41 S   HC   _H9_    60     1.09689   110.47632  -145.63305
   43    41 S   HC   _H10    61     1.09735   109.29741   -29.99852
   44    39 S   OS   _O34    41     1.41929   109.76625    -1.92468
   45    33 S   CT   _C9_    42     1.52291   112.75499    75.43696
   46    45 S   HC   _H3_    43     1.09773   109.43561   -14.35720
   47    45 S   C5BC _C8_    44     1.52178   118.64165  -134.97928
   48    47 S   C5BC _C5_    45     1.44837   121.86815   158.45173
   49    48 S   C5A  _C6_    46     1.37405   106.43922   179.95577
   50    49 S   HA   _H8_    47     1.08045   133.56799   179.87805
   51    48 S   CT   _C4_    66     1.48501   127.47264    -0.01978
   52    51 S   HC   _H5_    67     1.09460   110.41408   -66.33972
   53    51 S   HC   _H6_    68     1.09452   110.65048    53.90996
   54    51 S   HC   _H7_    69     1.09496   111.29326   173.77458
   55    49 S   OA   _O33    48     1.34709   110.75759    -0.32385
   56    47 S   C5A  _C7_    49     1.39819   133.31527   -22.49563
   57    56 S   CT   _C17    50     1.50230   137.60575     0.40926
   58    57 S   HC   _H14    51     1.09792   107.16347    76.31390
   59    57 S   HC   _H15    52     1.09849   109.45049  -170.08432
   60    57 S   CM   _C16    53     1.51086   115.75948   -48.32362
   61    60 S   CM   _C15    54     1.34804   118.64761   115.03531
   62    61 S   HC   _H13    55     1.08948   118.86389     9.08026
   63    60 S   CT   _C18    62     1.50461   115.66924   -58.93101
   64    63 S   HC   _H16    63     1.09572   109.65104   -53.21605
   65    63 S   HC   _H17    64     1.09250   113.02480  -171.69397
   66    63 S   HC   _H18    65     1.09343   111.29993    66.30013
   67    61 S   CT   _C14    56     1.50213   125.23157  -153.72044
   68    67 S   HC   _H11    57     1.09582   109.51651  -143.11820
   69    67 S   HC   _H12    58     1.09351   112.42818   -25.14682
  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  13   9   3  10   5   4   5   8   3  13   9
   8   3   5   2   1   1   5   6  10   4   3   9   8   4   4   2
   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    45    46    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    47    48    56    67    41    42    43  
   38    39    44    45    46    47    41  
   36    37  
   37  
    0  
   39    40    44    45    46    47    61    67    68    69    41    42    43  
   40    44    45    46    47    67    41    42    43  
   44    45    41  
   42    43    44    45    60    61    62    67    68    69  
   43    61    67    68    69  
   61    67    68    69  
   45    46    47    48    56  
   46    47    48    49    55    56    57    51  
   47    48    56  
   48    49    50    55    56    57    58    59    60    51    52    53    54  
   49    50    55    56    57    51    52    53    54  
   50    55    56    57    51    52    53    54  
   55    56    51  
   52    53    54    55    56  
   53    54  
   54  
    0  
   56    57    58    59    60  
   57    58    59    60    61    63  
   58    59    60    61    62    67    63    64    65    66  
   59    60    61    63  
   60    61    63  
   61    62    67    68    69    63    64    65    66  
   62    67    68    69    63    64    65    66  
   67    68    69    63  
   64    65    66    67  
   65    66  
   66  
    0  
   68    69  
   69  
    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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.285000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   56   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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
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    45   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   440.000  1.360
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   285.000  1.502
   47    48   469.000  1.424
   47    56   546.000  1.367
   48    49   546.000  1.367
   48    51   285.000  1.502
   49    50   367.000  1.080
   49    55   340.000  1.360
   55    56   340.000  1.360
   56    57   295.000  1.489
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.510
   60    61   549.000  1.340
   60    63   317.000  1.510
   61    62   340.000  1.080
   61    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
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    45    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    45    44    50.00000  109.50000
   33    45    46    37.50000  110.70000
   33    45    47    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    80.00000  120.01400
   38    41    67    70.00000  112.02700
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   39    44    45    90.00000  111.18400
   44    39    40    65.00000  121.00000
   44    45    46    35.00000  109.50000
   44    45    47    85.00000  111.85700
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    47    48    60.00000  130.00000
   45    47    56    60.00000  130.00000
   47    45    46    35.00000  109.50000
   47    48    49    70.00000  107.30000
   47    48    51    60.00000  130.00000
   47    56    55    70.00000  110.60000
   47    56    57    50.00000  133.50000
   48    49    50    35.00000  132.10000
   48    49    55    70.00000  110.60000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   49    55    56    70.00000  106.50000
   55    49    50    35.00000  113.40000
   55    56    57    80.00000  116.10000
   56    47    48    70.00000  107.30000
   56    57    58    45.00000  110.47400
   56    57    59    45.00000  110.47400
   56    57    60    70.00000  112.40000
   57    60    61    70.00000  124.00000
   57    60    63    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    61    62    35.00000  120.00000
   60    61    67    70.00000  124.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    41    70.00000  112.02700
   67    61    62    35.00000  117.00000
   67    41    42    37.50000  110.70000
   67    41    43    37.50000  110.70000
   69    67    68    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    67    68    37.50000  110.70000
   41    67    69    37.50000  110.70000
   43    41    42    33.00000  107.80000
   63    60    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   51    48    49    60.00000  130.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    45    44   0.56750  1.0 1.0
   29    33    45    44  -0.07550 -1.0 2.0
   29    33    45    44   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.56750  1.0 1.0
   29    33    45    47  -0.07550 -1.0 2.0
   29    33    45    47   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    44   7.00000 -1.0 2.0
   33    38    41    67   0.46850  1.0 1.0
   33    38    41    67   0.08550 -1.0 2.0
   33    38    41    67   0.09800  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    45    47    48   0.04150 -1.0 2.0
   33    45    47    56   0.04150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    45    44   0.23400  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    47   0.43200  1.0 3.0
   38    33   -45    44   0.61850  1.0 1.0
   38    33   -45    44  -0.22750 -1.0 2.0
   38    33   -45    44   0.15300  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    47   0.21200  1.0 1.0
   38    33    45    47   0.16900 -1.0 2.0
   38    33    45    47  -1.15100  1.0 3.0
   38    39   -44    45  -2.26850  1.0 1.0
   38    39   -44    45   3.39050 -1.0 2.0
   39    38    41    67   0.09850  1.0 1.0
   39    38    41    67   0.15250 -1.0 2.0
   39    38    41    67  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    44   -45    33  -0.46850  1.0 1.0
   39    44   -45    33   0.09300 -1.0 2.0
   39    44   -45    33  -0.12850  1.0 3.0
   39    44    45    46   0.08050  1.0 3.0
   39    44    45    47  -0.48150  1.0 1.0
   39    44    45    47   0.09250 -1.0 2.0
   39    44    45    47  -0.12850  1.0 3.0
   40    39    44    45   2.00000 -1.0 2.0
   44    45    47    48   0.64500  1.0 1.0
   44    45    47    48   0.14800 -1.0 2.0
   44    45    47    48   0.20650  1.0 3.0
   44    45    47    56   0.64500  1.0 1.0
   44    45    47    56   0.14800 -1.0 2.0
   44    45    47    56   0.20650  1.0 3.0
   45    33   -38    39   0.09850  1.0 1.0
   45    33   -38    39   0.15250 -1.0 2.0
   45    33   -38    39  -0.50650  1.0 3.0
   45    33    38    41   0.46850  1.0 1.0
   45    33    38    41   0.08550 -1.0 2.0
   45    33    38    41   0.09800  1.0 3.0
   45    47    48    49   3.62500 -1.0 2.0
   45    47    48    51   3.62500 -1.0 2.0
   45    47    56    55   3.62500 -1.0 2.0
   45    47    56    57   3.62500 -1.0 2.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    56   0.00000  1.0 1.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48   -49    55   3.62500 -1.0 2.0
   47    48    51    52   0.00000  1.0 1.0
   47    48    51    53   0.00000  1.0 1.0
   47    48    51    54   0.00000  1.0 1.0
   47    56    57    58   0.00000  1.0 1.0
   47    56    57    59   0.00000  1.0 1.0
   47    56    57    60   0.18050 -1.0 2.0
   48    47   -56    55   3.62500 -1.0 2.0
   48    47    56    57   3.62500 -1.0 2.0
   48    49   -55    56   3.62500 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   49    48    51    54   0.00000  1.0 1.0
   49    55   -56    47   3.62500 -1.0 2.0
   49    55    56    57   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   55    56    57    58   0.00000  1.0 1.0
   55    56    57    59   0.00000  1.0 1.0
   55    56    57    60   0.04300 -1.0 2.0
   56    47   -48    49   3.62500 -1.0 2.0
   56    47    48    51   3.62500 -1.0 2.0
   56    57    60    61   1.44450  1.0 1.0
   56    57    60    61   0.06600 -1.0 2.0
   56    57    60    61   0.29250  1.0 3.0
   56    57    60    63   0.09700  1.0 1.0
   56    57    60    63   0.15600 -1.0 2.0
   56    57    60    63  -0.50800  1.0 3.0
   57    60    61    62   7.00000 -1.0 2.0
   57    60    61    67   7.00000 -1.0 2.0
   57    60    63    64   0.34800  1.0 3.0
   57    60    63    65   0.34800  1.0 3.0
   57    60    63    66   0.34800  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    63   0.34800  1.0 3.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    63   0.34800  1.0 3.0
   60    61    67    68   0.00000  1.0 1.0
   60    61    67    69   0.00000  1.0 1.0
   60    61    67    41   0.09850  1.0 1.0
   60    61    67    41   0.15250 -1.0 2.0
   60    61    67    41  -0.50650  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    65   0.00000  1.0 1.0
   61    60    63    66   0.00000  1.0 1.0
   61    67    41    38   0.31000  1.0 1.0
   61    67    41    38   0.14700 -1.0 2.0
   61    67    41    38   0.07550  1.0 3.0
   61    67    41    42   0.15000  1.0 3.0
   61    67    41    43   0.15000  1.0 3.0
   62    61    67    68   0.33100  1.0 3.0
   62    61    67    69   0.33100  1.0 3.0
   62    61    67    41   0.00000  1.0 1.0
   68    67    41    38   0.15000  1.0 3.0
   68    67    41    42   0.15000  1.0 3.0
   68    67    41    43   0.15000  1.0 3.0
   69    67    41    38   0.15000  1.0 3.0
   69    67    41    42   0.15000  1.0 3.0
   69    67    41    43   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   63    60    61    62   7.00000 -1.0 2.0
   63    60    61    67   7.00000 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    55   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    44    39    38   1.10000 -1.0 2.0
   48    56    47    45   4.00000 -1.0 2.0
   49    51    48    47   4.00000 -1.0 2.0
   55    50    49    48   1.10000 -1.0 2.0
   55    57    56    47   4.00000 -1.0 2.0
   57    63    60    61   1.10000 -1.0 2.0
   67    62    61    60   1.10000 -1.0 2.0
END
