* LIGAND DATABASE FILE (OPLS2005)
*
001      60    61    115    182     332
    1     0 S   NP   _N1_     1    27.98425    96.17833   -23.30861
    2     1 S   H    _HN1     2     1.02777   105.99588  -111.28786
    3     1 S   H    _H1_     3     1.02957    79.25807    -5.10603
    4     1 S   H    _H2_     4     1.02835    30.48833   150.49528
    5     1 S   CT   _CA1     5     1.50139   134.12780   102.95951
    6     5 S   HC   _HA1     6     1.09577   105.19693    82.78464
    7     5 S   CO3  _C1_     7     1.53764   112.33333   -37.36534
    8     7 S   O2Z  _O11     8     1.26365   114.99279   -44.44633
    9     7 S   O2Z  _O12     9     1.26231   114.91827   134.55028
   10     5 S   CT   _CB1    10     1.53085   107.41057  -159.35136
   11    10 S   HC   HB11    11     1.09830   109.26569   -50.61204
   12    10 S   HC   HB12    12     1.09814   110.45714    65.91570
   13    10 S   CT   _CG1    13     1.53040   112.71449  -171.67978
   14    13 S   HC   HG11    14     1.09591   110.52560   -65.53982
   15    13 S   HC   HG12    15     1.09660   109.88842    53.68004
   16    13 S   C    _CD1    16     1.51855   112.23632   174.00109
   17    16 S   O    _OE1    17     1.22766   123.25540     2.38261
   18    16 S   N    _N2_    18     1.38579   111.80571  -177.57650
   19    18 S   H    _HN2    19     1.01563   119.05435     3.92396
   20    18 S   CT1  _CA2    20     1.45805   122.75309   177.12030
   21    20 S   HC   _HA2    21     1.09735   108.88969    24.89630
   22    20 S   C    _C2_    22     1.52956   107.03752   -92.05488
   23    22 S   O    _O2_    23     1.22970   123.08036   -26.51205
   24    20 S   CT   _CB2    32     1.53167   112.40218   148.07886
   25    24 S   HC   HB21    33     1.09602   110.37239    53.85401
   26    24 S   HC   HB22    34     1.09449   110.01299   172.67014
   27    22 S   N    _N3_    24     1.38499   112.51903   156.24308
   28    27 S   H    _HN3    25     1.01652   120.35085    -2.35634
   29    24 S   S    _SG2    35     1.82592   111.23960   -66.69297
   30    27 S   CT   _CA3    26     1.45355   122.53533   178.53340
   31    30 S   HC   HA31    27     1.09565   107.88008   -54.48548
   32    30 S   HC   HA32    28     1.09560   107.56287    61.87545
   33    29 S   CT   _C11    36     1.84461    99.27213  -177.37527
   34    33 S   HC   _H5_    37     1.09694   106.53804   -42.54286
   35    30 S   CO3  _C3_    29     1.52898   114.26945  -176.40811
   36    35 S   O2Z  _O31    30     1.26344   116.03954     0.58383
   37    35 S   O2Z  _O32    31     1.26430   114.42130  -179.47325
   38    33 S   CM   _C9_    38     1.52523   108.80820  -159.76186
   39    38 S   C4T  _C8_    39     1.51003   115.66427  -107.35366
   40    39 S   HC   _H4_    40     1.09486   114.65634   166.70271
   41    38 S   CMA  _C10    58     1.35229   123.52540    79.09978
   42    41 S   OM   _O33    59     1.25972   133.39134   176.27469
   43    41 S   HC   _H11    60     1.09250   111.92587    -3.49256
   44    39 S   C4T  _C7_    41     1.56652   111.47870    35.99466
   45    44 S   HC   _H9_    42     1.09340   117.61816    38.12551
   46    44 S   HC   _H10    43     1.09557   115.12478   164.16776
   47    39 S   C4T  _C5_    49     1.58945   112.42426   -58.71298
   48    44 S   C4T  _C6_    44     1.55637    85.04957   -80.12303
   49    48 S   HC   _H3_    45     1.09529   115.02931  -148.19078
   50    47 S   CT   _C4_    50     1.53403   118.06247   -37.37818
   51    50 S   HC   _H6_    51     1.09578   110.51946   168.98570
   52    50 S   HC   _H7_    52     1.09240   113.69645    48.76866
   53    50 S   HC   _H8_    53     1.09578   110.54775   -71.62232
   54    47 S   CT   _C13    54     1.54120   114.60398  -165.76351
   55    54 S   HC   _H14    55     1.09575   110.47455  -166.87603
   56    54 S   HC   _H15    56     1.09579   110.43100    73.73526
   57    54 S   HC   _H16    57     1.09278   113.55923   -46.52701
   58    33 S   CT   _C12    46     1.55546   111.22749    75.32530
   59    58 S   HC   _H12    47     1.09723   109.14017  -130.37052
   60    58 S   HC   _H13    48     1.09629   111.99482   -13.96788
  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  15  19   8   5   1   1  10   5   4  13  12
   5   8   3   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    58    59    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    49    58    59    60    47    41    42    43  
   38    39    48    58    59    60    41  
   36    37  
   37  
    0  
   39    40    44    45    46    48    58    59    60    47    50    54    41    42    43  
   40    44    45    46    48    49    58    47    50    51    52    53    54    55    56    57    41    42    43  
   44    45    46    48    47    50    54    41  
   42    43    44    47    58  
   43  
    0  
   45    46    48    49    58    59    60    47    50    54  
   46    48    49    58    47  
   48    49    58    47  
   50    51    52    53    54    55    56    57    48    49    58    59    60  
   49    58    59    60    50    51    52    53    54    55    56    57  
   58    59    60    50    54  
   51    52    53    54    55    56    57    58  
   52    53    54  
   53    54  
   54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60  
   60  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    58   268.000  1.529
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    58   260.000  1.519
   48    47   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   47    50   260.000  1.519
   47    54   260.000  1.519
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   41    42   745.000  1.250
   41    43   335.000  1.111
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    58    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    58    48    70.00000  112.98000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    39    47    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    43    45.00000  105.30000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    48    63.00000   92.00000
   39    47    48    63.00000   92.00000
   39    47    50    65.00000  119.52000
   39    47    54    65.00000  119.52000
   44    39    40    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    58    65.00000  119.52000
   44    48    47    63.00000   92.00000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    58    59    45.00000  111.22300
   48    58    60    45.00000  111.22300
   48    47    50    65.00000  119.52000
   48    47    54    65.00000  119.52000
   58    33    34    37.50000  110.70000
   58    33    38    70.00000  112.02700
   58    48    49    45.00000  112.72800
   60    58    59    33.00000  107.80000
   47    39    40    37.50000  110.70000
   47    39    44    63.00000   92.00000
   47    48    49    37.50000  110.70000
   47    48    58    65.00000  119.52000
   47    50    51    45.00000  111.22300
   47    50    52    45.00000  111.22300
   47    50    53    45.00000  111.22300
   47    54    55    45.00000  111.22300
   47    54    56    45.00000  111.22300
   47    54    57    45.00000  111.22300
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    47    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   41    38    39    70.00000  124.00000
   43    41    42    50.00000  124.16400
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    39    47   0.46850  1.0 1.0
   33    38    39    47   0.08550 -1.0 2.0
   33    38    39    47   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    60   0.15000  1.0 3.0
   38    33    58    48   0.34400  1.0 1.0
   38    33    58    48   0.09450 -1.0 2.0
   38    33    58    48   0.11100  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    60   0.15000  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39    44    46   0.15000  1.0 3.0
   38    39   -44    48   0.34400  1.0 1.0
   38    39   -44    48   0.09450 -1.0 2.0
   38    39   -44    48   0.11100  1.0 3.0
   38    39   -47    48   0.34400  1.0 1.0
   38    39   -47    48   0.09450 -1.0 2.0
   38    39   -47    48   0.11100  1.0 3.0
   38    39    47    50   0.34400  1.0 1.0
   38    39    47    50   0.09450 -1.0 2.0
   38    39    47    50   0.11100  1.0 3.0
   38    39    47    54   0.34400  1.0 1.0
   38    39    47    54   0.09450 -1.0 2.0
   38    39    47    54   0.11100  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    48    49   0.15000  1.0 3.0
   39    44    48    58  -0.70950  1.0 1.0
   39    44    48    58   0.38400 -1.0 2.0
   39    44   -48    47   0.00000  1.0 1.0
   39    47    50    51   0.00000  1.0 1.0
   39    47    50    52   0.00000  1.0 1.0
   39    47    50    53   0.00000  1.0 1.0
   39    47    54    55   0.00000  1.0 1.0
   39    47    54    56   0.00000  1.0 1.0
   39    47    54    57   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39   -47    48   0.15000  1.0 3.0
   40    39    47    50   0.15000  1.0 3.0
   40    39    47    54   0.15000  1.0 3.0
   44    39   -47    48   0.00000  1.0 1.0
   44    39    47    50  -0.70950  1.0 1.0
   44    39    47    50   0.38400 -1.0 2.0
   44    39    47    54  -0.70950  1.0 1.0
   44    39    47    54   0.38400 -1.0 2.0
   44    48   -58    33   0.04050  1.0 1.0
   44    48   -58    33   0.63700 -1.0 2.0
   44    48   -58    33   0.17650  1.0 3.0
   44    48    58    59   0.00000  1.0 1.0
   44    48    58    60   0.00000  1.0 1.0
   44    48   -47    39   0.00000  1.0 1.0
   44    48   -47    50  -0.70950  1.0 1.0
   44    48   -47    50   0.38400 -1.0 2.0
   44    48   -47    54  -0.70950  1.0 1.0
   44    48   -47    54   0.38400 -1.0 2.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    58   0.15000  1.0 3.0
   45    44    48    47   0.15000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    58   0.15000  1.0 3.0
   46    44    48    47   0.15000  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    53   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    56   0.00000  1.0 1.0
   48    47    54    57   0.00000  1.0 1.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    60   0.15000  1.0 3.0
   49    48   -47    39   0.15000  1.0 3.0
   49    48    47    50   0.15000  1.0 3.0
   49    48    47    54   0.15000  1.0 3.0
   58    33   -38    39   0.46850  1.0 1.0
   58    33   -38    39   0.08550 -1.0 2.0
   58    33   -38    39   0.09800  1.0 3.0
   58    33    38    41   0.09850  1.0 1.0
   58    33    38    41   0.15250 -1.0 2.0
   58    33    38    41  -0.50650  1.0 3.0
   58    48   -47    39  -0.70950  1.0 1.0
   58    48   -47    39   0.38400 -1.0 2.0
   58    48    47    50   0.56750  1.0 1.0
   58    48    47    50  -0.07550 -1.0 2.0
   58    48    47    50   0.20000  1.0 3.0
   58    48    47    54   0.56750  1.0 1.0
   58    48    47    54  -0.07550 -1.0 2.0
   58    48    47    54   0.20000  1.0 3.0
   47    39   -44    45   0.15000  1.0 3.0
   47    39   -44    46   0.15000  1.0 3.0
   47    39   -44    48   0.00000  1.0 1.0
   47    48   -58    33   0.04050  1.0 1.0
   47    48   -58    33   0.63700 -1.0 2.0
   47    48   -58    33   0.17650  1.0 3.0
   47    48    58    59   0.00000  1.0 1.0
   47    48    58    60   0.00000  1.0 1.0
   50    47    54    55   0.15000  1.0 3.0
   50    47    54    56   0.15000  1.0 3.0
   50    47    54    57   0.15000  1.0 3.0
   54    47    50    51   0.15000  1.0 3.0
   54    47    50    52   0.15000  1.0 3.0
   54    47    50    53   0.15000  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    44   0.09850  1.0 1.0
   41    38    39    44   0.15250 -1.0 2.0
   41    38    39    44  -0.50650  1.0 3.0
   41    38    39    47   0.09850  1.0 1.0
   41    38    39    47   0.15250 -1.0 2.0
   41    38    39    47  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
