* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     98    152     291
    1     0 S   NP   _N1_     1    27.99153    95.15002   -24.35469
    2     1 S   H    _HN1     2     1.02836    22.95134   155.08970
    3     1 S   H    _H1_     3     1.02778   107.33878  -109.88962
    4     1 S   H    _H2_     4     1.02957    85.98492    -1.93806
    5     1 S   CT   _CA1     5     1.50138   128.52763   111.07168
    6     5 S   HC   _HA1     6     1.09575   105.21240    76.10323
    7     5 S   CO3  _C1_     7     1.53774   112.26619   -44.08375
    8     7 S   O2Z  _O11     8     1.26365   115.00387   -45.86879
    9     7 S   O2Z  _O12     9     1.26223   114.91984   133.10459
   10     5 S   CT   _CB1    10     1.53081   107.40623  -166.02188
   11    10 S   HC   HB11    11     1.09831   109.32888   -50.38965
   12    10 S   HC   HB12    12     1.09815   110.43951    66.14791
   13    10 S   CT   _CG1    13     1.53041   112.69716  -171.43113
   14    13 S   HC   HG11    14     1.09591   110.53735   -64.45252
   15    13 S   HC   HG12    15     1.09655   109.90150    54.77781
   16    13 S   C    _CD1    16     1.51851   112.18851   175.14740
   17    16 S   O    _OE1    17     1.22770   123.22702     2.16247
   18    16 S   N    _N2_    18     1.38540   111.81939  -177.89439
   19    18 S   H    _HN2    19     1.01572   119.17429     4.02472
   20    18 S   CT1  _CA2    20     1.45890   122.79866   177.98045
   21    20 S   HC   _HA2    21     1.09728   108.86251    25.60622
   22    20 S   C    _C2_    22     1.52943   106.79391   -91.46516
   23    22 S   O    _O2_    23     1.23005   122.98169   -28.55894
   24    20 S   CT   _CB2    32     1.53313   112.35820   148.77122
   25    24 S   HC   HB21    33     1.09453   109.64574    55.85136
   26    24 S   HC   HB22    34     1.09361   109.52473   174.37667
   27    22 S   N    _N3_    24     1.38500   112.71470   153.96970
   28    27 S   H    _HN3    25     1.01667   120.38318    -1.15961
   29    24 S   S    _SG2    35     1.82986   110.69207   -65.01182
   30    27 S   CT   _CA3    26     1.45361   122.31806   178.80074
   31    30 S   HC   HA31    27     1.09570   107.54635   -61.30418
   32    30 S   HC   HA32    28     1.09572   107.82546    54.96256
   33    29 S   CT   _C12    36     1.88875   101.81375  -178.78131
   34    30 S   CO3  _C3_    29     1.52859   114.51011   176.92317
   35    34 S   O2Z  _O31    30     1.26308   116.12722    -1.04117
   36    34 S   O2Z  _O32    31     1.26463   114.37479   179.01008
   37    33 S   CT   _C10    37     1.55138   105.26986   173.11111
   38    37 S   HC   _H19    38     1.09717   111.44525    61.70415
   39    37 S   HC   _H20    39     1.09804   111.70746   -57.56740
   40    33 S   CM   _C8_    50     1.54201   104.99502   -67.16863
   41    40 S   HC   _H18    51     1.08964   114.31766    77.63758
   42    37 S   CO4  _C6_    40     1.51686   112.08956  -177.10072
   43    42 S   O    _O34    41     1.23137   121.49238  -153.47749
   44    40 S   CM   _C7_    52     1.34297   128.37375  -103.41366
   45    44 S   HC   _H17    53     1.08679   120.69817     0.90049
   46    42 S   CM   _C5_    42     1.48818   118.93008    29.31686
   47    44 S   CO3  _C9_    54     1.53612   122.06215  -179.40390
   48    47 S   O2Z  _O10    55     1.26638   113.87480   178.13386
   49    47 S   O2Z  _O13    56     1.26258   117.07087    -1.93896
   50    46 S   CM   _C4_    43     1.34003   120.02695     0.10468
   51    50 S   HC   _H16    44     1.08931   118.27644   178.71412
   52    46 S   OH   _O14    48     1.37846   118.47491   178.52170
   53    52 S   HO   _H22    49     0.97421   106.52927     0.80697
   54    33 S   CT   _C11    45     1.58416   114.21904    52.59740
   55    54 S   OM   _O33    46     1.32553   111.93830    51.59147
   56    54 S   HC   _H21    47     1.10100   106.38428   -79.56669
  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  12   5   4   3
  16   2   1   1  13   6   5  11   4   7   3   5   3   7   2   1
   1   6   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    54    55    56    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    50    51    54    55    56    40    41    44    45    47  
   35    36  
   36  
    0  
   38    39    42    43    46    50    54    55    56    52    40    41    44  
   39    42    43    46    54    40  
   42    43    46    54    40  
   41    44    45    47    48    49    42    50    54    55    56  
   44    45    47    54  
   43    46    50    51    54    52    53  
   46    50    52  
   45    47    48    49    54  
   47    48    49  
   50    51    54    55    56    52    53  
   48    49  
   49  
    0  
   51    54    55    56    52    53  
   54    55    56    52  
   53    54  
    0  
   55    56  
   56  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    54   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    46   320.000  1.462
   46    50   549.000  1.340
   46    52   510.000  1.338
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   570.000  1.307
   54    56   340.000  1.090
   52    53   553.000  0.945
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   340.000  1.080
   44    47   230.000  1.545
   47    48   656.000  1.250
   47    49   656.000  1.250
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    54    50    70.00000  112.02700
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   37    42    43    80.00000  120.40000
   37    42    46    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    50    65.00000  118.96000
   42    46    52    85.00000  116.28000
   46    42    43    80.00000  123.72100
   46    50    51    35.00000  120.00000
   46    50    54    70.00000  124.00000
   46    52    53    70.00000  107.45700
   50    54    55    85.00000  110.90400
   50    54    56    35.00000  109.50000
   54    33    37    58.35000  112.70000
   54    50    51    35.00000  117.00000
   56    54    55    45.00000  125.66300
   52    46    50    80.00000  121.38400
   40    33    37    70.00000  112.02700
   40    33    54    70.00000  112.02700
   40    44    45    35.00000  120.00000
   40    44    47    55.00000  124.75400
   44    40    41    35.00000  120.00000
   44    47    48    85.00000  113.83300
   44    47    49    85.00000  113.83300
   47    44    45    40.00000  118.53000
   49    47    48    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    54    50   0.56750  1.0 1.0
   29    33    54    50  -0.07550 -1.0 2.0
   29    33    54    50   0.20000  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    46   0.65300  1.0 1.0
   33    37    42    46  -0.03850 -1.0 2.0
   33    37    42    46   0.33900  1.0 3.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   37    33    54    50   0.34400  1.0 1.0
   37    33    54    50   0.09450 -1.0 2.0
   37    33    54    50   0.11100  1.0 3.0
   37    33    54    55   0.62750  1.0 1.0
   37    33    54    55  -0.30950 -1.0 2.0
   37    33    54    55   0.27300  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    44   0.09850  1.0 1.0
   37    33    40    44   0.15250 -1.0 2.0
   37    33    40    44  -0.50650  1.0 3.0
   37    42   -46    50  -0.33500  1.0 1.0
   37    42   -46    50   1.06600 -1.0 2.0
   37    42   -46    50  -0.14000  1.0 3.0
   37    42    46    52   0.32450 -1.0 2.0
   37    42    46    52   0.17400  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    46   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    46   0.00000  1.0 1.0
   42    46    50    51   7.00000 -1.0 2.0
   42    46    50    54   7.00000 -1.0 2.0
   42    46    52    53   2.00000 -1.0 2.0
   43    42    46    50   1.00000 -1.0 2.0
   43    42    46    52  -0.11900  1.0 1.0
   43    42    46    52   0.76850 -1.0 2.0
   43    42    46    52   0.14100  1.0 3.0
   46    50   -54    33   0.09850  1.0 1.0
   46    50   -54    33   0.15250 -1.0 2.0
   46    50   -54    33  -0.50650  1.0 3.0
   46    50    54    55   0.39000  1.0 1.0
   46    50    54    55  -0.05800 -1.0 2.0
   46    50    54    55  -0.55150  1.0 3.0
   46    50    54    56   0.00000  1.0 1.0
   50    46    52    53  -0.66100  1.0 1.0
   50    46    52    53   1.20850 -1.0 2.0
   50    46    52    53  -0.36000  1.0 3.0
   51    50    54    33   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.33100  1.0 3.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    42  -0.95700  1.0 1.0
   54    33   -37    42  -0.18200 -1.0 2.0
   54    33   -37    42   0.29450  1.0 3.0
   54    33    40    41   0.00000  1.0 1.0
   54    33    40    44   0.09850  1.0 1.0
   54    33    40    44   0.15250 -1.0 2.0
   54    33    40    44  -0.50650  1.0 3.0
   52    46    50    51   7.00000 -1.0 2.0
   52    46    50    54   7.00000 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.98800  1.0 1.0
   40    33    37    42   0.48800 -1.0 2.0
   40    33    37    42   0.76800  1.0 3.0
   40    33    54    50   0.31000  1.0 1.0
   40    33    54    50   0.14700 -1.0 2.0
   40    33    54    50   0.07550  1.0 3.0
   40    33    54    55   0.61850  1.0 1.0
   40    33    54    55  -0.22750 -1.0 2.0
   40    33    54    55   0.15300  1.0 3.0
   40    33    54    56   0.15000  1.0 3.0
   40    44    47    48  -0.04000 -1.0 2.0
   40    44    47    48  -0.29050  1.0 3.0
   40    44    47    49  -0.04000 -1.0 2.0
   40    44    47    49  -0.29050  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
   42    52    46    50   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   47    45    44    40  15.00000 -1.0 2.0
   48    44    47    49  10.50000 -1.0 2.0
END
