* LIGAND DATABASE FILE (OPLS2005)
*
001      55    56     96    153     284
    1     0 S   NP   _N1_     1    28.09434    95.49451   -22.52840
    2     1 S   H    _HN1     2     1.02957    83.03384    -8.55743
    3     1 S   H    _H1_     3     1.02837    29.47505   136.25509
    4     1 S   H    _H2_     4     1.02777   100.55543  -115.98017
    5     1 S   CT   _CA1     5     1.50138   137.09223   104.04906
    6     5 S   HC   _HA1     6     1.09577   105.20474    75.53008
    7     5 S   CO3  _C1_     7     1.53778   112.28205   -44.63081
    8     7 S   O2Z  _O11     8     1.26365   115.00005   -45.52103
    9     7 S   O2Z  _O12     9     1.26229   114.92492   133.44504
   10     5 S   CT   _CB1    10     1.53086   107.40385  -166.61319
   11    10 S   HC   HB11    11     1.09830   109.30982   -50.52432
   12    10 S   HC   HB12    12     1.09815   110.45156    66.01757
   13    10 S   CT   _CG1    13     1.53031   112.68400  -171.57797
   14    13 S   HC   HG11    14     1.09593   110.51314   -64.75154
   15    13 S   HC   HG12    15     1.09658   109.90167    54.45694
   16    13 S   C    _CD1    16     1.51855   112.24180   174.80767
   17    16 S   O    _OE1    17     1.22769   123.24732     1.66201
   18    16 S   N    _N2_    18     1.38540   111.77062  -178.29406
   19    18 S   H    _HN2    19     1.01562   119.16570     3.81906
   20    18 S   CT1  _CA2    20     1.45825   122.85171   177.95436
   21    20 S   HC   _HA2    21     1.09746   108.84893    25.89826
   22    20 S   C    _C2_    22     1.53066   107.29348   -90.89277
   23    22 S   O    _O2_    23     1.22975   123.20448   -22.11651
   24    20 S   CT   _CB2    32     1.53256   112.28906   148.99171
   25    24 S   HC   HB21    33     1.09535   109.97109    54.93485
   26    24 S   HC   HB22    34     1.09384   109.57442   173.58675
   27    22 S   N    _N3_    24     1.38555   112.49679   160.22211
   28    27 S   H    _HN3    25     1.01663   120.27671    -2.22176
   29    24 S   S    _SG2    35     1.83003   111.08536   -65.95041
   30    27 S   CT   _CA3    26     1.45330   122.53730   178.17608
   31    30 S   HC   HA31    27     1.09571   107.90166   -52.75139
   32    30 S   HC   HA32    28     1.09555   107.53755    63.59960
   33    29 S   CT   _C11    36     1.84499   100.92363  -172.98533
   34    33 S   OM   _O35    37     1.31754   109.54135   179.97202
   35    30 S   CO3  _C3_    29     1.52891   114.32116  -174.79418
   36    35 S   O2Z  _O31    30     1.26333   116.09110    -2.86430
   37    35 S   O2Z  _O32    31     1.26440   114.40174   177.15394
   38    33 S   CM   _C12    38     1.49506   109.77722   -61.63032
   39    38 S   HC   _H5_    39     1.09559   114.59540   -58.02994
   40    38 S   CMA  _C13    40     1.35436   129.21628   120.90772
   41    40 S   OM   _O34    41     1.26775   123.99939  -178.89058
   42    40 S   CA   _C8_    42     1.52073   114.83533     1.05332
   43    42 S   CA   _C9_    43     1.41116   121.94989    -0.22381
   44    43 S   CA   _C4_    44     1.40968   121.68210  -179.67555
   45    44 S   HA   _H3_    45     1.08716   120.62364   179.72164
   46    33 S   CO4  _C10    54     1.52033   108.45965    63.76323
   47    46 S   O    _O33    55     1.23287   122.94663    56.36763
   48    44 S   CA   _C5_    46     1.38782   120.21063    -0.13706
   49    48 S   CA   _C6_    47     1.38264   120.18864    -0.06256
   50    49 S   HA   _H4_    48     1.08663   120.29644  -179.95577
   51    48 S   OH   _O37    52     1.36523   121.31877   179.87489
   52    51 S   HO   _H7_    53     0.97248   108.55260    -1.23717
   53    42 S   CA   _C7_    49     1.42228   122.36544   179.86878
   54    53 S   OH   _O36    50     1.37512   123.28424    -0.18975
   55    54 S   HO   _H6_    51     0.97555   107.30051    -0.26834
  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   8   5   4   3
  10   6   2   1   1   8   4   8   3  11   9   9   4   3   1   6
   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47  
   38    39    40    43    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    53    46    47  
   40    41    42    46  
   41    42    43    44    49    53    54    46  
   42    43    53  
   43    44    45    48    49    50    53    54    55    46    47  
   44    45    48    49    53    54    51    46    47  
   45    48    49    50    53    51    52    46    47  
   48    49    51    46  
   47    48    53  
    0  
   49    50    53    54    51    52  
   50    53    54    55    51    52  
   53    54    51  
   52    53  
    0  
   54    55  
   55  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    46   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    53   469.000  1.400
   43    44   469.000  1.400
   43    46   310.000  1.470
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   469.000  1.400
   48    51   450.000  1.364
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   450.000  1.364
   54    55   553.000  0.945
   51    52   553.000  0.945
   46    47   570.000  1.229
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    43    65.00000  115.47100
   33    46    47    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    53    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  119.52600
   42    53    49    63.00000  120.00000
   42    53    54    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    75.00000  123.78400
   44    48    49    63.00000  120.00000
   44    48    51    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    53    63.00000  120.00000
   48    51    52    35.00000  113.00000
   49    53    54    70.00000  120.00000
   53    42    43    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    54    55    35.00000  113.00000
   51    48    49    70.00000  120.00000
   46    33    34    90.00000  108.74100
   46    33    38    70.00000  109.06800
   46    43    44    60.00000  119.52600
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    43   0.65300  1.0 1.0
   29    33    46    43  -0.03850 -1.0 2.0
   29    33    46    43   0.33900  1.0 3.0
   29    33    46    47   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    46    43   0.65300  1.0 1.0
   34    33    46    43  -0.03850 -1.0 2.0
   34    33    46    43   0.33900  1.0 3.0
   34    33    46    47   0.30150 -1.0 2.0
   38    33    46    43   0.65300  1.0 1.0
   38    33    46    43  -0.03850 -1.0 2.0
   38    33    46    43   0.33900  1.0 3.0
   38    33    46    47   0.30150 -1.0 2.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    53   0.15800  1.0 1.0
   38    40    42    53   1.85350 -1.0 2.0
   38    40    42    53  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    53    49   3.62500 -1.0 2.0
   40    42    53    54   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    53  -0.01750  1.0 1.0
   41    40    42    53  -0.32000 -1.0 2.0
   41    40    42    53   0.00600  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43   -46    33   2.26350  1.0 1.0
   42    43   -46    33   0.76750 -1.0 2.0
   42    43   -46    33   0.22500  1.0 3.0
   42    43    46    47   1.05000 -1.0 2.0
   42    53    54    55   0.84100 -1.0 2.0
   43    42    53    49   3.62500 -1.0 2.0
   43    42    53    54   3.62500 -1.0 2.0
   43    44   -48    49   3.62500 -1.0 2.0
   43    44    48    51   3.62500 -1.0 2.0
   44    43    46    33   2.26350  1.0 1.0
   44    43    46    33   0.76750 -1.0 2.0
   44    43    46    33   0.22500  1.0 3.0
   44    43    46    47   1.05000 -1.0 2.0
   44    48    49    50   3.62500 -1.0 2.0
   44    48    49    53   3.62500 -1.0 2.0
   44    48    51    52   0.84100 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    51   3.62500 -1.0 2.0
   48    49   -53    42   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   49    48    51    52   0.84100 -1.0 2.0
   49    53    54    55   0.84100 -1.0 2.0
   50    49    53    42   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   53    42   -43    44   3.62500 -1.0 2.0
   53    42    43    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    53   3.62500 -1.0 2.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.51250  1.0 1.0
   46    33   -38    40  -0.88800 -1.0 2.0
   46    33   -38    40   0.08850  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   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    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    53    42    40   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   49    51    48    44   4.00000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   49    54    53    42   4.00000 -1.0 2.0
   33    43    46    47  10.50000 -1.0 2.0
END
