* LIGAND DATABASE FILE (OPLS2005)
*
001      58    59    104    161     304
    1     0 S   NP   _N1_     1    28.88646    95.34337   -21.64390
    2     1 S   H    _HN1     2     1.02832    35.30128   162.04381
    3     1 S   H    _H1_     3     1.02786    96.77910   -86.46224
    4     1 S   H    _H2_     4     1.02948    79.58554    21.01328
    5     1 S   CT   _CA1     5     1.50126   143.07713   131.29159
    6     5 S   HC   _HA1     6     1.09576   105.18060    77.76963
    7     5 S   CO3  _C1_     7     1.53749   112.28074   -42.39091
    8     7 S   O2Z  _O11     8     1.26364   115.02994   -46.03073
    9     7 S   O2Z  _O12     9     1.26220   114.92997   132.88471
   10     5 S   CT   _CB1    10     1.53065   107.39065  -164.36814
   11    10 S   HC   HB11    11     1.09832   109.32091   -49.84879
   12    10 S   HC   HB12    12     1.09813   110.49526    66.74439
   13    10 S   CT   _CG1    13     1.52992   112.63040  -170.83295
   14    13 S   HC   HG11    14     1.09485   110.52004   -65.78228
   15    13 S   HC   HG12    15     1.09663   109.86617    53.41715
   16    13 S   C    _CD1    16     1.51818   112.15954   173.79825
   17    16 S   O    _OE1    17     1.22743   123.22355     5.45812
   18    16 S   N    _N2_    18     1.38639   111.78930  -174.52432
   19    18 S   H    _HN2    19     1.01601   118.98758     0.77304
   20    18 S   CT1  _CA2    20     1.46302   123.29174   176.95001
   21    20 S   HC   _HA2    21     1.09737   109.38504    -2.75406
   22    20 S   C    _C2_    22     1.53454   108.45798  -118.14672
   23    22 S   O    _O2_    23     1.23039   122.32642  -148.01066
   24    20 S   CT   _CB2    32     1.53256   111.53217   119.35127
   25    24 S   HC   HB21    33     1.09400   109.82082    57.44081
   26    24 S   HC   HB22    34     1.09521   110.64438   175.54684
   27    22 S   N    _N3_    24     1.38350   113.56377    39.49151
   28    27 S   H    _HN3    25     1.01613   119.53520    -3.53568
   29    24 S   S    _SG2    35     1.82851   111.18612   -65.60003
   30    27 S   CT   _CA3    26     1.45281   123.19008   177.03912
   31    30 S   HC   HA31    27     1.09550   107.54832   -63.62275
   32    30 S   HC   HA32    28     1.09557   107.93511    52.80074
   33    29 S   CT   _C12    36     1.83094   100.30731   142.16351
   34    33 S   HC   _H3_    37     1.09567   108.78339    46.68473
   35    30 S   CO3  _C3_    29     1.52951   114.09308   174.78462
   36    35 S   O2Z  _O31    30     1.26372   116.06498    -0.10087
   37    35 S   O2Z  _O32    31     1.26428   114.41506   179.93744
   38    33 S   CO4  _C11    38     1.51227   109.14721   -72.31969
   39    38 S   O    _O34    39     1.22815   121.74945    98.42469
   40    38 S   CA   _C8_    40     1.48557   117.97313   -79.37481
   41    40 S   CA   _C7_    41     1.40000   119.71019   -15.77810
   42    41 S   CA   _C6_    42     1.40210   120.18765   177.29926
   43    42 S   HA   _H7_    43     1.08821   120.47400  -179.53480
   44    41 S   CO4  _C14    54     1.48327   121.08516    -3.88469
   45    44 S   O    _O35    55     1.22740   120.73947   177.55143
   46    42 S   CA   _C5_    44     1.40008   120.54844     0.76156
   47    33 S   CT   _C13    56     1.52050   111.07471   165.86355
   48    47 S   HC   _H10    57     1.09661   110.57783   -52.34341
   49    47 S   HC   _H11    58     1.09741   109.99699  -170.71638
   50    46 S   CA   _C10    45     1.39767   119.13701    -0.39614
   51    50 S   HA   _H8_    46     1.08804   120.05581  -179.27180
   52    46 S   CT   _C4_    50     1.49937   120.05227  -178.75432
   53    52 S   HC   _H4_    51     1.09441   110.03262    72.29377
   54    52 S   HC   _H5_    52     1.09501   111.43447  -167.49803
   55    52 S   HC   _H6_    53     1.09498   110.39485   -48.19967
   56    40 S   CA   _C9_    47     1.40139   121.18586   162.43127
   57    56 S   OH   _O33    48     1.36909   123.38943     1.56810
   58    57 S   HO   _H9_    49     0.97346   109.01239     4.66812
  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
  11   7   2   1   1  11   4  12  12  12   4   6   3   8   2   1
   1   8   3   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    56    44    45    47    48    49  
   38    39    40    44    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    56    57    44    47    48    49  
   40    41    56    47  
   41    42    43    46    50    51    56    57    58    44    45    47  
   42    43    46    50    56    57    52    44    45    47    48    49  
   43    46    50    51    56    52    53    54    55    44    45    47  
   46    50    52    44  
   45    47    48    49    46    56  
   47    48    49  
   50    51    56    57    52    53    54    55  
   48    49  
   49  
    0  
   51    56    57    58    52    53    54    55  
   56    57    52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58  
   58  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   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   340.000  1.090
   33    38   317.000  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    56   469.000  1.400
   41    42   469.000  1.400
   41    44   310.000  1.470
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    50   469.000  1.400
   46    52   317.000  1.510
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   450.000  1.364
   57    58   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    49   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  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    56    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    44    60.00000  119.52600
   40    56    50    63.00000  120.00000
   40    56    57    70.00000  120.00000
   41    42    43    35.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    75.00000  123.78400
   41    44    47    65.00000  115.47100
   42    46    50    63.00000  120.00000
   42    46    52    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    56    63.00000  120.00000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   50    56    57    70.00000  120.00000
   56    40    41    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    57    58    35.00000  113.00000
   52    46    50    70.00000  120.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   44    41    42    60.00000  119.52600
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    44    45    80.00000  120.40000
   49    47    48    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    56   2.26350  1.0 1.0
   33    38    40    56   0.76750 -1.0 2.0
   33    38    40    56   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    44   0.11950  1.0 1.0
   38    33    47    44   0.20300 -1.0 2.0
   38    33    47    44  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    49  -0.11250  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    44   3.62500 -1.0 2.0
   38    40    56    50   3.62500 -1.0 2.0
   38    40    56    57   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    56   1.05000 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    44    45   1.05000 -1.0 2.0
   40    41    44    47   2.26350  1.0 1.0
   40    41    44    47   0.76750 -1.0 2.0
   40    41    44    47   0.22500  1.0 3.0
   40    56    57    58   0.84100 -1.0 2.0
   41    40    56    50   3.62500 -1.0 2.0
   41    40    56    57   3.62500 -1.0 2.0
   41    42   -46    50   3.62500 -1.0 2.0
   41    42    46    52   3.62500 -1.0 2.0
   41    44   -47    33   0.05850 -1.0 2.0
   41    44   -47    33   0.17250  1.0 3.0
   41    44    47    48   0.00000  1.0 1.0
   41    44    47    49   0.00000  1.0 1.0
   42    41    44    45   1.05000 -1.0 2.0
   42    41    44    47   2.26350  1.0 1.0
   42    41    44    47   0.76750 -1.0 2.0
   42    41    44    47   0.22500  1.0 3.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46    50    56   3.62500 -1.0 2.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    54   0.00000  1.0 1.0
   42    46    52    55   0.00000  1.0 1.0
   43    42    46    50   3.62500 -1.0 2.0
   43    42    46    52   3.62500 -1.0 2.0
   46    50   -56    40   3.62500 -1.0 2.0
   46    50    56    57   3.62500 -1.0 2.0
   50    46    52    53   0.00000  1.0 1.0
   50    46    52    54   0.00000  1.0 1.0
   50    46    52    55   0.00000  1.0 1.0
   50    56    57    58   0.84100 -1.0 2.0
   51    50    56    40   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   56    40   -41    42   3.62500 -1.0 2.0
   56    40    41    44   3.62500 -1.0 2.0
   52    46    50    51   3.62500 -1.0 2.0
   52    46    50    56   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  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    40    38    39  10.50000 -1.0 2.0
   41    56    40    38   4.00000 -1.0 2.0
   42    44    41    40   4.00000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   50    52    46    42   4.00000 -1.0 2.0
   56    51    50    46   1.10000 -1.0 2.0
   50    57    56    40   4.00000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
END
