* LIGAND DATABASE FILE (OPLS2005)
*
001      54    55     95    151     280
    1     0 S   NP   _N1_     1    28.71545    96.84201   -23.14060
    2     1 S   H    _HN1     2     1.02949    69.43869    10.78162
    3     1 S   H    _H1_     3     1.02828    41.03192   166.11227
    4     1 S   H    _H2_     4     1.02786   104.90207   -93.60702
    5     1 S   CT   _CA1     5     1.50114   140.09627   108.35176
    6     5 S   HC   _HA1     6     1.09573   105.18617    95.64984
    7     5 S   CO3  _C1_     7     1.53777   112.48447   -24.57934
    8     7 S   O2Z  _O11     8     1.26372   115.00199   -42.08582
    9     7 S   O2Z  _O12     9     1.26239   114.94541   137.03718
   10     5 S   CT   _CB1    10     1.53076   107.42126  -146.36278
   11    10 S   HC   HB11    11     1.09835   109.34926   -49.66052
   12    10 S   HC   HB12    12     1.09812   110.45736    66.94328
   13    10 S   CT   _CG1    13     1.52998   112.61973  -170.62959
   14    13 S   HC   HG11    14     1.09577   110.66456   -66.37194
   15    13 S   HC   HG12    15     1.09672   109.75265    52.86472
   16    13 S   C    _CD1    16     1.51803   112.17203   173.32286
   17    16 S   O    _OE1    17     1.22736   123.26643     8.76280
   18    16 S   N    _N2_    18     1.38661   111.71445  -171.34992
   19    18 S   H    _HN2    19     1.01582   118.92687     1.54078
   20    18 S   CT1  _CA2    20     1.46198   123.36500   176.77888
   21    20 S   HC   _HA2    21     1.09738   109.35330     3.43159
   22    20 S   C    _C2_    22     1.53586   108.58999  -111.99814
   23    22 S   O    _O2_    23     1.23055   122.28018  -147.98215
   24    20 S   CT   _CB2    32     1.53354   111.65085   125.46514
   25    24 S   HC   HB21    33     1.09582   110.09958    56.18275
   26    24 S   HC   HB22    34     1.09412   109.87331   175.27636
   27    22 S   N    _N3_    24     1.38325   113.72570    39.46283
   28    27 S   H    _HN3    25     1.01575   119.60793    -3.26537
   29    24 S   S    _SG2    35     1.82800   111.49141   -64.80959
   30    27 S   CT   _CA3    26     1.45284   123.23254   177.16994
   31    30 S   HC   HA31    27     1.09548   107.50685   -64.77877
   32    30 S   HC   HA32    28     1.09556   107.99677    51.66984
   33    29 S   CT   _C12    36     1.82408    99.83335   172.37844
   34    33 S   HC   _H3_    37     1.09646   110.48544   -43.38318
   35    30 S   CO3  _C3_    29     1.52965   114.05967   173.66928
   36    35 S   O2Z  _O31    30     1.26380   116.07010    -0.65879
   37    35 S   O2Z  _O32    31     1.26428   114.41277   179.40127
   38    33 S   CO4  _C13    38     1.50541   109.55428    75.33490
   39    38 S   O    _O34    39     1.22900   121.44869   -84.76077
   40    33 S   CO4  _C11    51     1.49752   107.50508  -159.08019
   41    40 S   O    _O35    52     1.22418   124.03813    85.78822
   42    38 S   CA   _C6_    40     1.48270   118.74254    93.27710
   43    42 S   CA   _C5_    41     1.40298   118.20550  -167.75482
   44    43 S   HA   _H5_    42     1.08755   121.14774    -0.36797
   45    43 S   CA   _C4_    43     1.39380   120.32974   179.17409
   46    45 S   HA   _H4_    44     1.08640   120.03011  -179.82529
   47    45 S   CA   _C9_    45     1.39127   119.93103     0.02798
   48    47 S   HA   _H6_    46     1.08693   119.67714  -179.94766
   49    47 S   CA   _C8_    47     1.39558   119.94757     0.19483
   50    42 S   CA   _C7_    48     1.39945   121.75593    11.76686
   51    49 S   OH   _O33    53     1.36933   115.75989   179.71061
   52    51 S   HO   _H7_    54     0.97374   109.23192   179.83331
   53    50 S   CO4  _C10    49     1.47519   120.06809     1.95003
   54    53 S   O    _O36    50     1.22223   122.52971  -179.33559
  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  10   4   6   3  10   8   4   6   3   6   3
   5   4   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    53    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    53    54    40    41  
   38    39    42    53    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    49    50    53    40    41  
   42    43    50    40  
   41    42    49    50    53    54  
   50    53    54  
   43    44    45    46    47    49    50    53    54    51  
   44    45    46    47    48    49    50    53  
   45    46    47    50  
   46    47    48    49    50    51  
   47    48    49  
   48    49    50    53    51    52  
   49    50    51  
   50    53    54    51    52  
   53    54    51    52  
   52    53  
    0  
   54  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    40   317.000  1.522
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    43   469.000  1.400
   42    50   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    51   450.000  1.364
   50    53   310.000  1.470
   53    54   570.000  1.229
   53    40   250.000  1.523
   40    41   570.000  1.229
   51    52   553.000  0.945
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    40    75.00000  110.18000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    53    65.00000  115.45000
   33    40    41    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    42    43    60.00000  119.52600
   38    42    50    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    43    44    35.00000  120.00000
   42    43    45    63.00000  120.00000
   42    50    49    63.00000  120.00000
   42    50    53    60.00000  119.52600
   43    45    46    35.00000  120.00000
   43    45    47    63.00000  120.00000
   45    43    44    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    51    70.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    53    60.00000  119.52600
   49    51    52    35.00000  113.00000
   50    42    43    63.00000  120.00000
   50    53    54    75.00000  123.78400
   50    53    40    60.00000  117.28700
   53    40    41    80.00000  119.30300
   40    33    34    35.00000  109.50000
   40    33    38    75.00000  107.99600
   40    53    54    80.00000  119.30300
   51    49    50    70.00000  120.00000
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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    53   0.65300  1.0 1.0
   29    33    40    53  -0.03850 -1.0 2.0
   29    33    40    53   0.33900  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   33    38    42    43   2.26350  1.0 1.0
   33    38    42    43   0.76750 -1.0 2.0
   33    38    42    43   0.22500  1.0 3.0
   33    38    42    50   2.26350  1.0 1.0
   33    38    42    50   0.76750 -1.0 2.0
   33    38    42    50   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    53   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   38    33    40    53   0.65300  1.0 1.0
   38    33    40    53  -0.03850 -1.0 2.0
   38    33    40    53   0.33900  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    42    43    44   3.62500 -1.0 2.0
   38    42    43    45   3.62500 -1.0 2.0
   38    42    50    49   3.62500 -1.0 2.0
   38    42   -50    53   3.62500 -1.0 2.0
   39    38    42    43   1.05000 -1.0 2.0
   39    38    42    50   1.05000 -1.0 2.0
   42    43    45    46   3.62500 -1.0 2.0
   42    43    45    47   3.62500 -1.0 2.0
   42    50    53    54   1.05000 -1.0 2.0
   42    50    53    40   0.56600 -1.0 2.0
   43    42    50    49   3.62500 -1.0 2.0
   43    42    50    53   3.62500 -1.0 2.0
   43    45    47    48   3.62500 -1.0 2.0
   43    45   -47    49   3.62500 -1.0 2.0
   44    43    45    46   3.62500 -1.0 2.0
   44    43    45    47   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   45    47    49    51   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49   -50    42   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    51    52   0.84100 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    50    53    54   1.05000 -1.0 2.0
   49    50    53    40   0.56600 -1.0 2.0
   50    42    43    44   3.62500 -1.0 2.0
   50    42   -43    45   3.62500 -1.0 2.0
   50    49    51    52   0.84100 -1.0 2.0
   50    53   -40    33   0.43900  1.0 1.0
   50    53   -40    33  -0.18150 -1.0 2.0
   50    53   -40    33  -0.03650  1.0 3.0
   50    53    40    41   0.03000  1.0 1.0
   50    53    40    41   0.58800 -1.0 2.0
   50    53    40    41   0.15550  1.0 3.0
   54    53    40    33   0.49600 -1.0 2.0
   54    53    40    41   0.06100 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
   51    49    50    42   3.62500 -1.0 2.0
   51    49    50    53   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    42    38    39  10.50000 -1.0 2.0
   43    50    42    38   4.00000 -1.0 2.0
   45    44    43    42   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    51    49    47   4.00000 -1.0 2.0
   49    53    50    42   4.00000 -1.0 2.0
   50    40    53    54  10.50000 -1.0 2.0
   33    53    40    41  10.50000 -1.0 2.0
END
