* LIGAND DATABASE FILE (OPLS2005)
*
001      56    57     97    155     285
    1     0 S   NP   _N1_     1    28.68360    93.05692   -23.42465
    2     1 S   H    _HN1     2     1.02963    90.47956    33.97539
    3     1 S   H    _H1_     3     1.02838    17.86235  -167.76059
    4     1 S   H    _H2_     4     1.02779   108.11379   -75.51660
    5     1 S   CT   _CA1     5     1.50119   124.52193   149.36230
    6     5 S   HC   _HA1     6     1.09578   105.23166    72.03809
    7     5 S   CO3  _C1_     7     1.53786   112.38753   -48.16174
    8     7 S   O2Z  _O11     8     1.26360   114.99688   -43.81414
    9     7 S   O2Z  _O12     9     1.26240   114.91720   135.35603
   10     5 S   CT   _CB1    10     1.53100   107.42957  -170.06403
   11    10 S   HC   HB11    11     1.09825   109.31900   -50.92338
   12    10 S   HC   HB12    12     1.09821   110.41821    65.62202
   13    10 S   CT   _CG1    13     1.53009   112.68188  -172.03856
   14    13 S   HC   HG11    14     1.09602   110.42701   -63.97557
   15    13 S   HC   HG12    15     1.09653   109.99338    55.24455
   16    13 S   C    _CD1    16     1.51821   112.33744   175.58962
   17    16 S   O    _OE1    17     1.22721   123.28599    -2.26244
   18    16 S   N    _N2_    18     1.38624   111.63044   177.90146
   19    18 S   H    _HN2    19     1.01595   118.99297     1.03948
   20    18 S   CT1  _CA2    20     1.46195   123.40750  -179.81869
   21    20 S   HC   _HA2    21     1.09732   109.40657    -9.73823
   22    20 S   C    _C2_    22     1.53427   108.34511  -125.37414
   23    22 S   O    _O2_    23     1.23019   122.22299  -145.49037
   24    20 S   CT   _CB2    32     1.53313   111.47304   112.35220
   25    24 S   HC   HB21    33     1.09659   109.98600    55.30064
   26    24 S   HC   HB22    34     1.09551   110.43685   173.97722
   27    22 S   N    _N3_    24     1.38502   113.40939    41.87930
   28    27 S   H    _HN3    25     1.01516   118.95352    -0.56336
   29    24 S   S    _SG2    35     1.82890   111.81075   -65.91287
   30    27 S   CT   _CA3    26     1.45447   123.40716   175.04979
   31    30 S   HC   HA31    27     1.09526   109.21200    25.11762
   32    30 S   HC   HA32    28     1.09496   107.13460   142.12322
   33    29 S   CA   _C12    36     1.79441    98.74427   171.12624
   34    30 S   CO3  _C3_    29     1.52927   113.10376   -98.33255
   35    34 S   O2Z  _O31    30     1.26404   115.39963   -44.61343
   36    34 S   O2Z  _O32    31     1.26354   114.98504   136.30752
   37    33 S   CA   _C11    37     1.40166   117.33900    79.61620
   38    37 S   HA   _H4_    38     1.09064   119.51627    -0.20748
   39    37 S   CA   _C10    39     1.40524   121.69753  -179.84174
   40    39 S   CA   _C5_    40     1.47503   118.51521   179.37317
   41    39 S   CA   _C15    51     1.40969   118.52032    -0.58517
   42    41 S   Cl   Cl4_    52     1.74229   119.08960  -179.93439
   43    40 S   CA   _C4_    41     1.39724   118.93154    89.93168
   44    43 S   HA   _H3_    42     1.08952   119.40297     0.23407
   45    41 S   CA   _C14    53     1.40914   120.46671     0.20936
   46    45 S   Cl   Cl5_    54     1.74162   119.91235   179.96044
   47    43 S   CA   _C9_    43     1.40402   121.17877  -179.90109
   48    47 S   Cl   Cl1_    44     1.74694   115.54267  -179.87967
   49    33 S   CA   _C13    55     1.40556   123.30483  -100.93255
   50    49 S   Cl   Cl6_    56     1.74147   119.86525     0.55320
   51    47 S   CA   _C8_    45     1.42053   123.47080     0.12972
   52    51 S   OM   _O33    46     1.28219   122.79509   179.96574
   53    51 S   CA   _C7_    47     1.42929   113.88155    -0.01978
   54    53 S   Cl   Cl2_    48     1.75863   118.44370   179.97202
   55    40 S   CA   _C6_    49     1.40421   123.18223   -89.70899
   56    55 S   Cl   Cl3_    50     1.74384   118.88519    -0.13562
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   9   2   1   1  10   4  12  12   7   3   8   4   3   2   6   3
   1   1   5   3   3   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    49    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    46    49    50  
   35    36  
   36  
    0  
   38    39    40    43    55    41    42    45    49    50  
   39    40    41    49  
   40    43    44    47    53    55    56    41    42    45    46    49  
   43    44    47    48    51    53    54    55    56    41    42    45  
   42    45    46    49    50    43    55  
   45    46    49  
   44    47    48    51    52    53    55    56  
   47    48    51    55  
   46    49    50  
   49    50  
   48    51    52    53    54    55  
   51    52    53  
   50  
    0  
   52    53    54    55    56  
   53    54    55  
   54    55    56  
   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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   38   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   47   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   49   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   250.000  1.760
   33    37   469.000  1.400
   33    49   469.000  1.400
   37    38   367.000  1.080
   37    39   469.000  1.400
   39    40   375.000  1.464
   39    41   469.000  1.400
   40    43   469.000  1.400
   40    55   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   300.000  1.725
   47    51   469.000  1.400
   51    52   450.000  1.364
   51    53   469.000  1.400
   53    54   300.000  1.725
   53    55   469.000  1.400
   55    56   300.000  1.725
   41    42   300.000  1.725
   41    45   469.000  1.400
   45    46   300.000  1.725
   45    49   469.000  1.400
   49    50   300.000  1.725
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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    49    85.00000  119.40000
   33    37    38    35.00000  120.00000
   33    37    39    63.00000  120.00000
   33    49    45    63.00000  120.00000
   33    49    50    75.00000  120.00000
   37    39    40    60.00000  122.76000
   37    39    41    63.00000  120.00000
   39    37    38    35.00000  120.00000
   39    40    43    60.00000  122.76000
   39    40    55    60.00000  122.76000
   39    41    42    75.00000  120.00000
   39    41    45    63.00000  120.00000
   40    43    44    35.00000  120.00000
   40    43    47    63.00000  120.00000
   40    55    53    63.00000  120.00000
   40    55    56    75.00000  120.00000
   43    47    48    75.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    52    70.00000  120.00000
   47    51    53    63.00000  120.00000
   51    47    48    75.00000  120.00000
   51    53    54    75.00000  120.00000
   51    53    55    63.00000  120.00000
   53    51    52    70.00000  120.00000
   53    55    56    75.00000  120.00000
   55    40    43    63.00000  120.00000
   55    53    54    75.00000  120.00000
   41    39    40    60.00000  122.76000
   41    45    46    75.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    75.00000  120.00000
   45    49    50    75.00000  120.00000
   49    33    37    63.00000  120.00000
   49    45    46    75.00000  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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    49   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    49    45   3.62500 -1.0 2.0
   29    33    49    50   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    41   3.62500 -1.0 2.0
   37    33    49    45   3.62500 -1.0 2.0
   37    33    49    50   3.62500 -1.0 2.0
   37    39    40    43  -0.19450  1.0 1.0
   37    39    40    43   0.63300 -1.0 2.0
   37    39    40    43   0.07450  1.0 3.0
   37    39    40    55  -0.19450  1.0 1.0
   37    39    40    55   0.63300 -1.0 2.0
   37    39    40    55   0.07450  1.0 3.0
   37    39    41    42   3.62500 -1.0 2.0
   37    39   -41    45   3.62500 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    41   3.62500 -1.0 2.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    47   3.62500 -1.0 2.0
   39    40    55    53   3.62500 -1.0 2.0
   39    40    55    56   3.62500 -1.0 2.0
   39    41    45    46   3.62500 -1.0 2.0
   39    41    45    49   3.62500 -1.0 2.0
   40    39    41    42   3.62500 -1.0 2.0
   40    39    41    45   3.62500 -1.0 2.0
   40    43    47    48   3.62500 -1.0 2.0
   40    43    47    51   3.62500 -1.0 2.0
   43    40    55    53   3.62500 -1.0 2.0
   43    40    55    56   3.62500 -1.0 2.0
   43    47    51    52   3.62500 -1.0 2.0
   43    47   -51    53   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   51    53   -55    40   3.62500 -1.0 2.0
   51    53    55    56   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   54    53    55    40   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   55    40    43    44   3.62500 -1.0 2.0
   55    40   -43    47   3.62500 -1.0 2.0
   41    39    40    43  -0.19450  1.0 1.0
   41    39    40    43   0.63300 -1.0 2.0
   41    39    40    43   0.07450  1.0 3.0
   41    39    40    55  -0.19450  1.0 1.0
   41    39    40    55   0.63300 -1.0 2.0
   41    39    40    55   0.07450  1.0 3.0
   41    45   -49    33   3.62500 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   46    45    49    33   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   49    33    37    38   3.62500 -1.0 2.0
   49    33   -37    39   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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    33    29   4.00000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   40    41    39    37   4.00000 -1.0 2.0
   43    55    40    39   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   51    48    47    43   4.00000 -1.0 2.0
   53    52    51    47   4.00000 -1.0 2.0
   55    54    53    51   4.00000 -1.0 2.0
   53    56    55    40   4.00000 -1.0 2.0
   45    42    41    39   4.00000 -1.0 2.0
   49    46    45    41   4.00000 -1.0 2.0
   45    50    49    33   4.00000 -1.0 2.0
END
