* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    104    167     307
    1     0 S   NP   _N1_     1    28.69917    95.86338   -23.09513
    2     1 S   H    _HN1     2     1.02950    76.21741    12.77095
    3     1 S   H    _H1_     3     1.02829    34.87419   164.51443
    4     1 S   H    _H2_     4     1.02784   103.30423   -93.20670
    5     1 S   CT   _CA1     5     1.50113   138.55636   118.10985
    6     5 S   HC   _HA1     6     1.09573   105.20344    85.52104
    7     5 S   CO3  _C1_     7     1.53789   112.43739   -34.72258
    8     7 S   O2Z  _O11     8     1.26372   115.00389   -43.01959
    9     7 S   O2Z  _O12     9     1.26237   114.94409   136.11250
   10     5 S   CT   _CB1    10     1.53082   107.42527  -156.49955
   11    10 S   HC   HB11    11     1.09831   109.38041   -49.81718
   12    10 S   HC   HB12    12     1.09813   110.44511    66.79002
   13    10 S   CT   _CG1    13     1.52988   112.60090  -170.80377
   14    13 S   HC   HG11    14     1.09587   110.61173   -65.24180
   15    13 S   HC   HG12    15     1.09669   109.81291    53.98859
   16    13 S   C    _CD1    16     1.51798   112.24855   174.43736
   17    16 S   O    _OE1    17     1.22726   123.30587     5.83848
   18    16 S   N    _N2_    18     1.38637   111.64835  -174.31073
   19    18 S   H    _HN2    19     1.01591   118.92819     1.70330
   20    18 S   CT1  _CA2    20     1.46206   123.40929   177.82795
   21    20 S   HC   _HA2    21     1.09733   109.42450     0.60393
   22    20 S   C    _C2_    22     1.53494   108.46310  -114.90451
   23    22 S   O    _O2_    23     1.23044   122.33835  -147.20863
   24    20 S   CT   _CB2    32     1.53215   111.49484   122.65848
   25    24 S   HC   HB21    33     1.09612   110.10163    56.37312
   26    24 S   HC   HB22    34     1.09515   110.34718   174.95364
   27    22 S   N    _N3_    24     1.38347   113.62101    40.18584
   28    27 S   H    _HN3    25     1.01596   119.57206    -3.32620
   29    24 S   S    _SG2    35     1.82917   111.45519   -64.94231
   30    27 S   CT   _CA3    26     1.45283   123.18469   177.13625
   31    30 S   HC   HA31    27     1.09550   107.51057   -64.51919
   32    30 S   HC   HA32    28     1.09558   107.98115    51.91323
   33    29 S   CA   _C12    36     1.80232    98.78863   175.79271
   34    30 S   CO3  _C3_    29     1.52953   114.09250   173.91128
   35    34 S   O2Z  _O31    30     1.26374   116.06912    -0.64437
   36    34 S   O2Z  _O32    31     1.26429   114.41015   179.41449
   37    33 S   CA   _C9_    37     1.40841   119.95133    92.36230
   38    37 S   CA   _C11    38     1.39895   121.00857   179.92598
   39    37 S   C    _C16    47     1.47895   121.15919    -0.97538
   40    39 S   O    _O15    48     1.22388   117.67264   -92.70957
   41    38 S   CA   _C13    39     1.39706   120.35067    -0.38967
   42    41 S   Cl   CL18    40     1.73510   118.48670  -179.95154
   43    38 S   OH   _O16    45     1.37097   118.65339   179.89532
   44    43 S   HO   _H27    46     0.97361   108.27124  -179.21167
   45    39 S   N    _N14    49     1.38397   112.87451    87.43423
   46    45 S   H    _H26    50     1.01697   117.43798     0.43924
   47    41 S   CA   _C15    41     1.40403   119.76910    -0.11535
   48    47 S   Cl   CL20    42     1.74077   119.67873  -179.79252
   49    45 S   CA   _C10    51     1.41374   127.08837  -179.29418
   50    33 S   CA   _C14    43     1.41379   121.59847   -88.57879
   51    50 S   Cl   CL19    44     1.74487   120.04690     0.02798
   52    49 S   CA   _C7_    52     1.39803   124.12221     0.10653
   53    52 S   HA   _H24    53     1.08403   122.22008    -0.03956
   54    52 S   CA   _C5_    54     1.39860   120.29904   179.90109
   55    54 S   HA   _H22    55     1.08663   119.75571  -179.97202
   56    54 S   CA   _C4_    56     1.39290   120.37308    -0.02798
   57    56 S   HA   _H21    57     1.08601   120.10261  -179.98022
   58    56 S   CA   _C6_    58     1.39174   119.75755    -0.00000
   59    58 S   HA   _H23    59     1.08624   120.03780  -179.96574
   60    49 S   CA   _C8_    60     1.40252   117.00437   179.98022
   61    60 S   HA   _H25    61     1.08766   120.66429     0.06561
  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
  11   2   1   1  13  10   9   3   7   4   2   1   8   3   3   2
   9   1   1   8   4   6   3   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    50    51    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    47    48    50    51    43    39    40    45  
   35    36  
   36  
    0  
   38    41    42    47    50    51    43    44    39    40    45    46    49  
   41    42    47    48    50    43    44    39    40    45  
   40    45    46    49    52    60    41    43    50  
   45    46    49  
   42    47    48    50    51    43    44  
   47    48    50    43  
   44    47  
    0  
   46    49    52    53    54    58    60    61  
   49    52    60  
   48    50    51  
   50    51  
   52    53    54    55    56    58    59    60    61  
   51  
    0  
   53    54    55    56    57    58    60    61  
   54    55    56    60  
   55    56    57    58    59    60  
   56    57    58  
   57    58    59    60    61  
   58    59    60  
   59    60    61  
   60    61  
   61  
    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   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    50   469.000  1.400
   37    38   469.000  1.400
   37    39   400.000  1.490
   38    41   469.000  1.400
   38    43   450.000  1.364
   41    42   300.000  1.725
   41    47   469.000  1.400
   47    48   300.000  1.725
   47    50   469.000  1.400
   50    51   300.000  1.725
   43    44   553.000  0.945
   39    40   570.000  1.229
   39    45   490.000  1.335
   45    46   434.000  1.010
   45    49   360.000  1.404
   49    52   469.000  1.400
   49    60   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
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    50    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    39    85.00000  120.00000
   33    50    47    63.00000  120.00000
   33    50    51    75.00000  120.00000
   37    38    41    63.00000  120.00000
   37    38    43    70.00000  120.00000
   37    39    40    80.00000  120.40000
   37    39    45    75.00000  113.92100
   38    41    42    75.00000  120.00000
   38    41    47    63.00000  120.00000
   38    43    44    35.00000  113.00000
   41    47    48    75.00000  120.00000
   41    47    50    63.00000  120.00000
   47    41    42    75.00000  120.00000
   47    50    51    75.00000  120.00000
   50    33    37    63.00000  120.00000
   50    47    48    75.00000  120.00000
   43    38    41    70.00000  120.00000
   39    37    38    85.00000  120.00000
   39    45    46    35.00000  119.80000
   39    45    49    65.00000  121.96500
   45    39    40    80.00000  122.90000
   45    49    52    70.00000  119.01900
   45    49    60    70.00000  119.01900
   49    45    46    45.00000  118.23600
   49    52    53    35.00000  120.00000
   49    52    54    63.00000  120.00000
   49    60    58    63.00000  120.00000
   49    60    61    35.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    35.00000  120.00000
   60    49    52    63.00000  120.00000
   60    58    59    35.00000  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    50   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    50    47   3.62500 -1.0 2.0
   29    33    50    51   3.62500 -1.0 2.0
   33    37    38    41   3.62500 -1.0 2.0
   33    37    38    43   3.62500 -1.0 2.0
   33    37    39    40   1.05000 -1.0 2.0
   33    37    39    45   0.75700  1.0 1.0
   33    37    39    45   0.34650 -1.0 2.0
   33    37    39    45   0.33000  1.0 3.0
   33    37    39    45  -0.28100 -1.0 4.0
   37    33    50    47   3.62500 -1.0 2.0
   37    33    50    51   3.62500 -1.0 2.0
   37    38    41    42   3.62500 -1.0 2.0
   37    38   -41    47   3.62500 -1.0 2.0
   37    38    43    44   0.84100 -1.0 2.0
   37    39    45    46   2.56700 -1.0 2.0
   37    39    45    49   0.76000  1.0 1.0
   37    39    45    49   4.11600 -1.0 2.0
   38    37    39    40   1.05000 -1.0 2.0
   38    37    39    45   0.75700  1.0 1.0
   38    37    39    45   0.34650 -1.0 2.0
   38    37    39    45   0.33000  1.0 3.0
   38    37    39    45  -0.28100 -1.0 4.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    50   3.62500 -1.0 2.0
   41    38    43    44   0.84100 -1.0 2.0
   41    47   -50    33   3.62500 -1.0 2.0
   41    47    50    51   3.62500 -1.0 2.0
   42    41    47    48   3.62500 -1.0 2.0
   42    41    47    50   3.62500 -1.0 2.0
   48    47    50    33   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   50    33   -37    38   3.62500 -1.0 2.0
   50    33    37    39   3.62500 -1.0 2.0
   43    38    41    42   3.62500 -1.0 2.0
   43    38    41    47   3.62500 -1.0 2.0
   39    37    38    41   3.62500 -1.0 2.0
   39    37    38    43   3.62500 -1.0 2.0
   39    45    49    52   1.00100  1.0 1.0
   39    45    49    52   0.85050 -1.0 2.0
   39    45    49    60   1.00100  1.0 1.0
   39    45    49    60   0.85050 -1.0 2.0
   40    39    45    46   2.45000 -1.0 2.0
   40    39    45    49   0.04000 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    54   3.62500 -1.0 2.0
   45    49    60    58   3.62500 -1.0 2.0
   45    49    60    61   3.62500 -1.0 2.0
   46    45    49    52   0.97800 -1.0 2.0
   46    45    49    60   0.97800 -1.0 2.0
   49    52    54    55   3.62500 -1.0 2.0
   49    52    54    56   3.62500 -1.0 2.0
   52    49    60    58   3.62500 -1.0 2.0
   52    49    60    61   3.62500 -1.0 2.0
   52    54    56    57   3.62500 -1.0 2.0
   52    54   -56    58   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    56    58    59   3.62500 -1.0 2.0
   54    56    58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58   -60    49   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   59    58    60    49   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   60    49    52    53   3.62500 -1.0 2.0
   60    49   -52    54   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    50    33    29   4.00000 -1.0 2.0
   38    39    37    33   4.00000 -1.0 2.0
   41    43    38    37   4.00000 -1.0 2.0
   47    42    41    38   4.00000 -1.0 2.0
   50    48    47    41   4.00000 -1.0 2.0
   47    51    50    33   4.00000 -1.0 2.0
   37    45    39    40  10.50000 -1.0 2.0
   46    39    45    49   1.00000 -1.0 2.0
   52    60    49    45   4.00000 -1.0 2.0
   54    53    52    49   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   58    61    60    49   1.10000 -1.0 2.0
END
