* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    191     354
    1     0 S   NP   _N1_     1    30.47817    98.11205   -23.40158
    2     1 S   H    _HN1     2     1.02914    79.66985   156.48120
    3     1 S   H    _H1_     3     1.03431   135.63340   -99.69545
    4     1 S   H    _H2_     4     1.02747    33.48379   -56.92225
    5     1 S   CT   _CA1     5     1.50350   106.49090    48.28880
    6     5 S   HC   _HA1     6     1.09558   104.45983   150.18487
    7     5 S   CO3  _C1_     7     1.54469   111.07274    34.51980
    8     7 S   O2Z  _O11     8     1.26063   116.72510  -124.68762
    9     7 S   O2Z  _O12     9     1.26609   113.94883    54.71928
   10     5 S   CT   _CB1    10     1.53402   107.06915   -92.96178
   11    10 S   HC   HB11    11     1.09792   110.23788   -37.21427
   12    10 S   HC   HB12    12     1.09756   109.23678    79.09494
   13    10 S   CT   _CG1    13     1.53261   113.21804  -159.85303
   14    13 S   HC   HG11    14     1.09684   109.42237  -154.48910
   15    13 S   HC   HG12    15     1.09446   112.30482   -36.13692
   16    13 S   C    _CD1    16     1.51546   110.77465    88.29726
   17    16 S   O    _OE1    17     1.22918   121.41449    78.72297
   18    16 S   N    _N2_    18     1.38264   113.58214   -99.43862
   19    18 S   H    _HN2    19     1.01557   119.28665     0.69521
   20    18 S   CT1  _CA2    20     1.46309   123.00729   177.15504
   21    20 S   HC   _HA2    21     1.09743   109.62520     5.61301
   22    20 S   C    _C2_    22     1.53331   107.66054  -109.91619
   23    22 S   O    _O2_    23     1.23012   122.54464  -134.51876
   24    20 S   CT   _CB2    32     1.53219   111.70533   127.74849
   25    24 S   HC   HB21    33     1.09330   109.73268    56.00761
   26    24 S   HC   HB22    34     1.09532   110.24008   174.78887
   27    22 S   N    _N3_    24     1.38480   113.40300    51.70010
   28    27 S   H    _HN3    25     1.01592   119.67923    -1.41305
   29    24 S   S    _SG2    35     1.82669   111.48010   -65.64556
   30    27 S   CT   _CA3    26     1.45332   122.74306   177.04872
   31    30 S   HC   HA31    27     1.09556   107.37129   -65.97491
   32    30 S   HC   HA32    28     1.09562   108.04852    50.36989
   33    29 S   CT   _C18    36     1.84433    99.83426   174.28019
   34    33 S   HC   _H3_    37     1.09728   108.87182    19.00287
   35    30 S   CO3  _C3_    29     1.52821   114.38851   172.35781
   36    35 S   O2Z  _O31    30     1.26431   116.12093    -4.93705
   37    35 S   O2Z  _O32    31     1.26367   114.56040   175.67663
   38    33 S   CO4  _C16    38     1.52628   108.89485   133.73494
   39    38 S   O    _O19    39     1.23005   123.65747   -18.82943
   40    38 S   CM   _C14    40     1.49238   117.01918   165.39509
   41    40 S   CM   _C10    41     1.33543   120.51419   -19.23959
   42    41 S   HC   _H27    42     1.08548   120.68319  -178.87065
   43    40 S   OS   _O22    64     1.38336   119.18219   164.68848
   44    41 S   CO4  _C15    43     1.47972   122.81655    -0.47147
   45    44 S   O    _O18    44     1.23083   118.29387   178.35837
   46    43 S   CT   _C19    65     1.42629   111.29133   -71.82605
   47    46 S   HC   _H31    66     1.09403   107.86056  -173.70375
   48    46 S   HC   _H32    67     1.09424   111.47892    67.95104
   49    46 S   HC   _H33    68     1.09566   111.03306   -55.43700
   50    33 S   CT   _C17    45     1.53996   110.62970  -103.80775
   51    50 S   HC   _H29    46     1.09950   108.85188   -54.77939
   52    50 S   CM   _C13    47     1.51573   112.74529    67.76519
   53    52 S   CM   _C11    48     1.34260   124.39223    66.79035
   54    53 S   HC   _H28    49     1.08271   123.45706     1.50870
   55    52 S   CO4  _C12    60     1.48831   118.67536  -111.31450
   56    55 S   O    _O17    61     1.22403   122.41522    -3.81921
   57    53 S   OS   _O20    50     1.37207   127.10452  -177.57731
   58    57 S   CA   _C8_    51     1.37076   117.56400     2.50663
   59    58 S   CA   _C6_    52     1.39445   117.22388   176.61980
   60    59 S   HA   _H26    53     1.08643   120.44689    -0.23903
   61    59 S   CA   _C9_    54     1.39234   119.29094  -179.62622
   62    61 S   CA   _C5_    55     1.39406   120.90051    -0.87178
   63    62 S   HA   _H25    56     1.08649   120.84689  -179.68410
   64    61 S   OH   _O21    62     1.36633   118.23945   178.76790
   65    64 S   HO   _H34    63     0.97326   108.32726  -172.12296
   66    62 S   CA   _C4_    57     1.39483   119.70816     0.96347
   67    66 S   HA   _H24    58     1.08677   119.12055   179.20475
   68    58 S   CA   _C7_    59     1.39453   122.60955    -3.15703
  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
  13   7   2   1   1  10   4  10   8   4   5   6   3   3   2   1
   1   8   3   8   7   3   8   3   6   8   8   4   7   6   4   2
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    50    51    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    50    51    52    53    55    43  
   38    39    40    44    50    51    52  
   36    37  
   37  
    0  
   39    40    41    42    44    50    51    52    43    46  
   40    41    50    43  
   41    42    44    45    50    43    46    47    48    49  
   42    44    45    50    51    52    43    46  
   44    45    50    43  
   46    47    48    49    44  
   45    50    51    52    53    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    57    68    55    56  
   52    53    55  
   53    54    57    58    66    68    55    56  
   54    57    58    59    68    55    56  
   57    58    55  
   56    57    58    59    62    66    67    68  
   58    66    68  
   58    59    60    61    66    68  
   59    60    61    62    66    67    68    64  
   60    61    62    63    66    68    64    65  
   61    62    68    64  
   62    63    66    67    68    64    65  
   63    66    67    68    64    65  
   66    67    68    64  
   65    66  
    0  
   67    68  
   68  
    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   0.470000   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   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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    50   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    43   440.000  1.360
   41    42   340.000  1.080
   41    44   320.000  1.462
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   340.000  1.090
   50    52   317.000  1.510
   52    53   549.000  1.340
   52    55   320.000  1.462
   53    54   340.000  1.080
   53    57   440.000  1.360
   57    58   450.000  1.364
   58    59   469.000  1.400
   58    68   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    55   310.000  1.470
   55    56   570.000  1.229
   64    65   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    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    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    50    44    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    52    70.00000  112.02700
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    43    85.00000  116.28000
   40    38    39    80.00000  123.72100
   40    41    42    35.00000  120.00000
   40    41    44    65.00000  118.96000
   40    43    46    90.00000  111.18400
   41    44    45    80.00000  123.72100
   41    44    50    65.00000  118.62400
   44    41    42    40.00000  117.72500
   44    50    51    35.00000  109.50000
   44    50    52    70.00000  109.06800
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    45    80.00000  120.40000
   50    52    53    70.00000  124.00000
   50    52    55    65.00000  116.34900
   52    50    51    35.00000  109.50000
   52    53    54    35.00000  120.00000
   52    53    57    80.00000  120.01400
   52    55    68    65.00000  117.02400
   52    55    56    80.00000  123.72100
   53    57    58    90.00000  114.30300
   57    53    54    55.00000  109.52600
   57    58    59    70.00000  120.00000
   57    58    68    70.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    61    63.00000  120.00000
   58    68    66    63.00000  120.00000
   58    68    55    60.00000  119.52600
   59    61    62    63.00000  120.00000
   59    61    64    70.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    55    60.00000  119.52600
   68    58    59    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    55    56    75.00000  123.78400
   55    52    53    65.00000  118.96000
   64    61    62    70.00000  120.00000
   43    40    41    80.00000  120.01400
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.56750  1.0 1.0
   29    33    50    52  -0.07550 -1.0 2.0
   29    33    50    52   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    43   0.32450 -1.0 2.0
   33    38    40    43   0.17400  1.0 3.0
   33    50    52    53   0.09850  1.0 1.0
   33    50    52    53   0.15250 -1.0 2.0
   33    50    52    53  -0.50650  1.0 3.0
   33    50    52    55   0.09700  1.0 1.0
   33    50    52    55   0.15600 -1.0 2.0
   33    50    52    55  -0.50800  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    50    44  -0.11250  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    52   0.15000  1.0 3.0
   38    33    50    44   0.11950  1.0 1.0
   38    33    50    44   0.20300 -1.0 2.0
   38    33    50    44  -0.70800  1.0 3.0
   38    33    50    51  -0.11250  1.0 3.0
   38    33    50    52  -0.98800  1.0 1.0
   38    33    50    52   0.48800 -1.0 2.0
   38    33    50    52   0.76800  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    44   7.00000 -1.0 2.0
   38    40    43    46   0.15100 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    43  -0.11900  1.0 1.0
   39    38    40    43   0.76850 -1.0 2.0
   39    38    40    43   0.14100  1.0 3.0
   40    41    44    45   1.00000 -1.0 2.0
   40    41    44    50  -0.33500  1.0 1.0
   40    41    44    50   1.06600 -1.0 2.0
   40    41    44    50  -0.14000  1.0 3.0
   40    43    46    47   0.08050  1.0 3.0
   40    43    46    48   0.08050  1.0 3.0
   40    43    46    49   0.08050  1.0 3.0
   41    40    43    46  -2.26850  1.0 1.0
   41    40    43    46   3.39050 -1.0 2.0
   41    44   -50    33   0.65300  1.0 1.0
   41    44   -50    33  -0.03850 -1.0 2.0
   41    44   -50    33   0.33900  1.0 3.0
   41    44    50    51   0.00000  1.0 1.0
   41    44    50    52   0.65300  1.0 1.0
   41    44    50    52  -0.03850 -1.0 2.0
   41    44    50    52   0.33900  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    50   0.04550  1.0 1.0
   42    41    44    50   0.83000 -1.0 2.0
   42    41    44    50  -0.04000  1.0 3.0
   44    50    52    53  -0.51250  1.0 1.0
   44    50    52    53  -0.88800 -1.0 2.0
   44    50    52    53   0.08850  1.0 3.0
   44    50    52    55   0.09700  1.0 1.0
   44    50    52    55   0.15600 -1.0 2.0
   44    50    52    55  -0.50800  1.0 3.0
   45    44    50    33   0.30150 -1.0 2.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.30150 -1.0 2.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    40   0.65300  1.0 1.0
   50    33   -38    40  -0.03850 -1.0 2.0
   50    33   -38    40   0.33900  1.0 3.0
   50    52    53    54   7.00000 -1.0 2.0
   50    52    53    57   7.00000 -1.0 2.0
   50    52    55    68   1.50000 -1.0 2.0
   50    52    55    56  -0.64400  1.0 1.0
   50    52    55    56   0.26850 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    55   0.15000  1.0 3.0
   52    53    57    58   2.00000 -1.0 2.0
   53    52    55    68  -1.65800  1.0 1.0
   53    52    55    68   0.77650 -1.0 2.0
   53    52    55    56   1.00000 -1.0 2.0
   53    57    58    59   0.00000  1.0 1.0
   53    57   -58    68   0.00000  1.0 1.0
   54    53    57    58   0.50000 -1.0 2.0
   57    58    59    60   3.62500 -1.0 2.0
   57    58    59    61   3.62500 -1.0 2.0
   57    58    68    66   3.62500 -1.0 2.0
   57    58    68    55   3.62500 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    61    64   3.62500 -1.0 2.0
   58    68   -55    52  -0.11500  1.0 1.0
   58    68   -55    52   1.10450 -1.0 2.0
   58    68   -55    52  -0.48050  1.0 3.0
   58    68    55    56   1.05000 -1.0 2.0
   59    58    68    66   3.62500 -1.0 2.0
   59    58    68    55   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61   -62    66   3.62500 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   61    62    66    68   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66   -68    58   3.62500 -1.0 2.0
   62    66    68    55   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   66    68    55    52  -0.11500  1.0 1.0
   66    68    55    52   1.10450 -1.0 2.0
   66    68    55    52  -0.48050  1.0 3.0
   66    68    55    56   1.05000 -1.0 2.0
   67    66    68    58   3.62500 -1.0 2.0
   67    66    68    55   3.62500 -1.0 2.0
   68    58    59    60   3.62500 -1.0 2.0
   68    58   -59    61   3.62500 -1.0 2.0
   55    52    53    54   7.00000 -1.0 2.0
   55    52   -53    57   7.00000 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   43    40    41    42   7.00000 -1.0 2.0
   43    40    41    44   7.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    43    40    41   1.10000 -1.0 2.0
   44    42    41    40   1.10000 -1.0 2.0
   41    50    44    45  10.50000 -1.0 2.0
   50    55    52    53   1.10000 -1.0 2.0
   57    54    53    52   1.10000 -1.0 2.0
   59    68    58    57   4.00000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   62    64    61    59   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   66    55    68    58   4.00000 -1.0 2.0
   52    68    55    56  10.50000 -1.0 2.0
END
