* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    135    207     392
    1     0 S   NP   _N1_     1    28.92316    96.28466   -23.62130
    2     1 S   H    _HN1     2     1.02784   103.64311   -76.35701
    3     1 S   H    _H1_     3     1.02951    66.08217    27.94454
    4     1 S   H    _H2_     4     1.02828    44.98390  -178.15040
    5     1 S   CT   _CA1     5     1.50112   142.54059   120.69978
    6     5 S   HC   _HA1     6     1.09573   105.20292   100.66307
    7     5 S   CO3  _C1_     7     1.53794   112.46197   -19.58105
    8     7 S   O2Z  _O11     8     1.26373   115.00347   -42.40219
    9     7 S   O2Z  _O12     9     1.26241   114.94724   136.75289
   10     5 S   CT   _CB1    10     1.53085   107.42406  -141.34459
   11    10 S   HC   HB11    11     1.09832   109.38550   -49.74101
   12    10 S   HC   HB12    12     1.09814   110.43811    66.87105
   13    10 S   CT   _CG1    13     1.52983   112.60127  -170.72841
   14    13 S   HC   HG11    14     1.09587   110.60771   -65.24622
   15    13 S   HC   HG12    15     1.09670   109.81320    53.98230
   16    13 S   C    _CD1    16     1.51796   112.26973   174.43916
   17    16 S   O    _OE1    17     1.22726   123.32396     5.72724
   18    16 S   N    _N2_    18     1.38645   111.63320  -174.43479
   19    18 S   H    _HN2    19     1.01592   118.90467     1.83462
   20    18 S   CT1  _CA2    20     1.46156   123.38534   177.89876
   21    20 S   HC   _HA2    21     1.09736   109.43780     0.33804
   22    20 S   C    _C2_    22     1.53502   108.63894  -115.20927
   23    22 S   O    _O2_    23     1.23061   122.23142  -148.00503
   24    20 S   CT   _CB2    32     1.53372   111.48476   122.42393
   25    24 S   HC   HB21    33     1.09473   109.60661    55.73030
   26    24 S   HC   HB22    34     1.09431   109.81314   174.60206
   27    22 S   N    _N3_    24     1.38305   113.66826    39.45318
   28    27 S   H    _HN3    25     1.01602   119.57375    -3.45389
   29    24 S   S    _SG2    35     1.83054   111.22866   -65.63989
   30    27 S   CT   _CA3    26     1.45289   123.19740   177.06655
   31    30 S   HC   HA31    27     1.09550   107.51988   -64.22382
   32    30 S   HC   HA32    28     1.09557   107.96863    52.20769
   33    29 S   CT   _C18    36     1.85954   101.16756   174.95578
   34    33 S   Cl   Cl1_    37     1.82878   109.53735   177.79167
   35    30 S   CO3  _C3_    29     1.52956   114.08430   174.19529
   36    35 S   O2Z  _O31    30     1.26374   116.05745    -0.72036
   37    35 S   O2Z  _O32    31     1.26427   114.41637   179.33884
   38    33 S   CM   _C13    38     1.56667   110.92931    59.89679
   39    38 S   CM   _C11    39     1.36370   125.74397    59.98118
   40    38 S   CM   _C14    67     1.47616   114.03840  -116.79990
   41    40 S   HC   _H17    68     1.08491   118.46608   170.66617
   42    39 S   CD   _C10    40     1.48179   123.92808    -6.89953
   43    42 S   HC   _H14    41     1.09485   119.28330    22.73289
   44    40 S   CM   _C15    69     1.34060   124.72264    -5.98147
   45    44 S   Cl   Cl3_    70     1.72886   120.31013   179.14614
   46    42 S   NI   _N6_    42     1.29225   122.77902  -157.88434
   47    44 S   CM   _C16    71     1.43410   122.18548     0.44806
   48    47 S   HC   _H18    72     1.08614   118.51006  -177.73964
   49    46 S   CDX  _C9_    43     1.38619   118.81926     3.90164
   50    33 S   CM   _C17    73     1.53024   108.72273   -67.71498
   51    50 S   Cl   Cl2_    74     1.74239   118.76854   -58.76692
   52    49 S   NI   _N7_    44     1.31145   121.25597   -16.49187
   53    49 S   NE   _N5_    49     1.39818   118.40998   163.67874
   54    39 S   CG   _C12    45     1.49167   126.47717   174.01657
   55    53 S   CT   _C6_    50     1.46757   122.45350   174.35055
   56    55 S   HC   _H8_    51     1.09541   111.79775    16.97507
   57    55 S   HC   _H9_    52     1.09703   108.99906  -101.11620
   58    54 S   NIP  _N8_    46     1.28166   125.23670   -41.18915
   59    58 S   H    _H15    47     1.01950   122.62449    -0.19383
   60    58 S   H    _H16    48     1.02005   120.17038  -177.92547
   61    55 S   CT   _C5_    53     1.53195   110.46076   137.45254
   62    61 S   HC   _H6_    54     1.09670   108.27223   175.70158
   63    61 S   HC   _H7_    55     1.09844   109.42095   -67.52558
   64    61 S   NT   _N4_    56     1.47022   111.19562    54.94614
   65    64 S   CT   _C8_    57     1.47039   109.97855   -58.57945
   66    65 S   HC   _H12    58     1.09846   110.58810   -63.24462
   67    65 S   HC   _H13    59     1.09671   109.83032   178.39161
   68    64 S   CT   _C4_    63     1.46227   110.61296   178.95227
   69    68 S   HC   _H3_    64     1.09565   110.51235  -177.86009
   70    68 S   HC   _H4_    65     1.09604   112.28414    61.04626
   71    68 S   HC   _H5_    66     1.09565   110.51148   -60.04579
   72    53 S   CT   _C7_    60     1.46747   122.71014     5.17449
   73    72 S   HC   _H10    61     1.09702   108.98983   101.05187
   74    72 S   HC   _H11    62     1.09510   111.94843   -17.13080
  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
  12   6   2   1   1  14  13   8   3   7   3   5   3   6   3   2
  12   1   1   7  14   3  11   6   5   2   1   1  11   4   3  10
   9   5   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    54    40    41    44    47    48    50    51  
   38    39    40    47    50    51  
   36    37  
   37  
    0  
   39    42    43    46    52    54    58    40    41    44    45    47    50    51  
   42    43    46    49    52    54    58    59    60    40    41    44    50  
   41    44    45    47    48    50    42    54  
   44    45    47  
   43    46    49    52    54    58    53  
   46    49    54  
   45    47    48    50    51  
   47    48    50  
   49    52    54    53    55    72  
   48    50    51  
   50    51  
   52    54    58    53    55    56    57    61    65    72    73    74  
   51  
    0  
   54    58    59    60    53    55    72  
   55    56    57    61    62    63    64    65    66    67    72    73    74    54  
   58    59    60  
   56    57    61    62    63    64    65    72    73    74    68  
   57    61    62    63    64    72  
   61    62    63    64    72  
   59    60  
   60  
    0  
   62    63    64    65    66    67    72    68    69    70    71  
   63    64    65    68  
   64    65    68  
   65    66    67    72    73    74    68    69    70    71  
   66    67    72    73    74    68    69    70    71  
   67    72    73    74    68  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74  
   74  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.352800   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   50   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   52   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   53   3.2500   0.1700  -0.220000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.7500   0.1050   0.659000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.496500   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   65   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   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    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   245.000  1.781
   33    38   317.000  1.510
   33    50   317.000  1.510
   38    39   549.000  1.340
   38    40   380.000  1.444
   39    42   320.000  1.464
   39    54   400.000  1.403
   42    43   370.000  1.093
   42    46   500.000  1.261
   46    49   630.000  1.388
   49    52   650.000  1.285
   49    53   445.000  1.380
   52    54   440.000  1.338
   54    58   635.000  1.286
   58    59   490.000  1.015
   58    60   490.000  1.015
   53    55   382.000  1.448
   53    72   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   382.000  1.448
   64    65   382.000  1.448
   64    68   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   300.000  1.725
   44    47   380.000  1.444
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   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    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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    50    47    70.00000  124.00000
   33    50    51    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    60.00000  120.31500
   38    39    54    65.00000  121.68800
   38    40    41    35.00000  120.00000
   38    40    44    70.00000  123.01800
   39    42    43    40.00000  113.81000
   39    42    46    70.00000  121.86000
   39    54    52    75.00000  109.42000
   39    54    58    65.00000  126.03000
   42    46    49    80.00000  112.72500
   46    42    43    45.00000  120.55300
   46    49    52    75.00000  130.08800
   46    49    53    75.00000  124.36500
   49    52    54    70.00000  113.10000
   49    53    55    50.00000  119.50000
   49    53    72    50.00000  119.50000
   52    54    58    85.00000  118.94000
   54    39    42    60.00000  120.31500
   54    58    59    45.00000  118.89500
   54    58    60    45.00000  118.89500
   60    58    59    30.00000  117.83200
   53    49    52    75.00000  124.36500
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    61    80.00000  111.61500
   53    72    65    80.00000  111.61500
   53    72    73    35.00000  109.50000
   53    72    74    35.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    56.20000  109.47000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    51.80000  107.20000
   61    64    68    51.80000  107.20000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    72    56.20000  109.47000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   67    65    66    33.00000  107.80000
   72    53    55    50.00000  115.00000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   74    72    73    33.00000  107.80000
   68    64    65    51.80000  107.20000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   40    38    39    70.00000  123.01800
   40    44    45    75.00000  121.50000
   40    44    47    70.00000  123.01800
   44    40    41    35.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    50    70.00000  123.01800
   47    44    45    75.00000  121.50000
   47    50    51    75.00000  121.50000
   50    33    34    75.00000  111.90500
   50    33    38    70.00000  110.12100
   50    47    48    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    47   0.42700  1.0 1.0
   29    33    50    47  -0.70350 -1.0 2.0
   29    33    50    47  -0.43150  1.0 3.0
   29    33    50    51   0.09700  1.0 1.0
   29    33    50    51   0.15600 -1.0 2.0
   29    33    50    51  -0.50800  1.0 3.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    54   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44  -0.18600  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    50    47   0.09700  1.0 1.0
   34    33    50    47   0.15600 -1.0 2.0
   34    33    50    47  -0.50800  1.0 3.0
   34    33    50    51   0.09700  1.0 1.0
   34    33    50    51   0.15600 -1.0 2.0
   34    33    50    51  -0.50800  1.0 3.0
   38    33    50    47  -0.28300  1.0 1.0
   38    33    50    47   0.26700 -1.0 2.0
   38    33    50    47  -0.63300  1.0 3.0
   38    33    50    51   0.09700  1.0 1.0
   38    33    50    51   0.15600 -1.0 2.0
   38    33    50    51  -0.50800  1.0 3.0
   38    39    42    43   1.36050 -1.0 2.0
   38    39    42    46   1.09650  1.0 1.0
   38    39    42    46   0.48950 -1.0 2.0
   38    39    42    46   0.49400  1.0 3.0
   38    39    54    52   1.09650  1.0 1.0
   38    39    54    52   0.48950 -1.0 2.0
   38    39    54    52   0.49400  1.0 3.0
   38    39    54    58   1.09700  1.0 1.0
   38    39    54    58   0.56350 -1.0 2.0
   38    39    54    58   0.49350  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    47   7.00000 -1.0 2.0
   39    38    40    41  -0.18600  1.0 3.0
   39    38    40    44   0.28850  1.0 1.0
   39    38    40    44   2.61350 -1.0 2.0
   39    38    40    44   0.78400  1.0 3.0
   39    42    46    49   6.00000 -1.0 2.0
   39    54    58    59   2.00000 -1.0 2.0
   39    54    58    60   2.00000 -1.0 2.0
   42    39    54    52   1.09650  1.0 1.0
   42    39    54    52   0.48950 -1.0 2.0
   42    39    54    52   0.49400  1.0 3.0
   42    39    54    58   1.09700  1.0 1.0
   42    39    54    58   0.56350 -1.0 2.0
   42    39    54    58   0.49350  1.0 3.0
   42    46   -49    52   0.00050  1.0 1.0
   42    46   -49    52   2.00000 -1.0 2.0
   42    46    49    53   0.00050  1.0 1.0
   42    46    49    53   2.00000 -1.0 2.0
   43    42    46    49   4.00000 -1.0 2.0
   46    49    52    54   6.00000 -1.0 2.0
   46    49    53    55  -0.86000  1.0 1.0
   46    49    53    55   0.84650 -1.0 2.0
   46    49    53    72  -0.86000  1.0 1.0
   46    49    53    72   0.84650 -1.0 2.0
   49    52   -54    39   6.00000 -1.0 2.0
   49    52    54    58   6.00000 -1.0 2.0
   49    53    55    56   0.00000  1.0 1.0
   49    53    55    57   0.00000  1.0 1.0
   49    53    55    61   0.38950  1.0 1.0
   49    53    55    61  -0.47050 -1.0 2.0
   49    53    55    61   0.83150  1.0 3.0
   49    53    72    65   0.38950  1.0 1.0
   49    53    72    65  -0.47050 -1.0 2.0
   49    53    72    65   0.83150  1.0 3.0
   49    53    72    73   0.00000  1.0 1.0
   49    53    72    74   0.00000  1.0 1.0
   52    49    53    55  -0.86000  1.0 1.0
   52    49    53    55   0.84650 -1.0 2.0
   52    49    53    72  -0.86000  1.0 1.0
   52    49    53    72   0.84650 -1.0 2.0
   52    54    58    59   2.00000 -1.0 2.0
   52    54    58    60   2.00000 -1.0 2.0
   54    39    42    43   1.36050 -1.0 2.0
   54    39   -42    46   1.09650  1.0 1.0
   54    39   -42    46   0.48950 -1.0 2.0
   54    39   -42    46   0.49400  1.0 3.0
   53    49    52    54   6.00000 -1.0 2.0
   53    55    61    62   0.22950  1.0 3.0
   53    55    61    63   0.22950  1.0 3.0
   53    55    61    64   4.29400  1.0 1.0
   53    55    61    64   0.12050 -1.0 2.0
   55    53    72    65   0.00000  1.0 1.0
   55    53    72    73   0.00000  1.0 1.0
   55    53    72    74   0.00000  1.0 1.0
   55    61   -64    65   0.23450  1.0 1.0
   55    61   -64    65   0.02050 -1.0 2.0
   55    61   -64    65   0.25250  1.0 3.0
   55    61    64    68   0.58650  1.0 1.0
   55    61    64    68   0.12600 -1.0 2.0
   55    61    64    68   0.33350  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    64    65    66   0.28000  1.0 3.0
   61    64    65    67   0.28000  1.0 3.0
   61    64    65    72   0.23450  1.0 1.0
   61    64    65    72   0.02050 -1.0 2.0
   61    64    65    72   0.25250  1.0 3.0
   61    64    68    69   0.28000  1.0 3.0
   61    64    68    70   0.28000  1.0 3.0
   61    64    68    71   0.28000  1.0 3.0
   62    61    64    65   0.28000  1.0 3.0
   62    61    64    68   0.28000  1.0 3.0
   63    61    64    65   0.28000  1.0 3.0
   63    61    64    68   0.28000  1.0 3.0
   64    65   -72    53   4.29400  1.0 1.0
   64    65   -72    53   0.12050 -1.0 2.0
   64    65    72    73   0.15000  1.0 3.0
   64    65    72    74   0.15000  1.0 3.0
   65    64    68    69   0.28000  1.0 3.0
   65    64    68    70   0.28000  1.0 3.0
   65    64    68    71   0.28000  1.0 3.0
   66    65    72    53   0.22950  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   67    65    72    53   0.22950  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   72    53    55    56   0.00000  1.0 1.0
   72    53    55    57   0.00000  1.0 1.0
   72    53   -55    61   0.00000  1.0 1.0
   68    64    65    66   0.28000  1.0 3.0
   68    64    65    67   0.28000  1.0 3.0
   68    64    65    72   0.58650  1.0 1.0
   68    64    65    72   0.12600 -1.0 2.0
   68    64    65    72   0.33350  1.0 3.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    54   7.00000 -1.0 2.0
   40    44    47    48  -0.18600  1.0 3.0
   40    44    47    50   0.28850  1.0 1.0
   40    44    47    50   2.61350 -1.0 2.0
   40    44    47    50   0.78400  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47   -50    33   7.00000 -1.0 2.0
   44    47    50    51   7.00000 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    50  -0.18600  1.0 3.0
   48    47    50    33   7.00000 -1.0 2.0
   48    47    50    51   7.00000 -1.0 2.0
   50    33    38    39  -0.28300  1.0 1.0
   50    33    38    39   0.26700 -1.0 2.0
   50    33    38    39  -0.63300  1.0 3.0
   50    33   -38    40  -0.28300  1.0 1.0
   50    33   -38    40   0.26700 -1.0 2.0
   50    33   -38    40  -0.63300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   42    54    39    38   1.10000 -1.0 2.0
   39    43    42    46  10.50000 -1.0 2.0
   46    53    49    52  10.50000 -1.0 2.0
   52    39    54    58  10.50000 -1.0 2.0
   59    60    58    54   1.00000 -1.0 2.0
   72    49    53    55   1.00000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   44    48    47    50   1.10000 -1.0 2.0
   33    51    50    47   1.10000 -1.0 2.0
END
