* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    206     386
    1     0 S   NP   _N1_     1    28.77630    94.18107   -20.73562
    2     1 S   H    _HN1     2     1.02959    95.44615    28.22934
    3     1 S   H    _H1_     3     1.02839    30.65398   142.90342
    4     1 S   H    _H2_     4     1.02781    85.54454   -79.77406
    5     1 S   CT   _CA1     5     1.50109   140.52609   160.09161
    6     5 S   HC   _HA1     6     1.09572   105.26860    49.98466
    7     5 S   CO3  _C1_     7     1.53814   112.28751   -70.30993
    8     7 S   O2Z  _O11     8     1.26363   115.02186   -46.01261
    9     7 S   O2Z  _O12     9     1.26230   114.92405   133.18660
   10     5 S   CT   _CB1    10     1.53090   107.43314   167.92708
   11    10 S   HC   HB11    11     1.09820   109.44186   -50.27547
   12    10 S   HC   HB12    12     1.09825   110.39110    66.30770
   13    10 S   CT   _CG1    13     1.52995   112.62570  -171.38126
   14    13 S   HC   HG11    14     1.09545   110.39585   -60.51010
   15    13 S   HC   HG12    15     1.09634   110.11332    58.62028
   16    13 S   C    _CD1    16     1.51793   112.18260   178.82613
   17    16 S   O    _OE1    17     1.22731   123.18618   -10.31349
   18    16 S   N    _N2_    18     1.38553   111.66523   170.33102
   19    18 S   H    _HN2    19     1.01589   119.07370     0.62055
   20    18 S   CT1  _CA2    20     1.46268   123.49793  -178.28582
   21    20 S   HC   _HA2    21     1.09731   109.40103   -11.01065
   22    20 S   C    _C2_    22     1.53437   108.45591  -126.69423
   23    22 S   O    _O2_    23     1.23013   122.28256  -147.26234
   24    20 S   CT   _CB2    32     1.53351   111.09926   111.02358
   25    24 S   HC   HB21    33     1.09634   109.57245    55.50691
   26    24 S   HC   HB22    34     1.09530   110.74020   173.71007
   27    22 S   N    _N3_    24     1.38533   113.39832    40.27685
   28    27 S   H    _HN3    25     1.01519   118.86200    -0.84000
   29    24 S   S    _SG2    35     1.82724   111.45374   -66.82471
   30    27 S   CT   _CA3    26     1.45443   123.51702   175.09412
   31    30 S   HC   HA31    27     1.09518   109.32619    22.84372
   32    30 S   HC   HA32    28     1.09499   107.10451   139.85042
   33    29 S   CM   _C6_    36     1.75781    99.74928   151.84148
   34    30 S   CO3  _C3_    29     1.52911   113.03885  -100.69888
   35    34 S   O2Z  _O31    30     1.26410   115.37340   -45.56056
   36    34 S   O2Z  _O32    31     1.26352   115.01157   135.38530
   37    33 S   CM   _C5_    37     1.35566   121.01294   -81.68130
   38    37 S   CM   _C18    38     1.46158   120.73785   178.64564
   39    38 S   Br   Br1_    39     1.87500   119.77811  -159.57624
   40    37 S   OS   _O33    70     1.38604   122.66566     3.63114
   41    38 S   CM   _C17    40     1.34451   120.02578    20.85125
   42    41 S   HC   _H17    41     1.08656   120.32645   177.42587
   43    40 S   CT   _C4_    71     1.42896   111.12042   -96.74746
   44    43 S   HC   _H4_    72     1.09352   107.81142  -176.77372
   45    43 S   HC   _H5_    73     1.09478   111.05418    64.92194
   46    43 S   HC   _H6_    74     1.09499   111.68733   -58.25691
   47    41 S   CT   _C8_    42     1.51942   121.66212    -2.53250
   48    47 S   CT   _C9_    43     1.53233   112.88925  -157.27415
   49    48 S   HC   _H7_    44     1.09517   113.34815   156.92543
   50    48 S   HC   _H8_    45     1.09264   114.20208    29.75302
   51    33 S   CT   _C7_    67     1.53949   117.20829   102.46107
   52    51 S   OM   _O36    68     1.32833   106.46384   -88.71846
   53    51 S   HC   _H3_    69     1.10197   105.74346    39.42781
   54    48 S   CD   _C10    46     1.47623    98.27682   -89.98826
   55    54 S   NI   _N4_    47     1.28771   116.87773   -16.84529
   56    54 S   C    _C11    49     1.48931   120.79125   164.86395
   57    56 S   O    _O35    50     1.22009   118.49352   107.82778
   58    47 S   OS   _O34    48     1.45994   106.34266    90.49015
   59    56 S   N    _N5_    51     1.37563   112.81312   -71.86516
   60    59 S   H    _H9_    52     1.01557   119.63235    -1.03022
   61    59 S   CT   _C12    53     1.45182   122.53764   177.35810
   62    61 S   HC   _H10    54     1.09544   107.20858   155.85110
   63    61 S   HC   _H11    55     1.09571   108.27361    39.32903
   64    61 S   CT   _C13    56     1.52938   112.34274   -81.69629
   65    64 S   HC   _H12    57     1.09703   110.17937    58.24450
   66    64 S   HC   _H13    58     1.09680   108.86411   174.87837
   67    64 S   C5A  _C14    59     1.48847   112.27555   -64.55494
   68    67 S   C5B  _C15    60     1.37868   132.44153   -83.40413
   69    68 S   HA   _H14    61     1.08084   127.54889    -0.18767
   70    68 S   N5B  _N6_    62     1.37185   111.30340   179.57942
   71    70 S   CRA  _C16    63     1.31375   104.87808     0.14537
   72    71 S   HA   _H15    64     1.08088   126.06485  -179.88636
   73    67 S   NA   _N7_    65     1.37222   123.14113    96.53963
   74    73 S   H    _H16    66     1.01144   126.28025    -0.00000
  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   8   5   4   3
  12   2   1   1  13   9   4   6  11   4   3   2   1   1  10  11
   6   5   5   2   1   7   4   8   3   1   8   4   8   5   4   9
   4   3   7   6   3   4   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    51    52    53    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    47    48    58    51    52    53    40    43  
   35    36  
   36  
    0  
   38    39    41    42    47    51    52    53    40    43    44    45    46  
   39    41    42    47    48    58    51    40    43  
   41    42    47    40  
   43    44    45    46    41    51  
   42    47    48    49    50    54    55    58    51    52    53  
   47    48    58    51  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    54    55    58    56    51    52    53  
   49    50    54    55    58    56    57    59    51    52    53  
   50    54    55    58    56    51  
   54    55    58    56    51  
   52    53    54    55    58  
   53    58  
   58  
   55    58    56    57    59    60    61  
   58    56    57    59  
   57    59    60    61    62    63    64    58  
   59    60    61  
    0  
   60    61    62    63    64    65    66    67  
   61    62    63    64  
   62    63    64    65    66    67    68    73  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    73    74  
   66    67    68    73  
   67    68    73  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71    73  
   71    72    73    74  
   72    73    74  
   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   55   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.014000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.233000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.185000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.075000   1.3810   1.2100   0.030040813   0.268726247
   70   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   71   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.257000   1.8000   1.6000   0.001000000  -0.511443539
   74   0.5000   0.0300   0.306000   0.9960   0.8600   0.030040813  -0.651083722
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   240.000  1.763
   33    37   549.000  1.340
   33    51   317.000  1.510
   37    38   380.000  1.444
   37    40   440.000  1.360
   38    39   165.000  1.979
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   268.000  1.529
   47    58   320.000  1.410
   47    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   270.000  1.508
   54    55   500.000  1.261
   54    56   270.000  1.486
   55    58   320.000  1.394
   56    57   570.000  1.229
   56    59   490.000  1.335
   59    60   434.000  1.010
   59    61   337.000  1.449
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   295.000  1.489
   67    68   520.000  1.370
   67    73   427.000  1.381
   68    69   367.000  1.080
   68    70   410.000  1.394
   70    71   488.000  1.335
   71    72   367.000  1.080
   71    73   477.000  1.343
   73    74   434.000  1.010
   51    52   570.000  1.307
   51    53   340.000  1.090
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    65.00000  117.37300
   33    37    38    70.00000  123.01800
   33    37    40    80.00000  120.01400
   33    51    47    70.00000  112.02700
   33    51    52    85.00000  110.90400
   33    51    53    35.00000  109.50000
   37    38    39    65.00000  115.01300
   37    38    41    70.00000  123.01800
   37    40    43    90.00000  111.18400
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    65.00000  115.01300
   41    47    48    70.00000  112.02700
   41    47    58    85.00000  110.90400
   41    47    51    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    54    70.00000  111.76100
   47    58    55   110.00000  106.71400
   47    51    52    50.00000  109.50000
   47    51    53    37.50000  110.70000
   48    54    55    65.00000  122.10100
   48    54    56    60.00000  116.68000
   50    48    49    33.00000  107.80000
   54    48    49    45.00000  109.49600
   54    48    50    45.00000  109.49600
   54    55    58   100.00000  109.52600
   54    56    57    80.00000  120.45000
   54    56    59    75.00000  109.57000
   58    47    48    50.00000  109.50000
   56    54    55    65.00000  123.79500
   56    59    60    35.00000  119.80000
   56    59    61    50.00000  121.90000
   59    56    57    80.00000  122.90000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    70.00000  110.72300
   61    59    60    38.00000  118.40000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    70.00000  113.44400
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    55.00000  130.44200
   64    67    73    65.00000  122.56900
   66    64    65    33.00000  107.80000
   67    64    65    45.00000  110.47400
   67    64    66    45.00000  110.47400
   67    68    69    35.00000  128.20000
   67    68    70    70.00000  111.00000
   67    73    71    70.00000  109.80000
   67    73    74    35.00000  120.00000
   68    70    71    70.00000  110.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    73    70.00000  120.00000
   71    73    74    35.00000  120.00000
   73    67    68    70.00000  106.30000
   73    71    72    35.00000  120.00000
   51    33    37    70.00000  124.00000
   51    47    48    58.35000  112.70000
   51    47    58    50.00000  109.50000
   53    51    52    45.00000  125.66300
   40    37    38    80.00000  120.01400
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -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   7.00000 -1.0 2.0
   29    33    37    40   7.00000 -1.0 2.0
   29    33    51    47   0.09700  1.0 1.0
   29    33    51    47   0.15600 -1.0 2.0
   29    33    51    47  -0.50800  1.0 3.0
   29    33    51    52   0.09700  1.0 1.0
   29    33    51    52   0.15600 -1.0 2.0
   29    33    51    52  -0.50800  1.0 3.0
   29    33    51    53   0.00000  1.0 1.0
   33    37    38    39  -0.18600  1.0 3.0
   33    37    38    41   0.28850  1.0 1.0
   33    37    38    41   2.61350 -1.0 2.0
   33    37    38    41   0.78400  1.0 3.0
   33    37    40    43  -2.26850  1.0 1.0
   33    37    40    43   3.39050 -1.0 2.0
   37    33    51    47   0.09850  1.0 1.0
   37    33    51    47   0.15250 -1.0 2.0
   37    33    51    47  -0.50650  1.0 3.0
   37    33    51    52   0.39000  1.0 1.0
   37    33    51    52  -0.05800 -1.0 2.0
   37    33    51    52  -0.55150  1.0 3.0
   37    33    51    53   0.00000  1.0 1.0
   37    38    41    42   7.00000 -1.0 2.0
   37    38   -41    47   7.00000 -1.0 2.0
   37    40    43    44   0.08050  1.0 3.0
   37    40    43    45   0.08050  1.0 3.0
   37    40    43    46   0.08050  1.0 3.0
   38    37    40    43  -2.26850  1.0 1.0
   38    37    40    43   3.39050 -1.0 2.0
   38    41    47    48   0.09850  1.0 1.0
   38    41    47    48   0.15250 -1.0 2.0
   38    41    47    48  -0.50650  1.0 3.0
   38    41    47    58   0.39000  1.0 1.0
   38    41    47    58  -0.05800 -1.0 2.0
   38    41    47    58  -0.55150  1.0 3.0
   38    41    47    51   0.09850  1.0 1.0
   38    41    47    51   0.15250 -1.0 2.0
   38    41    47    51  -0.50650  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    48    49   0.15000  1.0 3.0
   41    47    48    50   0.15000  1.0 3.0
   41    47    48    54   0.31000  1.0 1.0
   41    47    48    54   0.14700 -1.0 2.0
   41    47    48    54   0.07550  1.0 3.0
   41    47    58    55   0.37500  1.0 3.0
   41    47   -51    33   0.31000  1.0 1.0
   41    47   -51    33   0.14700 -1.0 2.0
   41    47   -51    33   0.07550  1.0 3.0
   41    47    51    52   0.61850  1.0 1.0
   41    47    51    52  -0.22750 -1.0 2.0
   41    47    51    52   0.15300  1.0 3.0
   41    47    51    53   0.15000  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    58   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   47    48   -54    55   0.00000  1.0 1.0
   47    48    54    56   0.00000  1.0 1.0
   48    47   -58    55   0.37500  1.0 3.0
   48    47    51    33   0.34400  1.0 1.0
   48    47    51    33   0.09450 -1.0 2.0
   48    47    51    33   0.11100  1.0 3.0
   48    47    51    52   0.62750  1.0 1.0
   48    47    51    52  -0.30950 -1.0 2.0
   48    47    51    52   0.27300  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    54   -55    58   6.00000 -1.0 2.0
   48    54    56    57   1.00000 -1.0 2.0
   48    54    56    59   1.50000 -1.0 2.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   50    48    54    55   0.00000  1.0 1.0
   50    48    54    56   0.00000  1.0 1.0
   54    55   -58    47   1.50000 -1.0 2.0
   54    56    59    60   2.56700 -1.0 2.0
   54    56    59    61   1.49850  1.0 1.0
   54    56    59    61   1.53950 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    59   1.50000 -1.0 2.0
   58    47    48    49   0.23400  1.0 3.0
   58    47    48    50   0.23400  1.0 3.0
   58    47   -48    54   0.61850  1.0 1.0
   58    47   -48    54  -0.22750 -1.0 2.0
   58    47   -48    54   0.15300  1.0 3.0
   58    47    51    33   0.61850  1.0 1.0
   58    47    51    33  -0.22750 -1.0 2.0
   58    47    51    33   0.15300  1.0 3.0
   58    47    51    52   1.11900  1.0 1.0
   58    47    51    52  -1.16350 -1.0 2.0
   58    47    51    52  -0.34150  1.0 3.0
   58    47    51    53   0.23400  1.0 3.0
   56    54    55    58   6.00000 -1.0 2.0
   56    59    61    62   0.00000  1.0 1.0
   56    59    61    63   0.00000  1.0 1.0
   56    59    61    64  -0.43950  1.0 1.0
   56    59    61    64  -0.08100 -1.0 2.0
   56    59    61    64   0.03350  1.0 3.0
   57    56    59    60   2.45000 -1.0 2.0
   57    56    59    61   3.04450 -1.0 2.0
   59    61    64    65   0.15000  1.0 3.0
   59    61    64    66   0.15000  1.0 3.0
   59    61    64    67   0.08550  1.0 1.0
   59    61    64    67   1.07500 -1.0 2.0
   59    61    64    67  -0.10950  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    64   0.00000  1.0 1.0
   61    64    67    68   0.04150 -1.0 2.0
   61    64    67    73   0.39850  1.0 1.0
   61    64    67    73   0.06450 -1.0 2.0
   61    64    67    73   0.32400  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.43200  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.43200  1.0 3.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    73    71   3.62500 -1.0 2.0
   64    67    73    74   2.00000 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    73   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    73   0.00000  1.0 1.0
   67    68   -70    71   2.40000 -1.0 2.0
   68    67   -73    71   1.40000 -1.0 2.0
   68    67    73    74   1.40000 -1.0 2.0
   68    70    71    72   5.00000 -1.0 2.0
   68    70   -71    73   5.00000 -1.0 2.0
   69    68    70    71   2.40000 -1.0 2.0
   70    71   -73    67   2.32500 -1.0 2.0
   70    71    73    74   2.32500 -1.0 2.0
   72    71    73    67   2.32500 -1.0 2.0
   72    71    73    74   2.32500 -1.0 2.0
   73    67    68    69   5.37500 -1.0 2.0
   73    67   -68    70   5.37500 -1.0 2.0
   51    33   -37    38   7.00000 -1.0 2.0
   51    33    37    40   7.00000 -1.0 2.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    54   0.34400  1.0 1.0
   51    47    48    54   0.09450 -1.0 2.0
   51    47    48    54   0.11100  1.0 3.0
   51    47    58    55   0.37500  1.0 3.0
   40    37    38    39   1.08500 -1.0 2.0
   40    37    38    41  -0.51250  1.0 1.0
   40    37    38    41   1.23350 -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
   29    51    33    37   1.10000 -1.0 2.0
   38    40    37    33   1.10000 -1.0 2.0
   37    39    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   48    56    54    55  10.50000 -1.0 2.0
   54    59    56    57  10.50000 -1.0 2.0
   60    56    59    61   1.00000 -1.0 2.0
   68    73    67    64   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   74    67    73    71   1.00000 -1.0 2.0
END
