* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    226     420
    1     0 S   NP   _N1_     1    28.58802    95.11819   -21.85611
    2     1 S   H    _HN1     2     1.02837    32.02364   165.55637
    3     1 S   H    _H1_     3     1.02779    93.42607   -75.44973
    4     1 S   H    _H2_     4     1.02960    85.49468    32.67863
    5     1 S   CT   _CA1     5     1.50109   142.09790   150.59177
    6     5 S   HC   _HA1     6     1.09575   105.24706    67.57068
    7     5 S   CO3  _C1_     7     1.53792   112.38671   -52.67196
    8     7 S   O2Z  _O11     8     1.26358   115.00602   -44.25264
    9     7 S   O2Z  _O12     9     1.26238   114.91706   134.96435
   10     5 S   CT   _CB1    10     1.53096   107.43828  -174.50877
   11    10 S   HC   HB11    11     1.09823   109.35969   -50.88139
   12    10 S   HC   HB12    12     1.09821   110.40508    65.67500
   13    10 S   CT   _CG1    13     1.53001   112.65805  -171.99435
   14    13 S   HC   HG11    14     1.09603   110.41495   -63.16475
   15    13 S   HC   HG12    15     1.09648   110.02411    56.06068
   16    13 S   C    _CD1    16     1.51802   112.31858   176.43723
   17    16 S   O    _OE1    17     1.22716   123.28439    -3.34703
   18    16 S   N    _N2_    18     1.38610   111.59785   176.77238
   19    18 S   H    _HN2    19     1.01592   118.98971     1.29995
   20    18 S   CT1  _CA2    20     1.46154   123.41545  -178.93284
   21    20 S   HC   _HA2    21     1.09734   109.38529   -11.96776
   22    20 S   C    _C2_    22     1.53437   108.30882  -127.63465
   23    22 S   O    _O2_    23     1.23018   122.22328  -145.64944
   24    20 S   CT   _CB2    32     1.53506   111.50655   110.17707
   25    24 S   HC   HB21    33     1.09466   109.73503    55.84727
   26    24 S   HC   HB22    34     1.09478   109.71586   174.53948
   27    22 S   N    _N3_    24     1.38496   113.37678    41.68310
   28    27 S   H    _HN3    25     1.01526   118.92622    -0.61421
   29    24 S   S    _SG2    35     1.82950   111.66636   -66.39651
   30    27 S   CT   _CA3    26     1.45454   123.47933   175.10167
   31    30 S   HC   HA31    27     1.09521   109.28889    23.45215
   32    30 S   HC   HA32    28     1.09498   107.11122   140.46878
   33    29 S   CT   _C16    36     1.86093   101.95595   160.17270
   34    30 S   CO3  _C3_    29     1.52924   113.06538  -100.05705
   35    34 S   O2Z  _O31    30     1.26407   115.38454   -44.82491
   36    34 S   O2Z  _O32    31     1.26351   114.99422   136.09359
   37    33 S   CT   _C9_    37     1.55650   110.15561    56.39786
   38    37 S   HC   _H24    38     1.09518   108.77225   -55.31366
   39    37 S   HC   _H25    39     1.09956   109.29600  -167.26793
   40    33 S   CT   _C13    53     1.56296   108.21659  -177.46156
   41    40 S   HC   _H30    54     1.10252   105.91977    51.45437
   42    37 S   CT   _C11    40     1.53320   116.43036    69.70806
   43    42 S   HC   _H28    41     1.09596   111.99019   -43.67148
   44    40 S   CT   _C8_    55     1.53301   104.71607   162.57640
   45    44 S   HC   _H22    56     1.09298   111.61275  -149.81815
   46    44 S   HC   _H23    57     1.09093   113.68618    84.50418
   47    42 S   CM   _C4_    42     1.49590   116.02417  -166.67622
   48    44 S   CO4  _C6_    58     1.50842   101.83769   -32.19255
   49    48 S   O    _O17    59     1.22537   123.31849  -170.13090
   50    47 S   CO4  _C5_    43     1.47888   108.61951  -142.73782
   51    50 S   O    _O16    44     1.21730   127.18765  -168.85885
   52    33 S   CT   _C12    60     1.56771   113.45379   -65.39589
   53    52 S   HC   _H29    61     1.09627   110.85194    94.32638
   54    47 S   CM   _C7_    70     1.33617   130.30968    36.99659
   55    54 S   HC   _H20    71     1.08424   121.51739     0.91792
   56    54 S   HC   _H21    72     1.08553   121.58248  -179.78150
   57    50 S   OS   _O18    45     1.36254   106.88843     9.85616
   58    52 S   CT   _C17    62     1.52790   118.23922   -33.23152
   59    58 S   HC   _H33    63     1.09473   112.32902   -51.01939
   60    58 S   HC   _H34    64     1.09624   110.40297  -170.10688
   61    58 S   HC   _H35    65     1.09296   111.63195    71.11076
   62    42 S   CT   _C15    46     1.52003   110.73204    81.35994
   63    62 S   HC   _H32    47     1.09845   111.29221    38.02103
   64    62 S   CT   _C10    48     1.52333   116.05401   -86.54062
   65    64 S   HC   _H26    49     1.09951   108.93357   -94.69226
   66    64 S   HC   _H27    50     1.09893   107.57695   153.02523
   67    64 S   CT   _C14    51     1.53602   117.73446    28.40559
   68    67 S   HC   _H31    52     1.09678   107.04256   -76.76531
   69    67 S   CT   _C18    66     1.54037   107.92073   170.19962
   70    69 S   HC   _H36    67     1.09504   111.47860   -66.00232
   71    69 S   HC   _H37    68     1.09527   110.95768   173.42177
   72    69 S   HC   _H38    69     1.09554   110.79494    54.26192
  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  13   5   4   3
  24   2   1   1  19   7   6  20   9  15   7  11   5   4   9   8
   3   8   3   6   4   4   1   1   6   3   2   1   1   7   4   8
   4   3   5   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    40    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    67    40    41    44    48    52    53    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    62    64    67    68    40    41    44    45    46    48    49    52    53    58    59    60    61    69  
   35    36  
   36  
    0  
   38    39    42    43    47    50    57    62    63    64    67    40    41    44    48    52    53    58    54  
   39    42    43    47    62    40    52  
   42    43    47    62    40    52  
   41    44    45    46    48    49    52    53    58    69    70    71    72    42    62    64    65    66    67    68  
   44    45    46    48    52    69    64    67    68  
   43    47    50    51    57    62    63    64    65    66    67    52    54    55    56  
   47    50    57    62    63    64    54  
   45    46    48    49    52    53    58    69    64    67    68  
   46    48    49    52    67  
   48    49    52    67  
   50    51    57    62    63    64    54    55    56  
   49    52    53    58    59    60    61    67  
   52    53    58  
   51    57    62    63    64    54    55    56  
   57    62    54  
   53    58    59    60    61    67  
   58    59    60    61  
   55    56    57    62  
   56  
    0  
   62    63    64    65    66    67  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   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    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   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    52   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    47   317.000  1.510
   42    62   268.000  1.529
   47    50   320.000  1.462
   47    54   549.000  1.340
   50    51   570.000  1.229
   50    57   214.000  1.327
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    40   268.000  1.529
   67    69   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.522
   48    49   570.000  1.229
   48    52   317.000  1.522
   52    53   340.000  1.090
   52    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    52    48    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    58    58.35000  112.70000
   37    42    43    37.50000  110.70000
   37    42    47    70.00000  112.02700
   37    42    62    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    50    65.00000  116.34900
   42    47    54    70.00000  124.00000
   42    62    57    50.00000  109.50000
   42    62    63    37.50000  110.70000
   42    62    64    58.35000  112.70000
   47    42    43    35.00000  109.50000
   47    50    51    80.00000  123.72100
   47    50    57    90.00000  111.29400
   47    54    55    35.00000  120.00000
   47    54    56    35.00000  120.00000
   50    57    62    83.00000  116.90000
   57    50    51    83.00000  123.40000
   57    62    63    35.00000  109.50000
   57    62    64    50.00000  109.50000
   62    42    43    37.50000  110.70000
   62    42    47    70.00000  112.02700
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    58.35000  112.70000
   64    62    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    40    58.35000  112.70000
   64    67    69    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    40    41    37.50000  110.70000
   67    40    44    58.35000  112.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    63.00000  111.10000
   44    40    41    37.50000  110.70000
   44    48    49    80.00000  120.40000
   44    48    52    70.00000  116.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    52    53    35.00000  109.50000
   48    52    58    63.00000  111.10000
   52    33    37    58.35000  112.70000
   52    33    40    58.35000  112.70000
   52    48    49    80.00000  120.40000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   58    52    53    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   69    67    68    37.50000  110.70000
   69    67    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   54    47    50    65.00000  118.96000
   56    54    55    35.00000  117.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.44750  1.0 1.0
   29    33    52    58  -0.17800 -1.0 2.0
   29    33    52    58   0.20200  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    47   0.34400  1.0 1.0
   33    37    42    47   0.09450 -1.0 2.0
   33    37    42    47   0.11100  1.0 3.0
   33    37    42    62   0.56750  1.0 1.0
   33    37    42    62  -0.07550 -1.0 2.0
   33    37    42    62   0.20000  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40   -44    48  -0.95700  1.0 1.0
   33    40   -44    48  -0.18200 -1.0 2.0
   33    40   -44    48   0.29450  1.0 3.0
   33    52    58    59   0.15000  1.0 3.0
   33    52    58    60   0.15000  1.0 3.0
   33    52    58    61   0.15000  1.0 3.0
   37    33    40    67   0.56750  1.0 1.0
   37    33    40    67  -0.07550 -1.0 2.0
   37    33    40    67   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    33    52    48  -0.95700  1.0 1.0
   37    33    52    48  -0.18200 -1.0 2.0
   37    33    52    48   0.29450  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    58   0.56750  1.0 1.0
   37    33    52    58  -0.07550 -1.0 2.0
   37    33    52    58   0.20000  1.0 3.0
   37    42    47    50   0.09700  1.0 1.0
   37    42    47    50   0.15600 -1.0 2.0
   37    42    47    50  -0.50800  1.0 3.0
   37    42    47    54   0.09850  1.0 1.0
   37    42    47    54   0.15250 -1.0 2.0
   37    42    47    54  -0.50650  1.0 3.0
   37    42    62    57   0.62750  1.0 1.0
   37    42    62    57  -0.30950 -1.0 2.0
   37    42    62    57   0.27300  1.0 3.0
   37    42    62    63   0.15000  1.0 3.0
   37    42    62    64   0.56750  1.0 1.0
   37    42    62    64  -0.07550 -1.0 2.0
   37    42    62    64   0.20000  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   38    37    42    62   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    47   0.15000  1.0 3.0
   39    37    42    62   0.15000  1.0 3.0
   42    47    50    51  -0.64400  1.0 1.0
   42    47    50    51   0.26850 -1.0 2.0
   42    47   -50    57  -0.15000  1.0 1.0
   42    47   -50    57   0.89550 -1.0 2.0
   42    47   -50    57  -0.06900  1.0 3.0
   42    47    54    55   7.00000 -1.0 2.0
   42    47    54    56   7.00000 -1.0 2.0
   42    62    64    65   0.15000  1.0 3.0
   42    62    64    66   0.15000  1.0 3.0
   42    62    64    67   0.56750  1.0 1.0
   42    62    64    67  -0.07550 -1.0 2.0
   42    62    64    67   0.20000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    42    47    54   0.00000  1.0 1.0
   43    42    62    57   0.23400  1.0 3.0
   43    42    62    63   0.15000  1.0 3.0
   43    42    62    64   0.15000  1.0 3.0
   47    42   -62    57   0.61850  1.0 1.0
   47    42   -62    57  -0.22750 -1.0 2.0
   47    42   -62    57   0.15300  1.0 3.0
   47    42    62    63   0.15000  1.0 3.0
   47    42    62    64   0.34400  1.0 1.0
   47    42    62    64   0.09450 -1.0 2.0
   47    42    62    64   0.11100  1.0 3.0
   47    50   -57    62   2.00000 -1.0 2.0
   50    47    54    55   7.00000 -1.0 2.0
   50    47    54    56   7.00000 -1.0 2.0
   50    57   -62    42  -0.25900  1.0 1.0
   50    57   -62    42  -0.47000 -1.0 2.0
   50    57   -62    42   0.11750  1.0 3.0
   50    57    62    63   0.08050  1.0 3.0
   50    57    62    64  -0.25900  1.0 1.0
   50    57    62    64  -0.47000 -1.0 2.0
   50    57    62    64   0.11750  1.0 3.0
   51    50    57    62   3.00000 -1.0 2.0
   57    62    64    65   0.23400  1.0 3.0
   57    62    64    66   0.23400  1.0 3.0
   57    62    64    67   0.62750  1.0 1.0
   57    62    64    67  -0.30950 -1.0 2.0
   57    62    64    67   0.27300  1.0 3.0
   62    42   -47    50   0.09700  1.0 1.0
   62    42   -47    50   0.15600 -1.0 2.0
   62    42   -47    50  -0.50800  1.0 3.0
   62    42    47    54   0.09850  1.0 1.0
   62    42    47    54   0.15250 -1.0 2.0
   62    42    47    54  -0.50650  1.0 3.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    40   0.56750  1.0 1.0
   62    64    67    40  -0.07550 -1.0 2.0
   62    64    67    40   0.20000  1.0 3.0
   62    64    67    69   0.56750  1.0 1.0
   62    64    67    69  -0.07550 -1.0 2.0
   62    64    67    69   0.20000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   64    67    40    33   0.56750  1.0 1.0
   64    67    40    33  -0.07550 -1.0 2.0
   64    67    40    33   0.20000  1.0 3.0
   64    67    40    41   0.15000  1.0 3.0
   64    67    40    44   0.56750  1.0 1.0
   64    67    40    44  -0.07550 -1.0 2.0
   64    67    40    44   0.20000  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    72   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    40   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    40   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   67    40    44    45   0.15000  1.0 3.0
   67    40    44    46   0.15000  1.0 3.0
   67    40    44    48  -0.95700  1.0 1.0
   67    40    44    48  -0.18200 -1.0 2.0
   67    40    44    48   0.29450  1.0 3.0
   68    67    40    33   0.15000  1.0 3.0
   68    67    40    41   0.15000  1.0 3.0
   68    67    40    44   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33   -52    48  -0.95700  1.0 1.0
   40    33   -52    48  -0.18200 -1.0 2.0
   40    33   -52    48   0.29450  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    58   0.56750  1.0 1.0
   40    33    52    58  -0.07550 -1.0 2.0
   40    33    52    58   0.20000  1.0 3.0
   40    67    69    70   0.15000  1.0 3.0
   40    67    69    71   0.15000  1.0 3.0
   40    67    69    72   0.15000  1.0 3.0
   40    44    48    49   0.30150 -1.0 2.0
   40    44   -48    52   0.60050  1.0 1.0
   40    44   -48    52   0.05600 -1.0 2.0
   40    44   -48    52   0.26150  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48  -0.11250  1.0 3.0
   44    48   -52    33   0.60050  1.0 1.0
   44    48   -52    33   0.05600 -1.0 2.0
   44    48   -52    33   0.26150  1.0 3.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    58   0.60050  1.0 1.0
   44    48    52    58   0.05600 -1.0 2.0
   44    48    52    58   0.26150  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52   0.00000  1.0 1.0
   46    44    48    49   0.00000  1.0 1.0
   46    44    48    52   0.00000  1.0 1.0
   48    52    58    59  -0.11250  1.0 3.0
   48    52    58    60  -0.11250  1.0 3.0
   48    52    58    61  -0.11250  1.0 3.0
   49    48    52    33   0.30150 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    58   0.30150 -1.0 2.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33    37    42   0.56750  1.0 1.0
   52    33    37    42  -0.07550 -1.0 2.0
   52    33    37    42   0.20000  1.0 3.0
   52    33    40    67   0.56750  1.0 1.0
   52    33    40    67  -0.07550 -1.0 2.0
   52    33    40    67   0.20000  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33   -40    44   0.56750  1.0 1.0
   52    33   -40    44  -0.07550 -1.0 2.0
   52    33   -40    44   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   69    67    40    33   0.56750  1.0 1.0
   69    67    40    33  -0.07550 -1.0 2.0
   69    67    40    33   0.20000  1.0 3.0
   69    67    40    41   0.15000  1.0 3.0
   69    67    40    44   0.56750  1.0 1.0
   69    67    40    44  -0.07550 -1.0 2.0
   69    67    40    44   0.20000  1.0 3.0
   54    47    50    51   1.00000 -1.0 2.0
   54    47    50    57  -0.56150  1.0 1.0
   54    47    50    57   2.19150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   42    50    47    54   1.10000 -1.0 2.0
   47    57    50    51  10.50000 -1.0 2.0
   44    52    48    49  10.50000 -1.0 2.0
   55    56    54    47   1.10000 -1.0 2.0
END
