* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    125    180     359
    1     0 S   NP   _N1_     1    28.79168    98.94657   -20.03618
    2     1 S   H    _HN1     2     1.02946    61.91436   -17.97674
    3     1 S   H    _H1_     3     1.02843    51.35337   130.90586
    4     1 S   H    _H2_     4     1.02785    99.37623  -123.73322
    5     1 S   CT   _CA1     5     1.50115   148.04603    66.04232
    6     5 S   HC   _HA1     6     1.09594   105.19979   108.72531
    7     5 S   CO3  _C1_     7     1.53873   111.93746   -11.11425
    8     7 S   O2Z  _O11     8     1.26344   115.08014   -55.87719
    9     7 S   O2Z  _O12     9     1.26274   114.92135   122.89791
   10     5 S   CT   _CB1    10     1.53161   107.32736  -133.81052
   11    10 S   HC   HB11    11     1.09822   109.46990   -51.99929
   12    10 S   HC   HB12    12     1.09801   110.51924    64.65250
   13    10 S   CT   _CG1    13     1.52902   112.34143  -172.98180
   14    13 S   HC   HG11    14     1.09317   110.01145   -64.51415
   15    13 S   HC   HG12    15     1.09643   109.95557    54.58161
   16    13 S   C    _CD1    16     1.51756   112.55532   175.79136
   17    16 S   O    _OE1    17     1.22762   123.20235     8.51272
   18    16 S   N    _N2_    18     1.38605   111.84816  -171.93291
   19    18 S   H    _HN2    19     1.01567   119.03443     4.35343
   20    18 S   CT1  _CA2    20     1.45780   122.68926   177.46318
   21    20 S   HC   _HA2    21     1.09720   108.77338    29.45670
   22    20 S   C    _C2_    22     1.52983   106.84532   -87.61167
   23    22 S   O    _O2_    23     1.22984   123.04023   -28.60429
   24    20 S   CT   _CB2    32     1.53120   112.52437   152.96268
   25    24 S   HC   HB21    33     1.09529   110.32301    55.22322
   26    24 S   HC   HB22    34     1.09560   110.24191   172.73072
   27    22 S   N    _N3_    24     1.38495   112.57334   154.10686
   28    27 S   H    _HN3    25     1.01652   120.37170    -1.90639
   29    24 S   S    _SG2    35     1.82838   111.80437   -68.62260
   30    27 S   CT   _CA3    26     1.45352   122.46450   178.66265
   31    30 S   HC   HA31    27     1.09568   107.73066   -57.46928
   32    30 S   HC   HA32    28     1.09565   107.67959    58.85385
   33    29 S   CT   _C12    36     1.84412    99.94108   125.48648
   34    33 S   HC   _H3_    37     1.09525   104.82531    41.19812
   35    30 S   CO3  _C3_    29     1.52890   114.34014  -179.33736
   36    35 S   O2Z  _O31    30     1.26334   116.06892    -0.63242
   37    35 S   O2Z  _O32    31     1.26440   114.40930   179.36511
   38    33 S   CA   _C7_    38     1.51952   111.81083   -77.51110
   39    33 S   CM   _C13    58     1.51375   109.27693   157.72372
   40    39 S   HC   _H14    59     1.09091   116.34822    40.11371
   41    38 S   CA   _C6_    39     1.40655   119.26945   118.35446
   42    41 S   HA   _H8_    40     1.08680   118.15844     0.56752
   43    39 S   CMA  _C14    60     1.35629   125.70144  -139.33956
   44    43 S   OM   _O36    61     1.26733   123.94314   179.75853
   45    41 S   CA   _C5_    41     1.39701   120.94018  -179.08251
   46    43 S   OS   _O37    62     1.41537   111.37018    -2.86983
   47    45 S   CA   _C10    42     1.39934   118.66050     0.03956
   48    45 S   OS   _O33    53     1.37066   125.07230   179.19012
   49    46 S   CT   _C15    63     1.43819   116.73296   141.77873
   50    49 S   HC   _H4_    64     1.09643   111.11914    51.31482
   51    47 S   CA   _C9_    43     1.40068   121.59384    -1.65906
   52    47 S   OH   _O34    51     1.37362   118.58182   177.79904
   53    52 S   HO   _H10    52     0.97645   107.66860  -168.48262
   54    48 S   CT   _C4_    54     1.42288   116.96386     7.08967
   55    54 S   HC   _H5_    55     1.09428   107.72399   176.07394
   56    54 S   HC   _H6_    56     1.09510   111.30182    58.26966
   57    54 S   HC   _H7_    57     1.09489   111.00486   -66.31695
   58    49 S   CO3  _C18    65     1.54155   109.52899   -72.70507
   59    58 S   O2Z  _O41    66     1.26541   116.30798   -48.28168
   60    58 S   O2Z  _O40    67     1.26595   114.74104   132.92240
   61    49 S   CT   _C16    68     1.52920   107.58067   172.45964
   62    61 S   HC   _H15    69     1.09774   110.90464    46.81513
   63    61 S   HC   _H16    70     1.09710   111.06525   166.22417
   64    38 S   CA   _C8_    44     1.40638   121.60101   -62.28053
   65    64 S   HA   _H9_    45     1.08610   118.46331    -0.73355
   66    51 S   OS   _O35    46     1.36990   115.68758  -178.40701
   67    61 S   CO3  _C17    71     1.52925   110.56487   -74.05234
   68    67 S   O2Z  _O39    72     1.26428   115.08447   112.89444
   69    67 S   O2Z  _O38    73     1.26368   115.41824   -68.98965
   70    66 S   CT   _C11    47     1.42224   117.13052  -174.85486
   71    70 S   HC   _H11    48     1.09421   107.74677   177.44748
   72    70 S   HC   _H12    49     1.09512   111.20031    59.64935
   73    70 S   HC   _H13    50     1.09482   111.06256   -64.87984
  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
  13   6   2   1   1  12   7   3   9   4   6   2  11   9   9   6
  10   7   9   3   1   3   2   1   1   6   2   1   5   4   3   3
   1   4   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    64    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    64    65    39    40    43    44    46  
   38    41    64    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    51    64    65    66    48    39    40    43  
   40    43    44    46    49    41    64  
   43    44    46  
   42    45    47    51    64    65    52    48    54  
   45    47    64    48  
   44    46    49    50    58    61  
   46    49  
   47    51    64    66    52    53    48    54    55    56    57  
   49    50    58    59    60    61    62    63    67  
   51    64    65    66    70    52    53    48    54  
   54    55    56    57    51    52  
   50    58    59    60    61    62    63    67    68    69  
   58    59    60    61    62    63    67  
   64    65    66    70    71    72    73    52    53  
   53    64    66  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    67  
   60    61  
   61  
   62    63    67    68    69  
   63    67    68    69  
   67    68    69  
   65    66    70  
   66  
   70    71    72    73  
   68    69  
   69  
    0  
   71    72    73  
   72    73  
   73  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.220000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   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   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    64   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    51   469.000  1.400
   47    52   450.000  1.364
   51    64   469.000  1.400
   51    66   450.000  1.364
   64    65   367.000  1.080
   66    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   52    53   553.000  0.945
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   440.000  1.360
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    58   317.000  1.522
   49    61   268.000  1.529
   58    59   656.000  1.250
   58    60   656.000  1.250
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   317.000  1.522
   67    68   656.000  1.250
   67    69   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    64    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    64    51    63.00000  120.00000
   38    64    65    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    51    63.00000  120.00000
   45    47    52    70.00000  120.00000
   45    48    54    75.00000  111.00000
   47    51    64    63.00000  120.00000
   47    51    66    70.00000  120.00000
   47    52    53    35.00000  113.00000
   51    64    65    35.00000  120.00000
   51    66    70    75.00000  111.00000
   64    38    41    63.00000  120.00000
   66    51    64    70.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   52    47    51    70.00000  120.00000
   48    45    47    70.00000  120.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    46    49    90.00000  111.18400
   46    43    44    65.00000  121.00000
   46    49    50    35.00000  109.50000
   46    49    58    85.00000  109.63000
   46    49    61    50.00000  109.50000
   49    58    59    70.00000  117.00000
   49    58    60    70.00000  117.00000
   49    61    62    37.50000  110.70000
   49    61    63    37.50000  110.70000
   49    61    67    70.00000  109.69300
   58    49    50    35.00000  109.50000
   60    58    59    80.00000  126.00000
   61    49    50    37.50000  110.70000
   61    49    58    70.00000  109.69300
   61    67    68    70.00000  117.00000
   61    67    69    70.00000  117.00000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   69    67    68    80.00000  126.00000
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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    64  -0.16000  1.0 1.0
   29    33    38    64  -0.03200 -1.0 2.0
   29    33    38    64   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    64    51   3.62500 -1.0 2.0
   33    38    64    65   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    64   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    64    51   3.62500 -1.0 2.0
   41    38    64    65   3.62500 -1.0 2.0
   41    45   -47    51   3.62500 -1.0 2.0
   41    45    47    52   3.62500 -1.0 2.0
   41    45    48    54   1.63200 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    51    64   3.62500 -1.0 2.0
   45    47    51    66   3.62500 -1.0 2.0
   45    47    52    53   0.84100 -1.0 2.0
   45    48    54    55   0.08050  1.0 3.0
   45    48    54    56   0.08050  1.0 3.0
   45    48    54    57   0.08050  1.0 3.0
   47    45    48    54   1.63200 -1.0 2.0
   47    51   -64    38   3.62500 -1.0 2.0
   47    51    64    65   3.62500 -1.0 2.0
   47    51    66    70   1.63200 -1.0 2.0
   51    47    52    53   0.84100 -1.0 2.0
   51    66    70    71   0.08050  1.0 3.0
   51    66    70    72   0.08050  1.0 3.0
   51    66    70    73   0.08050  1.0 3.0
   64    38    41    42   3.62500 -1.0 2.0
   64    38   -41    45   3.62500 -1.0 2.0
   64    51    66    70   1.63200 -1.0 2.0
   66    51    64    38   3.62500 -1.0 2.0
   66    51    64    65   3.62500 -1.0 2.0
   52    47    51    64   3.62500 -1.0 2.0
   52    47    51    66   3.62500 -1.0 2.0
   48    45    47    51   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    64   0.18050 -1.0 2.0
   39    43    46    49  -2.26850  1.0 1.0
   39    43    46    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    49    50   0.08050  1.0 3.0
   43    46    49    58  -0.48150  1.0 1.0
   43    46    49    58   0.09250 -1.0 2.0
   43    46    49    58  -0.12850  1.0 3.0
   43    46    49    61  -0.46850  1.0 1.0
   43    46    49    61   0.09300 -1.0 2.0
   43    46    49    61  -0.12850  1.0 3.0
   44    43    46    49   2.00000 -1.0 2.0
   46    49    58    59   0.30150 -1.0 2.0
   46    49    58    60   0.30150 -1.0 2.0
   46    49    61    62   0.23400  1.0 3.0
   46    49    61    63   0.23400  1.0 3.0
   46    49    61    67  -3.35100  1.0 1.0
   46    49    61    67  -0.37050 -1.0 2.0
   46    49    61    67   0.22400  1.0 3.0
   49    61    67    68   0.41150 -1.0 2.0
   49    61    67    69   0.41150 -1.0 2.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    60   0.00000  1.0 1.0
   50    49    61    62   0.15000  1.0 3.0
   50    49    61    63   0.15000  1.0 3.0
   50    49    61    67  -0.11250  1.0 3.0
   58    49    61    62  -0.11250  1.0 3.0
   58    49    61    63  -0.11250  1.0 3.0
   58    49    61    67  -0.30950  1.0 1.0
   58    49    61    67   1.11150 -1.0 2.0
   58    49    61    67   0.40350  1.0 3.0
   61    49    58    59   0.41150 -1.0 2.0
   61    49    58    60   0.41150 -1.0 2.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    69   0.00000  1.0 1.0
   63    61    67    68   0.00000  1.0 1.0
   63    61    67    69   0.00000  1.0 1.0
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
   41    64    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   51    52    47    45   4.00000 -1.0 2.0
   64    66    51    47   4.00000 -1.0 2.0
   51    65    64    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    46    43    39  15.00000 -1.0 2.0
   59    49    58    60  10.50000 -1.0 2.0
   68    61    67    69  10.50000 -1.0 2.0
END
