* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    125    183     357
    1     0 S   NP   _N1_     1    28.86860    97.62370   -22.62342
    2     1 S   H    _HN1     2     1.02950    67.36252    23.79069
    3     1 S   H    _H1_     3     1.02829    47.29670   168.66759
    4     1 S   H    _H2_     4     1.02784    96.85312   -83.27526
    5     1 S   CT   _CA1     5     1.50104   149.18063   116.00939
    6     5 S   HC   _HA1     6     1.09572   105.21661    97.89900
    7     5 S   CO3  _C1_     7     1.53803   112.43427   -22.37531
    8     7 S   O2Z  _O11     8     1.26372   115.01620   -43.30868
    9     7 S   O2Z  _O12     9     1.26240   114.94119   135.87377
   10     5 S   CT   _CB1    10     1.53088   107.43329  -144.10603
   11    10 S   HC   HB11    11     1.09830   109.42349   -49.72057
   12    10 S   HC   HB12    12     1.09813   110.42337    66.89707
   13    10 S   CT   _CG1    13     1.52987   112.58520  -170.70225
   14    13 S   HC   HG11    14     1.09586   110.59296   -64.35358
   15    13 S   HC   HG12    15     1.09665   109.83315    54.87327
   16    13 S   C    _CD1    16     1.51796   112.27715   175.35051
   17    16 S   O    _OE1    17     1.22727   123.30934     4.68199
   18    16 S   N    _N2_    18     1.38656   111.63963  -175.48790
   19    18 S   H    _HN2    19     1.01589   118.94079     2.03721
   20    18 S   CT1  _CA2    20     1.46194   123.38825   178.28959
   21    20 S   HC   _HA2    21     1.09735   109.35458     0.48133
   22    20 S   C    _C2_    22     1.53507   108.63418  -115.02207
   23    22 S   O    _O2_    23     1.23052   122.27199  -148.26219
   24    20 S   CT   _CB2    32     1.53316   111.55044   122.43592
   25    24 S   HC   HB21    33     1.09582   110.08164    56.53553
   26    24 S   HC   HB22    34     1.09511   110.24055   175.63758
   27    22 S   N    _N3_    24     1.38329   113.67280    39.20367
   28    27 S   H    _HN3    25     1.01599   119.57286    -3.42977
   29    24 S   S    _SG2    35     1.82578   111.60219   -64.41563
   30    27 S   CT   _CA3    26     1.45290   123.18982   177.08107
   31    30 S   HC   HA31    27     1.09551   107.51829   -64.31760
   32    30 S   HC   HA32    28     1.09558   107.97160    52.11520
   33    29 S   CT   _C19    36     1.82807    98.85617   178.22811
   34    33 S   F    F1__    37     1.36505   108.55628   -55.78672
   35    33 S   F    F2__    38     1.36491   108.51454    57.86637
   36    30 S   CO3  _C3_    29     1.52956   114.08966   174.10375
   37    36 S   O2Z  _O31    30     1.26375   116.06268    -0.68700
   38    36 S   O2Z  _O32    31     1.26428   114.41389   179.37224
   39    33 S   CA   _C17    39     1.50363   110.43925  -178.91881
   40    39 S   CA   _C16    40     1.39771   121.59855   -89.43492
   41    40 S   HA   _H14    41     1.08790   119.82772    -0.76361
   42    40 S   CA   _C15    42     1.39349   119.98094   179.13883
   43    42 S   Cl   Cl1_    43     1.72172   119.39914   179.89347
   44    42 S   CA   _C14    44     1.39014   118.38978    -0.48376
   45    44 S   NB   _N4_    45     1.35584   123.11234     1.15012
   46    44 S   OS   _O36    48     1.39260   117.62300   178.78630
   47    39 S   CA   _C18    46     1.39072   121.24152    89.69315
   48    47 S   HA   _H15    47     1.08645   121.19377     0.68414
   49    46 S   CA   _C11    49     1.37383   116.60028   160.78120
   50    49 S   CA   _C10    50     1.39229   118.19080   118.22280
   51    50 S   HA   _H11    51     1.08610   120.60698    -2.26278
   52    50 S   CA   _C9_    52     1.39516   119.48933   178.04235
   53    52 S   HA   _H10    53     1.08752   119.23081   179.50742
   54    52 S   CA   _C8_    54     1.40068   120.70176    -0.52190
   55    54 S   CA   _C13    55     1.39764   119.30785    -0.88514
   56    55 S   HA   _H13    56     1.08500   122.13945  -178.37876
   57    54 S   OS   _O35    59     1.36943   114.61548  -179.78878
   58    49 S   CA   _C12    57     1.39600   121.28415   -65.76887
   59    58 S   HA   _H12    58     1.08657   120.61243     1.85530
   60    57 S   CT   _C5_    60     1.42586   118.71106  -171.80027
   61    60 S   HC   _H3_    61     1.09629   111.06577    39.13247
   62    60 S   CO4  _C6_    62     1.52277   110.99848   -84.03001
   63    62 S   O    _O33    63     1.22400   124.85667    -7.82890
   64    60 S   CT   _C4_    69     1.52583   106.61400   157.27067
   65    64 S   HC   _H4_    70     1.09619   110.93966    61.07292
   66    64 S   HC   _H5_    71     1.09451   111.68934  -178.25976
   67    64 S   HC   _H6_    72     1.09539   110.48046   -57.29759
   68    62 S   OS   _O34    64     1.36591   109.55229   171.51154
   69    68 S   CT   _C7_    65     1.43055   115.22731  -179.56121
   70    69 S   HC   _H7_    66     1.09328   108.10524  -179.89532
   71    69 S   HC   _H8_    67     1.09423   110.28133    61.42225
   72    69 S   HC   _H9_    68     1.09422   110.29514   -61.20473
  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   6   5   4   3
   9   4   3   2   1   1   8   8   4   6   3   7   4   8   1   1
   9   8   4   7   3   9   5   3  10   1   1   9   7  10   3   4
   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48  
   41    42    43    44    45    47    48    46  
   42    43    44    47  
   43    44    45    47    46    49  
   44    45    46  
   45    47    48    46    49    50    58  
   47    48    46    49  
   49    50    51    52    55    58    59    47  
   48  
    0  
   50    51    52    53    54    55    56    58    59  
   51    52    53    54    55    58    59    57  
   52    53    54    58  
   53    54    55    56    58    57    60  
   54    55    57  
   55    56    58    59    57    60    61    62    64  
   56    58    59    57    60  
   58    59    57  
   60    61    62    63    68    64    65    66    67    58  
   59  
    0  
   61    62    63    68    69    64    65    66    67  
   62    63    68    64    65    66    67  
   63    68    69    70    71    72    64    65    66    67  
   68    69    64  
   65    66    67    68  
   66    67  
   67  
    0  
   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  -0.175000   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   3.2500   0.0620   0.362500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.407000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.112000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5500   0.0700   0.571600   2.5000   1.7750   0.001000000  -0.843144165
   45   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   46   2.9000   0.1400  -0.171600   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   300.000  1.725
   42    44   469.000  1.400
   44    45   483.000  1.339
   44    46   450.000  1.364
   45    47   483.000  1.339
   47    48   367.000  1.080
   46    49   450.000  1.364
   49    50   469.000  1.400
   49    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   57    60   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.522
   60    64   268.000  1.529
   62    63   570.000  1.229
   62    68   214.000  1.327
   68    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    45    70.00000  124.00000
   39    47    48    35.00000  120.00000
   40    42    43    75.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    70.00000  124.00000
   42    44    46    70.00000  120.00000
   44    42    43    75.00000  120.00000
   44    45    47    70.00000  117.00000
   44    46    49    85.00000  114.70000
   45    47    48    35.00000  116.00000
   47    39    40    63.00000  120.00000
   46    44    45    95.00000  115.10700
   46    49    50    70.00000  120.00000
   46    49    58    70.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    58    55    63.00000  120.00000
   49    58    59    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    57    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   58    49    50    63.00000  120.00000
   58    55    56    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    62    90.00000  108.74100
   57    60    64    50.00000  109.50000
   60    62    63    80.00000  120.40000
   60    62    68    81.00000  111.40000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    35.00000  109.50000
   62    68    69    83.00000  116.90000
   68    62    63    83.00000  123.40000
   68    69    70    35.00000  109.50000
   68    69    71    35.00000  109.50000
   68    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    63.00000  111.10000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    45   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    45   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    46    49   0.47150 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -47    39   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    46    49    50   0.47150 -1.0 2.0
   44    46    49    58   0.47150 -1.0 2.0
   45    44    46    49   1.50000 -1.0 2.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    49    50    51   3.62500 -1.0 2.0
   46    49    50    52   3.62500 -1.0 2.0
   46    49    58    55   3.62500 -1.0 2.0
   46    49    58    59   3.62500 -1.0 2.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    54   3.62500 -1.0 2.0
   50    49    58    55   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    52   -54    55   3.62500 -1.0 2.0
   50    52    54    57   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54    55    58   3.62500 -1.0 2.0
   52    54    57    60   1.63200 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   54    55   -58    49   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    57    60    61   0.08050  1.0 3.0
   54    57    60    62  -0.25600  1.0 1.0
   54    57    60    62  -0.40050 -1.0 2.0
   54    57    60    62   0.34700  1.0 3.0
   54    57    60    64  -0.32850  1.0 1.0
   54    57    60    64  -0.35800 -1.0 2.0
   54    57    60    64   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   56    55    58    49   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   58    49    50    51   3.62500 -1.0 2.0
   58    49   -50    52   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60    62    63   0.30150 -1.0 2.0
   57    60    62    68   0.40000  1.0 3.0
   57    60    64    65   0.23400  1.0 3.0
   57    60    64    66   0.23400  1.0 3.0
   57    60    64    67   0.23400  1.0 3.0
   60    62    68    69   1.63150  1.0 1.0
   60    62    68    69   2.92000 -1.0 2.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    68   0.00000  1.0 1.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    65  -0.11250  1.0 3.0
   62    60    64    66  -0.11250  1.0 3.0
   62    60    64    67  -0.11250  1.0 3.0
   62    68    69    70   0.08050  1.0 3.0
   62    68    69    71   0.08050  1.0 3.0
   62    68    69    72   0.08050  1.0 3.0
   63    62    68    69   3.00000 -1.0 2.0
   64    60    62    63   0.30150 -1.0 2.0
   64    60    62    68   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   4.00000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   45    48    47    39   1.10000 -1.0 2.0
   50    58    49    46   4.00000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    57    54    52   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   55    59    58    49   1.10000 -1.0 2.0
   60    68    62    63  10.50000 -1.0 2.0
END
