* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    129    206     385
    1     0 S   NP   _N1_     1    28.97182    96.67480   -22.34736
    2     1 S   H    _HN1     2     1.02824    74.97060   -30.74222
    3     1 S   H    _H1_     3     1.02943    34.46882   129.18189
    4     1 S   H    _H2_     4     1.02805   108.16989  -135.49576
    5     1 S   CT   _CA1     5     1.50618   134.17681    74.53800
    6     5 S   HC   _HA1     6     1.09677   104.46892    93.22591
    7     5 S   CO3  _C1_     7     1.54481   110.90266   -22.42087
    8     7 S   O2Z  _O11     8     1.26010   116.80035  -123.47052
    9     7 S   O2Z  _O12     9     1.26644   113.71533    55.16588
   10     5 S   CT   _CB1    10     1.53099   106.86840  -150.55535
   11    10 S   HC   HB11    11     1.09855   110.11675   -38.94177
   12    10 S   HC   HB12    12     1.09756   110.25450    77.77999
   13    10 S   CT   _CG1    13     1.52992   112.22785  -159.24962
   14    13 S   HC   HG11    14     1.09491   111.21354   -61.08257
   15    13 S   HC   HG12    15     1.09640   109.28663    58.01242
   16    13 S   C    _CD1    16     1.51753   111.86101   178.58087
   17    16 S   O    _OE1    17     1.22815   123.06863    17.98479
   18    16 S   N    _N2_    18     1.38474   112.08220  -162.79317
   19    18 S   H    _HN2    19     1.02389   118.89229     1.96573
   20    18 S   CT1  _CA2    20     1.46167   123.57051   179.41383
   21    20 S   HC   _HA2    21     1.09746   109.19118     9.76835
   22    20 S   C    _C2_    22     1.53605   109.48304  -105.94580
   23    22 S   O    _O2_    23     1.23136   122.06944  -149.26303
   24    20 S   CT   _CB2    32     1.53375   111.08195   131.36927
   25    24 S   HC   HB21    33     1.09244   109.01291    57.57300
   26    24 S   HC   HB22    34     1.09495   110.88692   175.93630
   27    22 S   N    _N3_    24     1.38343   114.01221    38.94289
   28    27 S   H    _HN3    25     1.01544   119.58434    -5.84895
   29    24 S   S    _SG2    35     1.82970   111.10039   -64.68176
   30    27 S   CT   _CA3    26     1.45281   123.10441   176.55940
   31    30 S   HC   HA31    27     1.09562   107.81450   -56.07420
   32    30 S   HC   HA32    28     1.09558   107.60683    60.25919
   33    29 S   CT   _C6_    36     1.84699   100.61982   157.22024
   34    33 S   HC   _H4_    37     1.09870   105.34483    55.30546
   35    30 S   CO3  _C3_    29     1.52950   114.31034  -178.01841
   36    35 S   O2Z  _O31    30     1.26356   116.21120    -1.13125
   37    35 S   O2Z  _O32    31     1.26471   114.37802   178.79878
   38    33 S   CT   _C5_    38     1.55356   114.84637   -63.00191
   39    38 S   HC   _H3_    39     1.09588   107.44839    71.97420
   40    38 S   OS   _O33    40     1.44612   111.05596  -176.14496
   41    38 S   CT   _C4_    65     1.54100   116.86914   -47.90579
   42    41 S   HC   _H7_    66     1.09447   111.09132    41.34247
   43    41 S   HC   _H8_    67     1.09319   112.42161   -79.10166
   44    40 S   CO   _C9_    41     1.42314   114.14493    55.26353
   45    44 S   HC   _H6_    42     1.09553   109.67720    61.02665
   46    41 S   OS   _O37    68     1.43211   107.45601   163.18336
   47    44 S   CT   _C8_    43     1.53740   109.62639   -61.33768
   48    47 S   HC   _H5_    44     1.10032   109.38992   -56.32172
   49    46 S   PR   _P1_    69     1.62112   117.32726  -137.75573
   50    49 S   OM   _O39    70     1.64400    98.09494    71.62826
   51    49 S   OM   _O38    71     1.64056    97.73885   170.69279
   52    33 S   CT   _C7_    45     1.55392   109.24482   169.36747
   53    47 S   NE   _N8_    50     1.46074   108.50248  -172.67153
   54    53 S   H    _H13    51     1.01521   119.72481  -157.78324
   55    52 S   OH   _O35    46     1.42452   111.73643    60.84591
   56    55 S   HO   _H14    47     0.97279   107.34067   -40.34652
   57    52 S   OH   _O36    48     1.42789   110.80465   -62.35418
   58    57 S   HO   _H15    49     0.97262   107.21623    39.78303
   59    53 S   CM   _C11    52     1.38454   120.12925    39.34041
   60    59 S   CM   _C10    53     1.35970   122.75314   -12.07467
   61    60 S   NI   _N6_    54     1.38062   122.64422   177.75032
   62    44 S   NE   _N4_    63     1.45774   111.39735   178.58031
   63    62 S   H    _H9_    64     1.01341   118.88319   -36.03699
   64    61 S   CDX  _C13    55     1.30121   118.87874     1.03986
   65    64 S   N    _N5_    56     1.38023   122.12585    -0.19180
   66    65 S   H    _H10    57     1.01351   118.84432   179.90109
   67    64 S   NE   _N7_    60     1.36620   122.01101   179.80820
   68    67 S   H    _H11    61     1.01375   120.39004     0.00000
   69    67 S   H    _H12    62     1.01277   122.06369   180.00000
   70    59 S   C    _C12    58     1.48400   118.12638   166.90770
   71    70 S   O    _O34    59     1.22717   122.18143     1.31641
  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  10   5   4   3
  17   8   2   1   1  14   7  13   8   3   2  13   7   3  13   7
   2   1   1   8  10   3   3   1   1   1   9   8   9   3   1   7
   6   3   3   1   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    52    55    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    47    48    52    55    56    57    58    53    41    42    43    46  
   38    39    40    47    52    55    57    41  
   36    37  
   37  
    0  
   39    40    44    45    47    52    55    57    62    41    42    43    46    49  
   40    44    52    41    42    43    46  
   44    45    47    48    52    53    60    62    63    41    42    43    46  
   42    43    46    49    50    51    44    52  
   43    46    49  
   46    49  
   45    47    48    52    55    57    53    54    59    60    61    62    63  
   47    48    52    53    60    62    63  
   49    50    51  
   48    52    55    56    57    58    53    54    59    60    70    62    63  
   52    55    57    53    54    59    62  
   50    51  
   51  
    0  
   55    56    57    58    53    54    59    62  
   54    59    60    61    65    70    71    62    55    57  
   59    60    70  
   56    57    58  
   57  
   58  
    0  
   60    61    64    65    66    70    71    62    63  
   61    64    65    70    71    67    62    63  
   64    65    66    70    67    68    69    62    63  
   63    64    70  
    0  
   65    66    70    71    67    68    69  
   66    70    71    67    68    69  
   70    71    67  
   68    69    70  
   69  
    0  
   71  
    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   0.107500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   52   3.5000   0.0660   0.530000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   61   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   62   3.2500   0.1700  -0.494200   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   65   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   67   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   268.000  1.529
   40    44   320.000  1.380
   44    45   340.000  1.090
   44    47   250.000  1.527
   44    62   320.000  1.442
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    53   382.000  1.448
   52    55   320.000  1.410
   52    57   320.000  1.410
   55    56   553.000  0.945
   57    58   553.000  0.945
   53    54   434.000  1.010
   53    59   425.000  1.378
   59    60   549.000  1.340
   59    70   410.000  1.444
   60    61   405.000  1.380
   60    62   425.000  1.378
   61    64   650.000  1.285
   64    65   400.000  1.380
   64    67   445.000  1.380
   65    66   434.000  1.010
   65    70   490.000  1.335
   70    71   570.000  1.229
   67    68   434.000  1.010
   67    69   434.000  1.010
   62    63   434.000  1.010
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    49   325.000  1.672
   49    50   325.000  1.672
   49    51   325.000  1.672
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    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    58.35000  112.70000
   33    52    47    58.35000  112.70000
   33    52    55    50.00000  109.50000
   33    52    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    46    50.00000  109.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    47    90.00000  108.56700
   40    44    62    95.00000  112.71300
   44    47    48    45.00000  108.72000
   44    47    52    75.00000  109.43000
   44    47    53    80.00000  111.61500
   44    62    60    50.00000  121.00000
   44    62    63    50.00000  113.12000
   47    44    45    45.00000  112.01100
   47    52    55    50.00000  109.50000
   47    52    57    50.00000  109.50000
   47    53    54    35.00000  112.50000
   47    53    59    50.00000  121.00000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    55    56    55.00000  108.50000
   52    57    58    55.00000  108.50000
   57    52    55   115.00000  113.08500
   53    47    48    35.00000  109.50000
   53    47    52    80.00000  111.61500
   53    59    60    70.00000  124.03900
   53    59    70    70.00000  117.92000
   59    53    54    35.00000  114.50000
   59    60    61    70.00000  120.83400
   59    60    62    70.00000  124.03900
   59    70    65    80.00000  111.56200
   59    70    71    80.00000  125.30000
   60    61    64    70.00000  116.49400
   60    62    63    35.00000  114.50000
   61    64    65    80.00000  119.04400
   61    64    67    75.00000  124.36500
   64    65    66    45.00000  120.05200
   64    65    70    70.00000  120.51600
   64    67    68    35.00000  119.50000
   64    67    69    35.00000  119.50000
   65    70    71    80.00000  122.90000
   70    59    60    70.00000  118.70000
   70    65    66    35.00000  119.80000
   67    64    65    85.00000  111.44000
   69    67    68    35.00000  109.00000
   62    44    45    50.00000  108.16000
   62    44    47    85.00000  109.98000
   62    60    61    85.00000  113.56000
   41    38    39    37.50000  110.70000
   41    38    40    50.00000  109.50000
   41    46    49   100.00000  120.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    49    50    45.00000  102.60000
   46    49    51    45.00000  102.60000
   51    49    50    35.00000   94.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   29    33    52    57   0.56750  1.0 1.0
   29    33    52    57  -0.07550 -1.0 2.0
   29    33    52    57   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    46   0.62750  1.0 1.0
   33    38    41    46  -0.30950 -1.0 2.0
   33    38    41    46   0.27300  1.0 3.0
   33    52    55    56  -0.11600  1.0 1.0
   33    52    55    56  -0.09450 -1.0 2.0
   33    52    55    56   0.21250  1.0 3.0
   33    52    57    58  -0.11600  1.0 1.0
   33    52    57    58  -0.09450 -1.0 2.0
   33    52    57    58   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    52    47   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   34    33    52    57   0.23400  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    55   0.86500  1.0 1.0
   38    33    52    55  -0.17500 -1.0 2.0
   38    33    52    55   0.20800  1.0 3.0
   38    33    52    57   0.86500  1.0 1.0
   38    33    52    57  -0.17500 -1.0 2.0
   38    33    52    57   0.20800  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    47   0.06250  1.0 1.0
   38    40   -44    47  -0.01100 -1.0 2.0
   38    40   -44    47   0.28050  1.0 3.0
   38    40    44    62  -0.25000  1.0 1.0
   38    40    44    62  -0.75000 -1.0 2.0
   38    40    44    62   0.50000  1.0 3.0
   38    41    46    49  -2.65550  1.0 1.0
   38    41    46    49  -0.22350 -1.0 2.0
   38    41    46    49   0.24150  1.0 3.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   40    38    41    42   0.23400  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    46   1.11900  1.0 1.0
   40    38    41    46  -1.16350 -1.0 2.0
   40    38    41    46  -0.34150  1.0 3.0
   40    44    47    48   0.23400  1.0 3.0
   40    44    47    52   0.62750  1.0 1.0
   40    44    47    52  -0.30950 -1.0 2.0
   40    44    47    52   0.27300  1.0 3.0
   40    44    47    53   2.03850  1.0 1.0
   40    44    47    53  -0.40600 -1.0 2.0
   40    44    62    60   0.75000  1.0 1.0
   40    44    62    60  -0.75000 -1.0 2.0
   40    44    62    63  -1.49000  1.0 1.0
   40    44    62    63  -2.58450 -1.0 2.0
   44    47   -52    33   3.97050  1.0 1.0
   44    47    52    55   0.86500  1.0 1.0
   44    47    52    55  -0.17500 -1.0 2.0
   44    47    52    55   0.20800  1.0 3.0
   44    47    52    57   0.86500  1.0 1.0
   44    47    52    57  -0.17500 -1.0 2.0
   44    47    52    57   0.20800  1.0 3.0
   44    47    53    54   0.00000  1.0 1.0
   44    47    53    59   0.25450  1.0 1.0
   44    47    53    59  -0.61700 -1.0 2.0
   44    47    53    59  -0.23550  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   45    44    47    53   0.22950  1.0 3.0
   45    44    62    60   0.00000  1.0 1.0
   45    44    62    63   0.00000  1.0 1.0
   47    44    62    60   0.25450  1.0 1.0
   47    44    62    60  -0.61700 -1.0 2.0
   47    44    62    60  -0.23550  1.0 3.0
   47    44    62    63   0.00000  1.0 1.0
   47    52    55    56  -0.11600  1.0 1.0
   47    52    55    56  -0.09450 -1.0 2.0
   47    52    55    56   0.21250  1.0 3.0
   47    52    57    58  -0.11600  1.0 1.0
   47    52    57    58  -0.09450 -1.0 2.0
   47    52    57    58   0.21250  1.0 3.0
   47    53   -59    60  -0.54700  1.0 1.0
   47    53   -59    60   1.23000 -1.0 2.0
   47    53    59    70   1.00000 -1.0 2.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    55   0.23400  1.0 3.0
   48    47    52    57   0.23400  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    59   0.00000  1.0 1.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.62750  1.0 1.0
   52    33   -38    40  -0.30950 -1.0 2.0
   52    33   -38    40   0.27300  1.0 3.0
   52    33    38    41   0.56750  1.0 1.0
   52    33    38    41  -0.07550 -1.0 2.0
   52    33    38    41   0.20000  1.0 3.0
   52    47    53    54   0.00000  1.0 1.0
   52    47    53    59   0.25450  1.0 1.0
   52    47    53    59  -0.61700 -1.0 2.0
   52    47    53    59  -0.23550  1.0 3.0
   55    52    57    58   0.13450  1.0 1.0
   55    52    57    58  -0.58300 -1.0 2.0
   55    52    57    58   0.14300  1.0 3.0
   57    52    55    56   0.13450  1.0 1.0
   57    52    55    56  -0.58300 -1.0 2.0
   57    52    55    56   0.14300  1.0 3.0
   53    47    52    33   1.26750  1.0 1.0
   53    47    52    33  -0.00950 -1.0 2.0
   53    47    52    33   0.30600  1.0 3.0
   53    47    52    55   4.07950  1.0 1.0
   53    47    52    55  -0.26450 -1.0 2.0
   53    47    52    55  -0.12150  1.0 3.0
   53    47    52    57   4.07950  1.0 1.0
   53    47    52    57  -0.26450 -1.0 2.0
   53    47    52    57  -0.12150  1.0 3.0
   53    59    60    61   7.00000 -1.0 2.0
   53    59    60    62   7.00000 -1.0 2.0
   53    59    70    65   1.50000 -1.0 2.0
   53    59    70    71  -0.52200  1.0 1.0
   53    59    70    71   0.82950 -1.0 2.0
   54    53    59    60   1.00000 -1.0 2.0
   54    53    59    70   1.00000 -1.0 2.0
   59    60    61    64   1.00000 -1.0 2.0
   59    60   -62    44  -0.54700  1.0 1.0
   59    60   -62    44   1.23000 -1.0 2.0
   59    60    62    63   1.00000 -1.0 2.0
   60    59    70    65   0.49500  1.0 1.0
   60    59    70    65   1.31600 -1.0 2.0
   60    59    70    65  -0.02300  1.0 3.0
   60    59    70    71   1.00000 -1.0 2.0
   60    61   -64    65   6.00000 -1.0 2.0
   60    61    64    67   6.00000 -1.0 2.0
   61    60    62    44   1.00000 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    64    65    66   1.00000 -1.0 2.0
   61    64    65    70  -0.56400  1.0 1.0
   61    64    65    70   0.77500 -1.0 2.0
   61    64    65    70   0.18700  1.0 3.0
   61    64    67    68   1.50000 -1.0 2.0
   61    64    67    69   1.50000 -1.0 2.0
   64    65   -70    59   2.45000 -1.0 2.0
   64    65    70    71   2.67200 -1.0 2.0
   65    64    67    68   1.00000 -1.0 2.0
   65    64    67    69   1.00000 -1.0 2.0
   66    65    70    59   2.56700 -1.0 2.0
   66    65    70    71   2.45000 -1.0 2.0
   70    59   -60    61   7.00000 -1.0 2.0
   70    59    60    62   7.00000 -1.0 2.0
   67    64    65    66   1.00000 -1.0 2.0
   67    64    65    70  -0.56400  1.0 1.0
   67    64    65    70   0.77500 -1.0 2.0
   67    64    65    70   0.18700  1.0 3.0
   62    44    47    48   0.22950  1.0 3.0
   62    44    47    52   1.26750  1.0 1.0
   62    44    47    52  -0.00950 -1.0 2.0
   62    44    47    52   0.30600  1.0 3.0
   62    44   -47    53   2.20050  1.0 1.0
   62    44   -47    53   0.63450 -1.0 2.0
   62    44   -47    53  -0.91300  1.0 3.0
   62    60    61    64   1.00000 -1.0 2.0
   41    38    40    44   0.06250  1.0 1.0
   41    38    40    44  -0.01100 -1.0 2.0
   41    38    40    44   0.28050  1.0 3.0
   41    46    49    50   0.05050  1.0 1.0
   41    46    49    50  -1.30700 -1.0 2.0
   41    46    49    50   0.91550  1.0 3.0
   41    46    49    51   0.05050  1.0 1.0
   41    46    49    51  -1.30700 -1.0 2.0
   41    46    49    51   0.91550  1.0 3.0
   42    41    46    49   0.03000  1.0 3.0
   43    41    46    49   0.03000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   54    59    53    47   1.00000 -1.0 2.0
   53    70    59    60   1.10000 -1.0 2.0
   61    62    60    59   1.10000 -1.0 2.0
   65    67    64    61  10.50000 -1.0 2.0
   66    64    65    70   1.00000 -1.0 2.0
   59    65    70    71  10.50000 -1.0 2.0
   69    64    67    68   1.00000 -1.0 2.0
   63    60    62    44   1.00000 -1.0 2.0
END
