* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    201     396
    1     0 S   NP   _N1_     1    28.56751    97.12415   -22.38853
    2     1 S   H    _HN1     2     1.02786    98.29009   -88.15903
    3     1 S   H    _H1_     3     1.02950    68.33043    18.38350
    4     1 S   H    _H2_     4     1.02828    45.49137   164.85803
    5     1 S   CT   _CA1     5     1.50111   147.33883   112.70398
    6     5 S   HC   _HA1     6     1.09573   105.19637    96.26312
    7     5 S   CO3  _C1_     7     1.53790   112.46965   -23.97634
    8     7 S   O2Z  _O11     8     1.26372   115.00846   -42.37704
    9     7 S   O2Z  _O12     9     1.26241   114.94833   136.77053
   10     5 S   CT   _CB1    10     1.53081   107.42280  -145.74569
   11    10 S   HC   HB11    11     1.09833   109.37927   -49.67183
   12    10 S   HC   HB12    12     1.09813   110.44362    66.93988
   13    10 S   CT   _CG1    13     1.52990   112.60327  -170.64697
   14    13 S   HC   HG11    14     1.09581   110.63071   -65.57304
   15    13 S   HC   HG12    15     1.09671   109.78578    53.65703
   16    13 S   C    _CD1    16     1.51800   112.23256   174.11730
   17    16 S   O    _OE1    17     1.22729   123.29157     6.90967
   18    16 S   N    _N2_    18     1.38659   111.67011  -173.19911
   19    18 S   H    _HN2    19     1.01579   118.92631     1.80168
   20    18 S   CT1  _CA2    20     1.46197   123.38803   177.43631
   21    20 S   HC   _HA2    21     1.09736   109.36967     2.78699
   22    20 S   C    _C2_    22     1.53559   108.58697  -112.69380
   23    22 S   O    _O2_    23     1.23058   122.27358  -147.72900
   24    20 S   CT   _CB2    32     1.53361   111.60609   124.82113
   25    24 S   HC   HB21    33     1.09584   110.07665    56.20364
   26    24 S   HC   HB22    34     1.09435   109.95509   175.28985
   27    22 S   N    _N3_    24     1.38327   113.71137    39.69687
   28    27 S   H    _HN3    25     1.01585   119.59759    -3.26818
   29    24 S   S    _SG2    35     1.82771   111.52833   -64.80492
   30    27 S   CT   _CA3    26     1.45288   123.21603   177.15208
   31    30 S   HC   HA31    27     1.09550   107.50588   -64.70314
   32    30 S   HC   HA32    28     1.09558   107.99022    51.73764
   33    29 S   CT   _C17    36     1.83122    99.81210   171.04830
   34    33 S   HC   _H3_    37     1.09666   108.30202   -49.79138
   35    30 S   CO3  _C3_    29     1.52964   114.07717   173.73947
   36    35 S   O2Z  _O31    30     1.26376   116.06964    -0.62776
   37    35 S   O2Z  _O32    31     1.26427   114.41363   179.43179
   38    33 S   CT   _C14    38     1.52055   111.58635    71.85610
   39    38 S   HC   _H29    39     1.09776   111.22196    52.88817
   40    38 S   HC   _H30    40     1.09612   110.20565   -66.34666
   41    38 S   C    _C10    41     1.52002   113.89435   173.22874
   42    41 S   O    _O19    42     1.23322   119.11153   145.24120
   43    41 S   N    _N18    43     1.40712   116.23908   -38.31507
   44    43 S   CT   _C16    44     1.46407   119.25542    31.30773
   45    44 S   HC   _H33    45     1.09647   109.55236  -162.88903
   46    44 S   HC   _H34    46     1.09757   106.75553    81.53569
   47    43 S   C    _C13    50     1.41099   123.69392  -164.13290
   48    47 S   O    _O20    51     1.23093   124.02316  -147.74730
   49    33 S   CT   _C15    47     1.52250   108.84980  -168.19299
   50    49 S   HC   _H31    48     1.09674   111.18803    57.92740
   51    49 S   HC   _H32    49     1.09804   110.92540   -61.71031
   52    47 S   CM   _C12    52     1.49251   115.36211    32.63966
   53    52 S   HC   _H28    53     1.08402   118.13644    19.36712
   54    52 S   CM   _C11    54     1.34111   119.95032  -162.97110
   55    54 S   HC   _H27    55     1.08752   120.58377     0.03956
   56    54 S   CA   _C6_    56     1.47301   123.86125  -179.01087
   57    56 S   CA   _C4_    57     1.40451   118.47427   146.40106
   58    57 S   HA   _H25    58     1.08694   118.43574    -1.37487
   59    57 S   CA   _C7_    59     1.39772   120.79636   178.82897
   60    59 S   CA   _C9_    60     1.40330   118.80103     0.23323
   61    59 S   OS   _O21    74     1.37096   125.12336  -179.61948
   62    60 S   CA   _C8_    61     1.40342   121.39546    -2.30444
   63    60 S   OS   _O23    69     1.37716   119.23677  -178.45161
   64    61 S   CT   _C18    75     1.42217   117.26876    -0.12820
   65    64 S   HC   _H36    76     1.09428   107.73899   179.96574
   66    64 S   HC   _H37    77     1.09496   111.14841    62.24616
   67    64 S   HC   _H38    78     1.09496   111.13308   -62.31867
   68    56 S   CA   _C5_    62     1.40479   122.08820   -36.64183
   69    68 S   HA   _H26    63     1.08630   118.79663     0.37062
   70    62 S   OS   _O22    64     1.37111   116.06001  -177.38581
   71    63 S   CT   _C20    70     1.42839   110.05944   -92.00161
   72    71 S   HC   _H42    71     1.09406   107.78133   179.93439
   73    71 S   HC   _H43    72     1.09543   111.32869    61.66180
   74    71 S   HC   _H44    73     1.09541   111.33027   -61.79257
   75    70 S   CT   _C19    65     1.42226   117.28205  -179.60386
   76    75 S   HC   _H39    66     1.09428   107.73641   179.48986
   77    75 S   HC   _H40    67     1.09500   111.15897    61.76753
   78    75 S   HC   _H41    68     1.09494   111.12586   -62.80292
  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
  13   8   2   1   1  10   5   4   9   3  11   8   5   4   7   3
   2   1   1   6   3   8   3   9   9   4  11  12   6   9   6   3
   2   1   1   3   1   4   3   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    49    50    51  
   38    39    40    41    44    49    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    49    50    51    47  
   40    41    42    43    49  
   41    42    43    49  
   42    43    44    45    46    49    47    48    52  
   43    44    47  
   44    45    46    49    50    51    47    48    52    53    54  
   45    46    49    50    51    47    48    52  
   46    49    50    51    47  
   49    50    51    47  
   48    52    53    54    55    56    49  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    57    68  
   54    55    56  
   55    56    57    58    59    62    68    69  
   56    57    68  
   57    58    59    60    62    68    69    70    61  
   58    59    60    62    68    69    63    61    64  
   59    60    68    61  
   60    62    68    70    63    71    61    64    65    66    67  
   62    68    69    70    75    63    71    72    73    74    61    64  
   64    65    66    67    62    63  
   68    69    70    75    76    77    78    63    71  
   71    72    73    74    68    70  
   65    66    67  
   66    67  
   67  
    0  
   69    70    75  
   70  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.2500   0.1700  -0.315000   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   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   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   490.000  1.335
   43    44   337.000  1.449
   43    47   490.000  1.335
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   47    48   570.000  1.229
   47    52   410.000  1.444
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   320.000  1.460
   56    57   469.000  1.400
   56    68   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    68   469.000  1.400
   62    70   450.000  1.364
   68    69   367.000  1.080
   70    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   61    64   320.000  1.410
   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    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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    49    44    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    51    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.60000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    50.00000  121.90000
   41    43    47    70.00000  121.37400
   43    41    42    80.00000  122.90000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    49    70.00000  110.72300
   43    47    48    80.00000  122.90000
   43    47    52    80.00000  111.56200
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   46    44    45    33.00000  107.80000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   51    49    50    33.00000  107.80000
   47    43    44    50.00000  121.90000
   47    52    53    35.00000  119.70000
   47    52    54    70.00000  118.70000
   52    47    48    80.00000  125.30000
   52    54    55    35.00000  120.00000
   52    54    56    60.00000  123.20500
   54    52    53    35.00000  120.00000
   54    56    57    60.00000  120.93500
   54    56    68    60.00000  120.93500
   56    54    55    40.00000  117.26300
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    68    62    63.00000  120.00000
   56    68    69    35.00000  120.00000
   57    59    60    63.00000  120.00000
   57    59    61    70.00000  120.00000
   59    57    58    35.00000  120.00000
   59    60    62    63.00000  120.00000
   59    60    63    70.00000  120.00000
   59    61    64    75.00000  111.00000
   60    62    68    63.00000  120.00000
   60    62    70    70.00000  120.00000
   60    63    71    75.00000  111.00000
   62    68    69    35.00000  120.00000
   62    70    75    75.00000  111.00000
   68    56    57    63.00000  120.00000
   70    62    68    70.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   63    60    62    70.00000  120.00000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   61    59    60    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   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    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   1.39750  1.0 1.0
   33    38    41    43  -0.07950 -1.0 2.0
   33    38    41    43  -0.18750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    51   0.15000  1.0 3.0
   38    33    49    44   0.56750  1.0 1.0
   38    33    49    44  -0.07550 -1.0 2.0
   38    33    49    44   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51   0.15000  1.0 3.0
   38    41   -43    44   1.49850  1.0 1.0
   38    41   -43    44   1.53950 -1.0 2.0
   38    41    43    47   2.45000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45   0.00000  1.0 1.0
   41    43    44    46   0.00000  1.0 1.0
   41    43    44    49  -0.43950  1.0 1.0
   41    43    44    49  -0.08100 -1.0 2.0
   41    43    44    49   0.03350  1.0 3.0
   41    43    47    48   2.22250 -1.0 2.0
   41    43    47    52   2.45000 -1.0 2.0
   42    41    43    44   3.04450 -1.0 2.0
   42    41    43    47   2.22250 -1.0 2.0
   43    44   -49    33   0.43900  1.0 1.0
   43    44   -49    33   0.49100 -1.0 2.0
   43    44   -49    33   0.28400  1.0 3.0
   43    44    49    50   0.15000  1.0 3.0
   43    44    49    51   0.15000  1.0 3.0
   43    47    52    53   0.65100 -1.0 2.0
   43    47    52    54   0.49500  1.0 1.0
   43    47    52    54   1.31600 -1.0 2.0
   43    47    52    54  -0.02300  1.0 3.0
   44    43    47    48   3.04450 -1.0 2.0
   44    43    47    52   1.49850  1.0 1.0
   44    43    47    52   1.53950 -1.0 2.0
   45    44    49    33   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   46    44    49    33   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41  -0.95700  1.0 1.0
   49    33   -38    41  -0.18200 -1.0 2.0
   49    33   -38    41   0.29450  1.0 3.0
   47    43    44    45   0.00000  1.0 1.0
   47    43    44    46   0.00000  1.0 1.0
   47    43    44    49  -0.43950  1.0 1.0
   47    43    44    49  -0.08100 -1.0 2.0
   47    43    44    49   0.03350  1.0 3.0
   47    52    54    55   7.00000 -1.0 2.0
   47    52    54    56   7.00000 -1.0 2.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   1.00000 -1.0 2.0
   52    54    56    57   0.15800  1.0 1.0
   52    54    56    57   1.85350 -1.0 2.0
   52    54    56    57  -0.48700  1.0 3.0
   52    54    56    68   0.15800  1.0 1.0
   52    54    56    68   1.85350 -1.0 2.0
   52    54    56    68  -0.48700  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56    57    59   3.62500 -1.0 2.0
   54    56    68    62   3.62500 -1.0 2.0
   54    56    68    69   3.62500 -1.0 2.0
   55    54    56    57   0.56550  1.0 3.0
   55    54    56    68   0.56550  1.0 3.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   57    56    68    62   3.62500 -1.0 2.0
   57    56    68    69   3.62500 -1.0 2.0
   57    59   -60    62   3.62500 -1.0 2.0
   57    59    60    63   3.62500 -1.0 2.0
   57    59    61    64   1.63200 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    60    62    68   3.62500 -1.0 2.0
   59    60    62    70   3.62500 -1.0 2.0
   59    60    63    71   1.63200 -1.0 2.0
   59    61    64    65   0.08050  1.0 3.0
   59    61    64    66   0.08050  1.0 3.0
   59    61    64    67   0.08050  1.0 3.0
   60    59    61    64   1.63200 -1.0 2.0
   60    62   -68    56   3.62500 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    70    75   1.63200 -1.0 2.0
   60    63    71    72   0.08050  1.0 3.0
   60    63    71    73   0.08050  1.0 3.0
   60    63    71    74   0.08050  1.0 3.0
   62    60    63    71   1.63200 -1.0 2.0
   62    70    75    76   0.08050  1.0 3.0
   62    70    75    77   0.08050  1.0 3.0
   62    70    75    78   0.08050  1.0 3.0
   68    56    57    58   3.62500 -1.0 2.0
   68    56   -57    59   3.62500 -1.0 2.0
   68    62    70    75   1.63200 -1.0 2.0
   70    62    68    56   3.62500 -1.0 2.0
   70    62    68    69   3.62500 -1.0 2.0
   63    60    62    68   3.62500 -1.0 2.0
   63    60    62    70   3.62500 -1.0 2.0
   61    59    60    62   3.62500 -1.0 2.0
   61    59    60    63   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   44    41    43    47   1.00000 -1.0 2.0
   43    52    47    48  10.50000 -1.0 2.0
   47    53    52    54  15.00000 -1.0 2.0
   56    55    54    52  15.00000 -1.0 2.0
   57    68    56    54   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   60    61    59    57   4.00000 -1.0 2.0
   62    63    60    59   4.00000 -1.0 2.0
   68    70    62    60   4.00000 -1.0 2.0
   62    69    68    56   1.10000 -1.0 2.0
END
