* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    149    239     425
    1     0 S   NP   _N1_     1    28.89368    94.30273   -19.97232
    2     1 S   H    _HN1     2     1.02832    28.81493   158.43521
    3     1 S   H    _H1_     3     1.02771    86.96016   -64.08178
    4     1 S   H    _H2_     4     1.02969    96.14633    44.09197
    5     1 S   CT   _CA1     5     1.50192   138.73833   174.81843
    6     5 S   HC   _HA1     6     1.09574   105.15566    50.71173
    7     5 S   CO3  _C1_     7     1.53789   112.51328   -69.22331
    8     7 S   O2Z  _O11     8     1.26361   115.01852   -36.71858
    9     7 S   O2Z  _O12     9     1.26239   114.98530   142.50901
   10     5 S   CT   _CB1    10     1.53120   107.34417   168.57506
   11    10 S   HC   HB11    11     1.09811   109.14303   -49.71185
   12    10 S   HC   HB12    12     1.09822   110.39056    66.73854
   13    10 S   CT   _CG1    13     1.53037   112.93055  -170.96323
   14    13 S   HC   HG11    14     1.09534   110.28805   -64.79422
   15    13 S   HC   HG12    15     1.09634   110.18980    54.34056
   16    13 S   C    _CD1    16     1.51860   112.22225   174.20208
   17    16 S   O    _OE1    17     1.22733   123.12126   -14.20060
   18    16 S   N    _N2_    18     1.38588   111.81522   166.85214
   19    18 S   H    _HN2    19     1.01619   118.93406    -0.18238
   20    18 S   CT1  _CA2    20     1.46347   123.53742  -179.48149
   21    20 S   HC   _HA2    21     1.09739   109.23491   -20.10093
   22    20 S   C    _C2_    22     1.53425   108.00203  -135.67660
   23    22 S   O    _O2_    23     1.22996   122.35144  -144.95189
   24    20 S   CT   _CB2    32     1.53561   111.47805   102.27605
   25    24 S   HC   HB21    33     1.09449   109.34140    51.87067
   26    24 S   HC   HB22    34     1.09488   110.75970   170.80004
   27    22 S   N    _N3_    24     1.38541   113.24275    42.37304
   28    27 S   H    _HN3    25     1.01537   118.92043    -0.47888
   29    24 S   S    _SG2    35     1.82754   111.60477   -69.76459
   30    27 S   CT   _CA3    26     1.45452   123.41462   175.08985
   31    30 S   HC   HA31    27     1.09526   109.17914    25.17036
   32    30 S   HC   HA32    28     1.09493   107.12362   142.18108
   33    29 S   CT   _C15    36     1.81002   100.52516   167.19599
   34    33 S   HC   _H3_    37     1.10383    99.70965    57.80691
   35    30 S   CO3  _C3_    29     1.52941   113.20931   -98.25917
   36    35 S   O2Z  _O31    30     1.26397   115.46444   -42.54225
   37    35 S   O2Z  _O32    31     1.26364   114.94108   138.40289
   38    33 S   CT   _C7_    38     1.52812   119.03135   168.20365
   39    38 S   HC   _H25    39     1.10031   106.62222   -77.17220
   40    38 S   CO4  _C4_    40     1.51730    99.93417   173.20546
   41    40 S   O    _O16    41     1.22194   125.54442   168.80481
   42    38 S   C3T  _C11    62     1.50608   126.29946    47.58291
   43    42 S   HC   _H29    63     1.08879   109.15623   174.13793
   44    40 S   OS   _O18    42     1.37052   110.56698   -10.44751
   45    71 S   O3T  _O20    64     1.43216   116.23163   163.64922
   46    33 S   CT   _C12    43     1.53068   123.54064   -54.75310
   47    46 S   HC   _H30    44     1.09633   109.80112    68.79617
   48    46 S   CT   _C9_    45     1.54962   123.52603   -63.77172
   49    48 S   HC   _H27    46     1.09070   105.69967   -63.85047
   50    48 S   CT   _C8_    47     1.54073   109.72197   178.76838
   51    50 S   HC   _H26    48     1.09564   111.55995    12.53931
   52    50 S   CO4  _C5_    49     1.50319   103.53067  -103.49409
   53    52 S   O    _O17    50     1.22177   125.27046   168.74163
   54    50 S   CT   _C17    70     1.52172   113.91518   136.80251
   55    54 S   HC   _H34    71     1.09356   112.28664    61.25649
   56    54 S   HC   _H35    72     1.09465   110.76455   -60.11938
   57    54 S   HC   _H36    73     1.09567   110.41384  -179.53945
   58    52 S   OS   _O19    51     1.36084   110.51266   -12.06023
   59    48 S   CT   _C10    52     1.52740   116.76882    62.17718
   60    59 S   HC   _H28    53     1.08636   112.00919   -19.33411
   61    59 S   CT   _C6_    54     1.54656   114.99176  -143.41974
   62    61 S   HC   _H23    55     1.09615   108.41054   169.49410
   63    61 S   HC   _H24    56     1.09607   110.31554   -76.56227
   64    61 S   C3T  _C16    57     1.50410   112.39379    47.35585
   65    64 S   C3T  _C14    58     1.52284   115.07757    48.37167
   66    65 S   HC   _H32    59     1.07915   118.88676    11.71312
   67    64 S   CT   _C18    66     1.50160   117.54123  -108.73473
   68    67 S   HC   _H37    67     1.09517   112.04882  -170.95415
   69    67 S   HC   _H38    68     1.09221   111.68310    68.32611
   70    67 S   HC   _H39    69     1.09517   110.14377   -51.70651
   71    65 S   C3T  _C13    60     1.50246   121.39782  -142.24048
   72    71 S   HC   _H31    61     1.08879   113.94955   -58.71498
   73    64 S   O3T  _O21    65     1.43385   118.40571   113.97723
  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
  16   8   2   1   1  13   8   9   3  10   4   6   6  11   4  16
   8  11   8   9   3   5   2   1   1   6   8   4  11   5   4   9
   8   4   5   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    48    49    50    59    71    42    43    45  
   38    39    40    44    46    47    48    42  
   36    37  
   37  
    0  
   39    40    41    44    46    47    48    65    71    72    42    43    45  
   40    41    44    46    71    42    43    45  
   41    44    46    47    48    71    42    43    45  
   44    46    42  
   43    45    73    44    46    64    65    66    71    72  
   45    65    71    72  
   46    47    48    49    50    59  
   73    64    65    66    71    72  
   47    48    49    50    51    52    58    59    60    61    54  
   48    49    50    59  
   49    50    51    52    53    58    59    60    61    62    63    64    54    55    56    57  
   50    51    52    58    59    60    61    54  
   51    52    53    58    59    60    61    54    55    56    57  
   52    53    58    59    54    55    56    57  
   53    58    59    60    61    54    55    56    57  
   58    59    54  
   55    56    57    58    59  
   56    57  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62    63    64    65    73    67  
   61    62    63    64  
   62    63    64    65    66    71    73    67    68    69    70  
   63    64    65    73    67  
   64    65    73    67  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    73    67  
   68    69    70    71    73  
   69    70    73  
   70    73  
   73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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    46   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   275.000  1.510
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    59   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   275.000  1.510
   64    65   260.000  1.509
   64    73   335.000  1.432
   64    67   275.000  1.510
   65    66   340.000  1.088
   65    71   260.000  1.509
   65    73   335.000  1.432
   71    72   340.000  1.088
   71    42   260.000  1.509
   71    45   335.000  1.432
   42    43   340.000  1.088
   42    45   335.000  1.432
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    70.00000  112.37300
   33    46    44    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    81.00000  111.40000
   38    42    71    60.00000  120.94000
   38    42    43    40.00000  115.04500
   38    42    45    80.00000  116.47100
   40    38    39    35.00000  109.50000
   40    44    46    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    46    47    35.00000  109.50000
   44    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    59    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    63.00000  111.10000
   48    50    54    58.35000  112.70000
   48    59    58    50.00000  109.50000
   48    59    60    37.50000  110.70000
   48    59    61    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    53    80.00000  120.40000
   50    52    58    81.00000  111.40000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    48    49    37.50000  110.70000
   59    48    50    58.35000  112.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    70.00000  112.37300
   61    59    60    37.50000  110.70000
   61    64    65    60.00000  120.94000
   61    64    73    80.00000  116.47100
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    45.00000  109.38400
   64    61    63    45.00000  109.38400
   64    65    66    37.50000  117.20000
   64    65    71    60.00000  120.94000
   64    65    73    15.00000   60.43100
   64    73    65    15.00000   59.14900
   64    67    68    45.00000  109.38400
   64    67    69    45.00000  109.38400
   64    67    70    45.00000  109.38400
   65    71    72    37.50000  117.20000
   65    71    42    60.00000  120.94000
   65    71    45    80.00000  116.47100
   71    65    66    37.50000  117.20000
   71    42    43    37.50000  117.20000
   71    42    45    15.00000   60.43100
   71    45    42    15.00000   59.14900
   42    38    39    45.00000  109.38400
   42    38    40    63.00000  111.10000
   42    71    72    37.50000  117.20000
   45    71    72    50.00000  114.27700
   45    71    42    15.00000   60.43100
   45    42    43    50.00000  114.27700
   73    64    65    15.00000   60.43100
   73    65    66    50.00000  114.27700
   73    65    71    80.00000  116.47100
   67    64    65    60.00000  120.94000
   67    64    73    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    44   0.36750  1.0 3.0
   33    38    42    71   0.07850  1.0 1.0
   33    38    42    71  -0.03950 -1.0 2.0
   33    38    42    71   0.67350  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    45   0.02550  1.0 1.0
   33    38    42    45  -0.02600 -1.0 2.0
   33    38    42    45   1.20400  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.56750  1.0 1.0
   33    46    48    50  -0.07550 -1.0 2.0
   33    46    48    50   0.20000  1.0 3.0
   33    46    48    59   0.56750  1.0 1.0
   33    46    48    59  -0.07550 -1.0 2.0
   33    46    48    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    46    44   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    44   0.62750  1.0 1.0
   38    33   -46    44  -0.30950 -1.0 2.0
   38    33   -46    44   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    40   -44    46   1.63150  1.0 1.0
   38    40   -44    46   2.92000 -1.0 2.0
   38    42   -45    71   0.06250  1.0 1.0
   38    42   -45    71  -0.01100 -1.0 2.0
   38    42   -45    71   0.28050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    71   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    45   0.23400  1.0 3.0
   40    38    42    71  -0.95700  1.0 1.0
   40    38    42    71  -0.18200 -1.0 2.0
   40    38    42    71   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    45  -0.09450  1.0 1.0
   40    38    42    45  -1.12950 -1.0 2.0
   40    38    42    45   0.54000  1.0 3.0
   40    44   -46    33  -0.25900  1.0 1.0
   40    44   -46    33  -0.47000 -1.0 2.0
   40    44   -46    33   0.11750  1.0 3.0
   40    44    46    47   0.08050  1.0 3.0
   40    44    46    48  -0.25900  1.0 1.0
   40    44    46    48  -0.47000 -1.0 2.0
   40    44    46    48   0.11750  1.0 3.0
   41    40    44    46   3.00000 -1.0 2.0
   44    46    48    49   0.23400  1.0 3.0
   44    46    48    50   0.62750  1.0 1.0
   44    46    48    50  -0.30950 -1.0 2.0
   44    46    48    50   0.27300  1.0 3.0
   44    46    48    59   0.62750  1.0 1.0
   44    46    48    59  -0.30950 -1.0 2.0
   44    46    48    59   0.27300  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40  -0.95700  1.0 1.0
   46    33   -38    40  -0.18200 -1.0 2.0
   46    33   -38    40   0.29450  1.0 3.0
   46    33    38    42   0.47050  1.0 1.0
   46    33    38    42   0.03900 -1.0 2.0
   46    33    38    42   0.20100  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52  -0.95700  1.0 1.0
   46    48    50    52  -0.18200 -1.0 2.0
   46    48    50    52   0.29450  1.0 3.0
   46    48    50    54   0.56750  1.0 1.0
   46    48    50    54  -0.07550 -1.0 2.0
   46    48    50    54   0.20000  1.0 3.0
   46    48    59    58   0.62750  1.0 1.0
   46    48    59    58  -0.30950 -1.0 2.0
   46    48    59    58   0.27300  1.0 3.0
   46    48    59    60   0.15000  1.0 3.0
   46    48    59    61   0.56750  1.0 1.0
   46    48    59    61  -0.07550 -1.0 2.0
   46    48    59    61   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    59   0.15000  1.0 3.0
   48    50    52    53   0.30150 -1.0 2.0
   48    50   -52    58   0.36750  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   48    59    61    62   0.15000  1.0 3.0
   48    59    61    63   0.15000  1.0 3.0
   48    59    61    64   0.47050  1.0 1.0
   48    59    61    64   0.03900 -1.0 2.0
   48    59    61    64   0.20100  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52  -0.11250  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    59    58   0.23400  1.0 3.0
   49    48    59    60   0.15000  1.0 3.0
   49    48    59    61   0.15000  1.0 3.0
   50    48   -59    58   0.62750  1.0 1.0
   50    48   -59    58  -0.30950 -1.0 2.0
   50    48   -59    58   0.27300  1.0 3.0
   50    48    59    60   0.15000  1.0 3.0
   50    48    59    61   0.56750  1.0 1.0
   50    48    59    61  -0.07550 -1.0 2.0
   50    48    59    61   0.20000  1.0 3.0
   50    52   -58    59   1.63150  1.0 1.0
   50    52   -58    59   2.92000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    58   0.00000  1.0 1.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    50    54    57  -0.11250  1.0 3.0
   52    58   -59    48  -0.25900  1.0 1.0
   52    58   -59    48  -0.47000 -1.0 2.0
   52    58   -59    48   0.11750  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58    59    61  -0.25900  1.0 1.0
   52    58    59    61  -0.47000 -1.0 2.0
   52    58    59    61   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.23400  1.0 3.0
   58    59    61    64  -0.26800  1.0 1.0
   58    59    61    64   0.69150 -1.0 2.0
   58    59    61    64  -0.48750  1.0 3.0
   59    48    50    51   0.15000  1.0 3.0
   59    48   -50    52  -0.95700  1.0 1.0
   59    48   -50    52  -0.18200 -1.0 2.0
   59    48   -50    52   0.29450  1.0 3.0
   59    48    50    54   0.56750  1.0 1.0
   59    48    50    54  -0.07550 -1.0 2.0
   59    48    50    54   0.20000  1.0 3.0
   59    61    64    65   0.07850  1.0 1.0
   59    61    64    65  -0.03950 -1.0 2.0
   59    61    64    65   0.67350  1.0 3.0
   59    61    64    73   0.02550  1.0 1.0
   59    61    64    73  -0.02600 -1.0 2.0
   59    61    64    73   1.20400  1.0 3.0
   59    61    64    67   0.56750  1.0 1.0
   59    61    64    67  -0.07550 -1.0 2.0
   59    61    64    67   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   61    64    65    66   0.15000  1.0 3.0
   61    64    65    71   0.07850  1.0 1.0
   61    64    65    71  -0.03950 -1.0 2.0
   61    64    65    71   0.67350  1.0 3.0
   61    64   -65    73   0.02550  1.0 1.0
   61    64   -65    73  -0.02600 -1.0 2.0
   61    64   -65    73   1.20400  1.0 3.0
   61    64   -73    65   0.06250  1.0 1.0
   61    64   -73    65  -0.01100 -1.0 2.0
   61    64   -73    65   0.28050  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    73   0.23400  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    73   0.23400  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    65    71    72   0.15000  1.0 3.0
   64    65    71    42   0.07850  1.0 1.0
   64    65    71    42  -0.03950 -1.0 2.0
   64    65    71    42   0.67350  1.0 3.0
   64    65    71    45   0.02550  1.0 1.0
   64    65    71    45  -0.02600 -1.0 2.0
   64    65    71    45   1.20400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71    42    38   0.07850  1.0 1.0
   65    71    42    38  -0.03950 -1.0 2.0
   65    71    42    38   0.67350  1.0 3.0
   65    71    42    43   0.15000  1.0 3.0
   65    71   -42    45   0.02550  1.0 1.0
   65    71   -42    45  -0.02600 -1.0 2.0
   65    71   -42    45   1.20400  1.0 3.0
   65    71   -45    42   0.06250  1.0 1.0
   65    71   -45    42  -0.01100 -1.0 2.0
   65    71   -45    42   0.28050  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    42   0.15000  1.0 3.0
   66    65    71    45   0.23400  1.0 3.0
   66    65   -73    64   0.36800  1.0 3.0
   71    65   -73    64   0.06250  1.0 1.0
   71    65   -73    64  -0.01100 -1.0 2.0
   71    65   -73    64   0.28050  1.0 3.0
   72    71    42    38   0.15000  1.0 3.0
   72    71    42    43   0.15000  1.0 3.0
   72    71   -42    45   0.23400  1.0 3.0
   72    71   -45    42   0.36800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.36750  1.0 3.0
   43    42   -45    71   0.36800  1.0 3.0
   45    71   -42    38   0.02550  1.0 1.0
   45    71   -42    38  -0.02600 -1.0 2.0
   45    71   -42    38   1.20400  1.0 3.0
   45    71   -42    43   0.23400  1.0 3.0
   73    64   -65    66   0.23400  1.0 3.0
   73    64   -65    71   0.02550  1.0 1.0
   73    64   -65    71  -0.02600 -1.0 2.0
   73    64   -65    71   1.20400  1.0 3.0
   73    64    67    68   0.23400  1.0 3.0
   73    64    67    69   0.23400  1.0 3.0
   73    64    67    70   0.23400  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    42   0.02550  1.0 1.0
   73    65    71    42  -0.02600 -1.0 2.0
   73    65    71    42   1.20400  1.0 3.0
   73    65    71    45   1.11900  1.0 1.0
   73    65    71    45  -1.16350 -1.0 2.0
   73    65    71    45  -0.34150  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.07850  1.0 1.0
   67    64    65    71  -0.03950 -1.0 2.0
   67    64    65    71   0.67350  1.0 3.0
   67    64   -65    73   0.02550  1.0 1.0
   67    64   -65    73  -0.02600 -1.0 2.0
   67    64   -65    73   1.20400  1.0 3.0
   67    64   -73    65   0.06250  1.0 1.0
   67    64   -73    65  -0.01100 -1.0 2.0
   67    64   -73    65   0.28050  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    58   0.36750  1.0 3.0
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    44    40    41  10.50000 -1.0 2.0
   50    58    52    53  10.50000 -1.0 2.0
END
