* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    123    202     365
    1     0 S   NP   _N1_     1    29.23641    93.04684   -18.92599
    2     1 S   H    _HN1     2     1.02957   107.84023    20.25580
    3     1 S   H    _H1_     3     1.02840    38.15044   115.43586
    4     1 S   H    _H2_     4     1.02784    71.64988   -83.66546
    5     1 S   CT   _CA1     5     1.50083   137.30183   173.18160
    6     5 S   HC   _HA1     6     1.09564   105.34176    25.42381
    7     5 S   CO3  _C1_     7     1.53941   112.18863   -95.04265
    8     7 S   O2Z  _O11     8     1.26378   115.07269   -47.74423
    9     7 S   O2Z  _O12     9     1.26232   114.90479   131.55703
   10     5 S   CT   _CB1    10     1.53099   107.45277   143.48362
   11    10 S   HC   HB11    11     1.09814   109.75935   -48.99442
   12    10 S   HC   HB12    12     1.09837   110.20993    67.60887
   13    10 S   CT   _CG1    13     1.53039   112.55679  -170.09232
   14    13 S   HC   HG11    14     1.09383   110.23361   -53.04975
   15    13 S   HC   HG12    15     1.09585   110.36843    65.94152
   16    13 S   C    _CD1    16     1.51716   111.64239  -173.87388
   17    16 S   O    _OE1    17     1.22775   122.80832   -24.07689
   18    16 S   N    _N2_    18     1.38567   112.06979   156.62903
   19    18 S   H    _HN2    19     1.01578   119.27833     2.41978
   20    18 S   CT1  _CA2    20     1.46224   123.23880  -175.37035
   21    20 S   HC   _HA2    21     1.09722   109.36250   -13.13015
   22    20 S   C    _C2_    22     1.53336   108.43955  -129.08598
   23    22 S   O    _O2_    23     1.23014   122.27599  -145.75654
   24    20 S   CT   _CB2    32     1.53499   111.33430   108.69964
   25    24 S   HC   HB21    33     1.09596   109.63139    57.98696
   26    24 S   HC   HB22    34     1.09502   110.42664   176.88844
   27    22 S   N    _N3_    24     1.38519   113.35027    41.60307
   28    27 S   H    _HN3    25     1.01528   118.89803    -0.55567
   29    24 S   S    _SG2    35     1.82704   111.80603   -62.75654
   30    27 S   CT   _CA3    26     1.45435   123.37049   175.12705
   31    30 S   HC   HA31    27     1.09530   109.12647    26.45654
   32    30 S   HC   HA32    28     1.09492   107.14973   143.44341
   33    29 S   CT   _C22    36     1.84422    99.40250   171.22978
   34    33 S   HC   _H3_    37     1.09402   109.64538   -23.75105
   35    30 S   CO3  _C3_    29     1.52931   113.19205   -96.94168
   36    35 S   O2Z  _O31    30     1.26396   115.44319   -43.73847
   37    35 S   O2Z  _O32    31     1.26362   114.95986   137.20349
   38    33 S   CM   _C18    38     1.50944   107.55938    91.89684
   39    38 S   HC   _H34    39     1.08901   116.64981   -74.50017
   40    38 S   CMA  _C19    40     1.34724   124.32032   105.77900
   41    40 S   OM   _O20    41     1.25885   131.26179   179.97202
   42    40 S   CM   _C16    42     1.45818   116.95707    -1.20138
   43    42 S   HC   _H32    43     1.08927   119.07070  -171.10207
   44    42 S   CM   _C17    44     1.34308   123.01898    10.05209
   45    44 S   HC   _H33    45     1.08534   117.50984   177.86393
   46    33 S   CM   _C20    46     1.53670   108.51760  -143.58001
   47    46 S   CM   _C21    47     1.36499   123.53814    82.77161
   48    47 S   CA   _C12    48     1.48642   120.40461     1.16382
   49    47 S   CA   _C13    60     1.48586   120.81750  -179.61235
   50    48 S   CA   _C4_    49     1.40319   120.25132    80.70367
   51    50 S   HA   _H24    50     1.08764   120.46774    -0.89787
   52    49 S   CA   _C6_    61     1.40271   120.25558    92.78386
   53    52 S   HA   _H26    62     1.08770   120.62342    -0.57573
   54    50 S   CA   _C8_    51     1.39562   120.38396   179.44257
   55    54 S   HA   _H28    52     1.08592   119.48834   179.49178
   56    52 S   CA   _C10    63     1.39543   120.24749   179.38071
   57    56 S   HA   _H30    64     1.08599   119.42955  -179.93439
   58    54 S   CA   _C14    53     1.39273   119.50174    -0.68643
   59    56 S   CA   _C15    65     1.39330   119.51490    -0.01978
   60    58 S   CA   _C9_    54     1.39159   120.81362    -0.21489
   61    60 S   HA   _H29    55     1.08624   120.46451  -179.17718
   62    58 S   OH   _O21    58     1.36625   121.03820   179.97202
   63    62 S   HO   _H36    59     0.97233   108.58107     0.48739
   64    59 S   CA   _C11    66     1.39243   120.86869    -0.06256
   65    64 S   HA   _H31    67     1.08616   120.49557  -179.94065
   66    59 S   OH   _O22    70     1.36653   120.99534   180.00000
   67    66 S   HO   _H37    71     0.97243   108.51137     0.49059
   68    48 S   CA   _C5_    56     1.40188   120.38855  -101.12099
   69    68 S   HA   _H25    57     1.08738   120.67414     0.92936
   70    49 S   CA   _C7_    68     1.40218   120.17614   -88.04785
   71    70 S   HA   _H27    69     1.08731   120.58568     0.62901
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1   8   4   6   3   5   3   5   2   7  14  12
  11   8   4   8   4   7   3   7   3   6   6   5   3   2   1   5
   3   2   1   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    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  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    48    49  
   38    39    40    44    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49  
   46    47  
   47    48    50    68    49    52    70  
   48    50    51    54    60    68    69    49    52    53    56    64    70    71  
   50    51    54    55    58    60    61    68    69    49    52    70  
   52    53    56    57    59    64    65    70    71    50    68  
   51    54    55    58    60    68    69    62  
   54    55    58    68  
   53    56    57    59    64    70    71    66  
   56    57    59    70  
   55    58    60    61    68    62    63  
   58    60    62  
   57    59    64    65    70    66    67  
   59    64    66  
   60    61    68    69    62    63  
   64    65    70    71    66    67  
   61    68    69    62    63  
   68    69    62  
   63    68  
    0  
   65    70    71    66    67  
   70    71    66  
   67    70  
    0  
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   317.000  1.510
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   380.000  1.444
   46    47   549.000  1.340
   47    48   320.000  1.460
   47    49   320.000  1.460
   48    50   469.000  1.400
   48    68   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    60   469.000  1.400
   58    62   450.000  1.364
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   367.000  1.080
   62    63   553.000  0.945
   49    52   469.000  1.400
   49    70   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    64   469.000  1.400
   59    66   450.000  1.364
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   367.000  1.080
   66    67   553.000  0.945
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  112.20000
   29    33    46    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  124.00000
   33    46    47    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  123.01800
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  123.01800
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  110.12100
   46    44    45    35.00000  120.00000
   46    47    48    60.00000  123.20500
   46    47    49    60.00000  123.20500
   47    48    50    60.00000  120.93500
   47    48    68    60.00000  120.93500
   47    49    52    60.00000  120.93500
   47    49    70    60.00000  120.93500
   48    50    51    35.00000  120.00000
   48    50    54    63.00000  120.00000
   48    68    60    63.00000  120.00000
   48    68    69    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    60    63.00000  120.00000
   54    58    62    70.00000  120.00000
   58    54    55    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    68    63.00000  120.00000
   58    62    63    35.00000  113.00000
   60    68    69    35.00000  120.00000
   68    48    50    63.00000  120.00000
   68    60    61    35.00000  120.00000
   62    58    60    70.00000  120.00000
   49    47    48    60.00000  122.92000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   49    70    64    63.00000  120.00000
   49    70    71    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    59    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    59    64    63.00000  120.00000
   56    59    66    70.00000  120.00000
   59    56    57    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    70    63.00000  120.00000
   59    66    67    35.00000  113.00000
   64    70    71    35.00000  120.00000
   70    49    52    63.00000  120.00000
   70    64    65    35.00000  120.00000
   66    59    64    70.00000  120.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.42700  1.0 1.0
   29    33    46    44  -0.70350 -1.0 2.0
   29    33    46    44  -0.43150  1.0 3.0
   29    33    46    47   0.42700  1.0 1.0
   29    33    46    47  -0.70350 -1.0 2.0
   29    33    46    47  -0.43150  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    48   7.00000 -1.0 2.0
   33    46    47    49   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.00000  1.0 1.0
   34    33    46    47   0.00000  1.0 1.0
   38    33    46    44  -0.28300  1.0 1.0
   38    33    46    44   0.26700 -1.0 2.0
   38    33    46    44  -0.63300  1.0 3.0
   38    33    46    47  -0.28300  1.0 1.0
   38    33    46    47   0.26700 -1.0 2.0
   38    33    46    47  -0.63300  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33  -0.18600  1.0 3.0
   42    44    46    47   0.28850  1.0 1.0
   42    44    46    47   2.61350 -1.0 2.0
   42    44    46    47   0.78400  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    48   7.00000 -1.0 2.0
   44    46    47    49   7.00000 -1.0 2.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47  -0.18600  1.0 3.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.28300  1.0 1.0
   46    33   -38    40   0.26700 -1.0 2.0
   46    33   -38    40  -0.63300  1.0 3.0
   46    47    48    50   0.15800  1.0 1.0
   46    47    48    50   1.85350 -1.0 2.0
   46    47    48    50  -0.48700  1.0 3.0
   46    47    48    68   0.15800  1.0 1.0
   46    47    48    68   1.85350 -1.0 2.0
   46    47    48    68  -0.48700  1.0 3.0
   46    47    49    52   0.15800  1.0 1.0
   46    47    49    52   1.85350 -1.0 2.0
   46    47    49    52  -0.48700  1.0 3.0
   46    47    49    70   0.15800  1.0 1.0
   46    47    49    70   1.85350 -1.0 2.0
   46    47    49    70  -0.48700  1.0 3.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    54   3.62500 -1.0 2.0
   47    48    68    60   3.62500 -1.0 2.0
   47    48    68    69   3.62500 -1.0 2.0
   47    49    52    53   3.62500 -1.0 2.0
   47    49    52    56   3.62500 -1.0 2.0
   47    49    70    64   3.62500 -1.0 2.0
   47    49    70    71   3.62500 -1.0 2.0
   48    47    49    52  -0.01750  1.0 1.0
   48    47    49    52  -0.32000 -1.0 2.0
   48    47    49    52   0.00600  1.0 3.0
   48    47    49    70  -0.01750  1.0 1.0
   48    47    49    70  -0.32000 -1.0 2.0
   48    47    49    70   0.00600  1.0 3.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    58   3.62500 -1.0 2.0
   50    48    68    60   3.62500 -1.0 2.0
   50    48    68    69   3.62500 -1.0 2.0
   50    54   -58    60   3.62500 -1.0 2.0
   50    54    58    62   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    58    60    61   3.62500 -1.0 2.0
   54    58    60    68   3.62500 -1.0 2.0
   54    58    62    63   0.84100 -1.0 2.0
   55    54    58    60   3.62500 -1.0 2.0
   55    54    58    62   3.62500 -1.0 2.0
   58    60   -68    48   3.62500 -1.0 2.0
   58    60    68    69   3.62500 -1.0 2.0
   60    58    62    63   0.84100 -1.0 2.0
   61    60    68    48   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   68    48    50    51   3.62500 -1.0 2.0
   68    48   -50    54   3.62500 -1.0 2.0
   62    58    60    61   3.62500 -1.0 2.0
   62    58    60    68   3.62500 -1.0 2.0
   49    47    48    50  -0.01750  1.0 1.0
   49    47    48    50  -0.32000 -1.0 2.0
   49    47    48    50   0.00600  1.0 3.0
   49    47    48    68  -0.01750  1.0 1.0
   49    47    48    68  -0.32000 -1.0 2.0
   49    47    48    68   0.00600  1.0 3.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    56    59   3.62500 -1.0 2.0
   52    49    70    64   3.62500 -1.0 2.0
   52    49    70    71   3.62500 -1.0 2.0
   52    56   -59    64   3.62500 -1.0 2.0
   52    56    59    66   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   56    59    64    65   3.62500 -1.0 2.0
   56    59    64    70   3.62500 -1.0 2.0
   56    59    66    67   0.84100 -1.0 2.0
   57    56    59    64   3.62500 -1.0 2.0
   57    56    59    66   3.62500 -1.0 2.0
   59    64   -70    49   3.62500 -1.0 2.0
   59    64    70    71   3.62500 -1.0 2.0
   64    59    66    67   0.84100 -1.0 2.0
   65    64    70    49   3.62500 -1.0 2.0
   65    64    70    71   3.62500 -1.0 2.0
   70    49    52    53   3.62500 -1.0 2.0
   70    49   -52    56   3.62500 -1.0 2.0
   66    59    64    65   3.62500 -1.0 2.0
   66    59    64    70   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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   33    44    46    47   1.10000 -1.0 2.0
   48    49    47    46   1.10000 -1.0 2.0
   50    68    48    47   4.00000 -1.0 2.0
   54    51    50    48   1.10000 -1.0 2.0
   58    55    54    50   1.10000 -1.0 2.0
   60    62    58    54   4.00000 -1.0 2.0
   68    61    60    58   1.10000 -1.0 2.0
   60    69    68    48   1.10000 -1.0 2.0
   52    70    49    47   4.00000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   59    57    56    52   1.10000 -1.0 2.0
   64    66    59    56   4.00000 -1.0 2.0
   70    65    64    59   1.10000 -1.0 2.0
   64    71    70    49   1.10000 -1.0 2.0
END
