* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    120    191     349
    1     0 S   NP   _N1_     1    31.11508   100.33801   -23.28618
    2     1 S   H    _HN1     2     1.02851    42.69574   -51.81709
    3     1 S   H    _H1_     3     1.02758    76.66098   173.13504
    4     1 S   H    _H2_     4     1.03467   147.41798   -85.08562
    5     1 S   CT   _CA1     5     1.50025    95.85426    62.90774
    6     5 S   HC   _HA1     6     1.09568   104.87805   137.86892
    7     5 S   CO3  _C1_     7     1.53681   113.42798    17.38220
    8     7 S   O2Z  _O11     8     1.26386   115.09177   -31.27100
    9     7 S   O2Z  _O12     9     1.26255   115.00689   148.15060
   10     5 S   CT   _CB1    10     1.53072   107.47853  -103.72064
   11    10 S   HC   HB11    11     1.09558   109.50185   -40.65507
   12    10 S   HC   HB12    12     1.09827   110.44012    75.09968
   13    10 S   CT   _CG1    13     1.53148   112.74693  -163.15598
   14    13 S   HC   HG11    14     1.09537   111.03546   -94.49319
   15    13 S   HC   HG12    15     1.09414   111.02693    24.62593
   16    13 S   C    _CD1    16     1.51435   109.75353   145.04111
   17    16 S   O    _OE1    17     1.22782   121.87365    86.54272
   18    16 S   N    _N2_    18     1.38573   112.52517   -90.27625
   19    18 S   H    _HN2    19     1.01613   119.12486    -4.63388
   20    18 S   CT1  _CA2    20     1.46150   123.44200   171.92554
   21    20 S   HC   _HA2    21     1.09698   109.27714   -11.52566
   22    20 S   C    _C2_    22     1.53842   108.49474  -127.32218
   23    22 S   O    _O2_    23     1.23070   122.11021  -154.85513
   24    20 S   CT   _CB2    32     1.53280   111.97913   111.11659
   25    24 S   HC   HB21    33     1.09320   109.55209    57.64681
   26    24 S   HC   HB22    34     1.09422   110.04532   175.16390
   27    22 S   N    _N3_    24     1.38327   113.98036    31.84276
   28    27 S   H    _HN3    25     1.01450   119.18852    -1.49489
   29    24 S   S    _SG2    35     1.82925   112.56602   -64.27660
   30    27 S   CT   _CA3    26     1.45333   123.40896   178.43052
   31    30 S   HC   HA31    27     1.09546   107.22424   -71.00856
   32    30 S   HC   HA32    28     1.09558   108.23494    45.39345
   33    29 S   CA   _C20    36     1.80100    99.44208   162.63460
   34    30 S   CO3  _C3_    29     1.53040   114.34303   167.55072
   35    34 S   O2Z  _O31    30     1.26435   116.31779    -3.39292
   36    34 S   O2Z  _O32    31     1.26399   114.45200   176.70675
   37    33 S   CA   _C15    37     1.41211   119.45500  -103.11859
   38    37 S   CA   _C16    38     1.40035   121.83101  -178.78276
   39    38 S   HA   _H12    39     1.08790   120.04923   178.95545
   40    37 S   CO4  _C14    47     1.47183   122.11949    -2.85060
   41    40 S   O    _O34    48     1.22824   116.51937   -89.85642
   42    38 S   CA   _C17    40     1.39017   119.42219    -1.08462
   43    42 S   Br   Br2_    41     1.89574   118.65175  -179.17671
   44    40 S   C5B  _C7_    49     1.45784   119.77787    90.57116
   45    42 S   CA   _C18    42     1.39697   120.08677     1.36831
   46    44 S   C56B _C8_    50     1.43899   131.17945     7.05294
   47    44 S   C5A  _C6_    61     1.39033   123.56994  -173.06822
   48    33 S   CA   _C19    43     1.41125   122.69943    78.46833
   49    48 S   Br   Br1_    44     1.91353   121.83152     1.51556
   50    45 S   OH   _O35    45     1.37161   120.21941   179.25796
   51    50 S   HO   _H13    46     0.97323   108.30166    -0.02798
   52    46 S   CA   _C9_    51     1.41115   136.90769     1.01471
   53    52 S   HA   _H8_    52     1.08445   121.87368     0.42978
   54    47 S   CT   _C5_    62     1.48772   134.30206    -0.15451
   55    54 S   HC   _H6_    63     1.09522   110.22397    36.85911
   56    54 S   HC   _H7_    64     1.09636   109.67901   153.50792
   57    52 S   CA   _C10    53     1.40271   119.52868  -178.92680
   58    57 S   HA   _H9_    54     1.08729   119.39705   179.54200
   59    54 S   CT   _C4_    65     1.51991   111.57143   -85.62905
   60    59 S   HC   _H3_    66     1.09548   111.11672   -59.76781
   61    59 S   HC   _H4_    67     1.09457   110.25747  -179.56255
   62    59 S   HC   _H5_    68     1.09507   111.45730    60.44406
   63    57 S   CA   _C11    55     1.39367   121.01282    -0.36530
   64    63 S   HA   _H10    56     1.08713   119.61987   179.94405
   65    63 S   CA   _C12    57     1.39522   120.88088    -0.24787
   66    65 S   HA   _H11    58     1.08369   121.67140  -179.65850
   67    46 S   C56A _C13    59     1.39129   105.97721  -178.82131
   68    67 S   OA   _O33    60     1.35501   110.48219    -1.08751
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  12   9   4  10   3   6   3  12   4  11  11   3
   1   1   1   8   4   8   6   5   6   3   4   2   1   1   5   3
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    48    49    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    48    49    50    40    41    44  
   35    36  
   36  
    0  
   38    39    42    43    45    48    49    40    41    44    46    47  
   39    42    43    45    48    50    40    41    44  
   42    43    45    40  
   41    44    46    52    67    68    47    54    42    48  
   44    46    47  
   43    45    48    49    50    51  
   45    48    50  
   46    52    53    57    65    67    68    47    54    55    56    59  
   48    49    50    51  
   52    53    57    58    63    65    66    67    68    47    54  
   54    55    56    59    60    61    62    52    65    67    68  
   49    50    51  
   50  
   51  
    0  
   53    57    58    63    64    65    67    68  
   57    58    63    67  
   55    56    59    60    61    62    67    68  
   56    59    60    61    62    68  
   59    60    61    62    68  
   58    63    64    65    66    67  
   63    64    65  
   60    61    62    68  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67    68  
   67    68  
   68  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   44   3.5500   0.0700  -0.387700   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.122800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.149800   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    48   469.000  1.400
   37    38   469.000  1.400
   37    40   310.000  1.470
   38    39   367.000  1.080
   38    42   469.000  1.400
   42    43   300.000  1.903
   42    45   469.000  1.400
   45    48   469.000  1.400
   45    50   450.000  1.364
   48    49   300.000  1.903
   50    51   553.000  0.945
   40    41   570.000  1.229
   40    44   345.000  1.446
   44    46   380.000  1.440
   44    47   520.000  1.370
   46    52   469.000  1.404
   46    67   447.000  1.419
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   425.000  1.380
   68    47   340.000  1.360
   47    54   295.000  1.489
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    48    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    60.00000  119.52600
   33    48    45    63.00000  120.00000
   33    48    49    75.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    42    63.00000  120.00000
   37    40    41    75.00000  123.78400
   37    40    44    65.00000  116.00000
   38    42    43    75.00000  120.00000
   38    42    45    63.00000  120.00000
   42    38    39    35.00000  120.00000
   42    45    48    63.00000  120.00000
   42    45    50    70.00000  120.00000
   45    42    43    75.00000  120.00000
   45    48    49    75.00000  120.00000
   45    50    51    35.00000  113.00000
   48    33    37    63.00000  120.00000
   50    45    48    70.00000  120.00000
   40    37    38    60.00000  119.52600
   40    44    46    50.00000  130.14000
   40    44    47    60.00000  123.95000
   44    40    41    75.00000  126.12000
   44    46    52    50.00000  134.85500
   44    46    67    80.00000  107.43600
   44    47    68    70.00000  108.00000
   44    47    54    55.00000  130.44200
   46    52    53    35.00000  120.00000
   46    52    57    63.00000  120.00000
   46    67    65    85.00000  122.70000
   46    67    68   100.00000  108.43400
   52    57    58    35.00000  120.00000
   52    57    63    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    65    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    85.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    70.00000  124.10000
   67    46    52    85.00000  116.20000
   67    65    66    35.00000  120.00000
   67    68    47   110.00000  105.28000
   68    47    54    80.00000  116.10000
   47    44    46    80.00000  105.82900
   47    54    55    45.00000  110.47400
   47    54    56    45.00000  110.47400
   47    54    59    70.00000  113.44400
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.63250 -1.0 2.0
   24    29    33    48   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    48    45   3.62500 -1.0 2.0
   29    33    48    49   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    40    41   1.05000 -1.0 2.0
   33    37    40    44   0.56600 -1.0 2.0
   37    33    48    45   3.62500 -1.0 2.0
   37    33    48    49   3.62500 -1.0 2.0
   37    38    42    43   3.62500 -1.0 2.0
   37    38   -42    45   3.62500 -1.0 2.0
   37    40    44    46   0.56600 -1.0 2.0
   37    40    44    47   0.56600 -1.0 2.0
   38    37    40    41   1.05000 -1.0 2.0
   38    37    40    44   0.56600 -1.0 2.0
   38    42    45    48   3.62500 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   39    38    42    43   3.62500 -1.0 2.0
   39    38    42    45   3.62500 -1.0 2.0
   42    45   -48    33   3.62500 -1.0 2.0
   42    45    48    49   3.62500 -1.0 2.0
   42    45    50    51   0.84100 -1.0 2.0
   43    42    45    48   3.62500 -1.0 2.0
   43    42    45    50   3.62500 -1.0 2.0
   48    33   -37    38   3.62500 -1.0 2.0
   48    33    37    40   3.62500 -1.0 2.0
   48    45    50    51   0.84100 -1.0 2.0
   50    45    48    33   3.62500 -1.0 2.0
   50    45    48    49   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    42   3.62500 -1.0 2.0
   40    44    46    52   3.62500 -1.0 2.0
   40    44    46    67   3.62500 -1.0 2.0
   40    44    47    68   3.62500 -1.0 2.0
   40    44    47    54   3.62500 -1.0 2.0
   41    40    44    46   1.05000 -1.0 2.0
   41    40    44    47   1.05000 -1.0 2.0
   44    46    52    53   3.62500 -1.0 2.0
   44    46    52    57   3.62500 -1.0 2.0
   44    46    67    65   3.00000 -1.0 2.0
   44    46   -67    68   3.62500 -1.0 2.0
   44    47    54    55   0.00000  1.0 1.0
   44    47    54    56   0.00000  1.0 1.0
   44    47    54    59   0.04150 -1.0 2.0
   46    44   -47    68   3.62500 -1.0 2.0
   46    44    47    54   3.62500 -1.0 2.0
   46    52    57    58   3.62500 -1.0 2.0
   46    52    57    63   3.62500 -1.0 2.0
   46    67   -68    47   3.62500 -1.0 2.0
   52    46    67    65   3.00000 -1.0 2.0
   52    46    67    68   3.62500 -1.0 2.0
   52    57    63    64   3.62500 -1.0 2.0
   52    57   -63    65   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    63   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    67   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   63    65   -67    46   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    47   3.62500 -1.0 2.0
   66    65    67    46   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    46    52    53   3.50000 -1.0 2.0
   67    46   -52    57   3.50000 -1.0 2.0
   67    68   -47    44   3.62500 -1.0 2.0
   67    68    47    54   3.62500 -1.0 2.0
   68    47    54    55   0.00000  1.0 1.0
   68    47    54    56   0.00000  1.0 1.0
   68    47    54    59   0.38650  1.0 1.0
   68    47    54    59  -0.24750 -1.0 2.0
   68    47    54    59   0.76750  1.0 3.0
   47    44    46    52   3.62500 -1.0 2.0
   47    44   -46    67   3.50000 -1.0 2.0
   47    54    59    60   0.43200  1.0 3.0
   47    54    59    61   0.43200  1.0 3.0
   47    54    59    62   0.43200  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    48    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   45    43    42    38   4.00000 -1.0 2.0
   48    50    45    42   4.00000 -1.0 2.0
   45    49    48    33   4.00000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
   46    47    44    40   4.00000 -1.0 2.0
   52    67    46    44   4.00000 -1.0 2.0
   57    53    52    46   1.10000 -1.0 2.0
   63    58    57    52   1.10000 -1.0 2.0
   65    64    63    57   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    46   4.00000 -1.0 2.0
   68    54    47    44   4.00000 -1.0 2.0
END
