* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    139    233     419
    1     0 S   NP   _N1_     1    29.45107    93.50359   -17.63502
    2     1 S   H    _HN1     2     1.02754    75.80667   -31.29842
    3     1 S   H    _H1_     3     1.03181   133.04206    70.31878
    4     1 S   H    _H2_     4     1.02929    35.69437   122.17783
    5     1 S   CT   _CA1     5     1.50362   109.57380  -140.34023
    6     5 S   HC   _HA1     6     1.09677   104.71761    24.59083
    7     5 S   CO3  _C1_     7     1.54536   110.94094   -91.55276
    8     7 S   O2Z  _O11     8     1.26092   116.71955  -118.44189
    9     7 S   O2Z  _O12     9     1.26570   113.74513    60.57864
   10     5 S   CT   _CB1    10     1.53022   107.17204   140.79607
   11    10 S   HC   HB11    11     1.09838   110.29550   -42.73215
   12    10 S   HC   HB12    12     1.09638   110.00361    73.45871
   13    10 S   CT   _CG1    13     1.53072   112.31472  -163.11090
   14    13 S   HC   HG11    14     1.09521   111.94087   -47.25426
   15    13 S   HC   HG12    15     1.09605   110.34399    71.54989
   16    13 S   C    _CD1    16     1.51354   110.41766  -168.33411
   17    16 S   O    _OE1    17     1.22798   121.91096   -99.47806
   18    16 S   N    _N2_    18     1.38364   112.55403    79.29427
   19    18 S   H    _HN2    19     1.01651   118.87781     5.82645
   20    18 S   CT1  _CA2    20     1.45779   123.12616   179.74977
   21    20 S   HC   _HA2    21     1.09726   108.98526    21.49920
   22    20 S   C    _C2_    22     1.52869   107.22091   -95.74536
   23    22 S   O    _O2_    23     1.22942   122.92905   -27.27536
   24    20 S   CT   _CB2    32     1.53304   111.89512   144.59328
   25    24 S   HC   HB21    33     1.09408   109.71406    54.90433
   26    24 S   HC   HB22    34     1.09495   110.04885   173.53001
   27    22 S   N    _N3_    24     1.38628   112.36234   155.72084
   28    27 S   H    _HN3    25     1.01496   119.71169     0.73222
   29    24 S   S    _SG2    35     1.82843   110.64637   -67.05883
   30    27 S   CT   _CA3    26     1.45443   122.80626   174.98839
   31    30 S   HC   HA31    27     1.09541   108.90804    31.01432
   32    30 S   HC   HA32    28     1.09478   107.16502   148.16167
   33    29 S   CT   _C20    36     1.86567   102.14939   163.35792
   34    30 S   CO3  _C3_    29     1.53085   113.71739   -91.90200
   35    34 S   O2Z  _O31    30     1.26368   115.91577   -28.33351
   36    34 S   O2Z  _O32    31     1.26428   114.61785   152.54061
   37    33 S   CM   _C14    37     1.51540   106.04879   166.37679
   38    37 S   HC   _H30    38     1.09247   115.27052   -59.58060
   39    33 S   CT   _C18    63     1.54276   111.37444   -71.35814
   40    39 S   HC   _H33    64     1.09689   112.14177    35.43952
   41    39 S   HC   _H34    65     1.10131   108.66444   149.16437
   42    33 S   CT   _C22    72     1.53936   109.39367    50.26802
   43    42 S   HC   _H36    73     1.09535   112.08726   -70.12119
   44    42 S   HC   _H37    74     1.09762   110.75642   171.14539
   45    42 S   HC   _H38    75     1.09684   112.16612    51.82640
   46    37 S   CMA  _C16    39     1.35255   127.56871   122.53530
   47    46 S   OM   _O20    40     1.26267   127.55048   176.96075
   48    46 S   CT   _C19    41     1.55287   118.55576    -1.02698
   49    48 S   HC   _H35    42     1.10313   106.65627    90.12059
   50    48 S   CA   _C11    43     1.53534   116.59019  -152.03919
   51    50 S   CA   _C7_    44     1.40655   118.46085   -85.56467
   52    51 S   HA   _H29    45     1.09050   118.46792     0.25869
   53    50 S   CA   _C10    56     1.39944   122.86934    95.18715
   54    51 S   CA   _C8_    46     1.40220   122.27694   179.71401
   55    53 S   CO4  _C15    57     1.48966   119.03219     1.40305
   56    55 S   O    _O21    58     1.23031   120.60358  -172.00024
   57    54 S   CA   _C5_    47     1.40556   119.45428  -179.55194
   58    57 S   HA   _H27    48     1.08874   120.41502     0.00000
   59    55 S   CT   _C17    59     1.51046   119.41072     5.95134
   60    59 S   HC   _H31    60     1.09533   106.93807   140.33862
   61    59 S   HC   _H32    61     1.09220   105.52111  -104.07124
   62    57 S   CA   _C4_    49     1.39184   121.18861   179.91844
   63    62 S   HA   _H26    50     1.08597   120.07869  -179.96044
   64    48 S   CT   _C21    62     1.54662   112.18297   -26.29008
   65    62 S   CA   _C6_    51     1.38682   119.69217    -0.02798
   66    65 S   HA   _H28    52     1.08626   119.28519  -179.96574
   67    64 S   OH   _O24    66     1.44056   108.68361   167.36202
   68    67 S   HO   _H41    67     0.97313   108.01001   179.40620
   69    65 S   CA   _C12    53     1.39864   119.70717     0.01978
   70    54 S   CA   _C9_    54     1.41433   120.06408     0.36904
   71    69 S   OH   _O22    70     1.37314   117.87621  -179.96574
   72    71 S   HO   _H39    71     0.97166   109.21063     0.14402
   73    70 S   CA   _C13    55     1.42689   117.29971     0.22985
   74    73 S   OH   _O23    68     1.37583   117.11946   179.27991
   75    74 S   HO   _H40    69     0.97184   109.49216   178.16709
  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  12   5   4   3
  15   2   1   1  14   5  17   6   5   5   2   1   1   9   4  14
   6  13  11   4  12  10   9   5   8   4   6   3   2   6   3   2
   6   3   1   1   5   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    64    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    59    64    39    40    41    67    42    43    44    45  
   35    36  
   36  
    0  
   38    46    47    48    49    50    64    39    40    41    42    43    44    45  
   46    47    48    39    42  
   40    41    67    68    42    43    44    45    46    48    49    50    55    59    60    61    64  
   41    67    42    48    59    64  
   67    42    48    59    64  
   43    44    45    46    64  
   44    45  
   45  
    0  
   47    48    49    50    51    53    59    64    67  
   48    49    50    64  
   49    50    51    52    54    73    53    55    59    60    61    64    67    68  
   50    51    53    59    64    67  
   51    52    54    57    70    73    53    55    56    59    64    67    74  
   52    54    57    58    62    69    70    73    53    55    64  
   54    57    70    53  
   55    56    59    60    61    64    74    75    54    69    70    73  
   57    58    62    63    65    69    70    73    74    71  
   56    59    60    61    64    67    74    70    73  
   59    60    61    64    73  
   58    62    63    65    66    69    70    73  
   62    63    65    70  
   60    61    64    67    68    73  
   61    64    67  
   64    67  
   63    65    66    69    70    71  
   65    66    69  
   67    68  
   66    69    70    73    71    72  
   69    70    71  
   68  
    0  
   70    73    74    71    72  
   73    74    75    71    72  
   72    73  
    0  
   74    75  
   75  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    48   270.000  1.512
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    64   268.000  1.529
   50    51   469.000  1.400
   50    53   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    57   469.000  1.400
   54    70   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    73   469.000  1.400
   73    53   469.000  1.400
   73    74   450.000  1.364
   53    55   310.000  1.470
   55    56   570.000  1.229
   55    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    39   268.000  1.529
   64    67   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   67    68   553.000  0.945
   74    75   553.000  0.945
   71    72   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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   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    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    65.00000  137.10300
   37    46    48    65.00000  122.18000
   46    37    38    40.00000  120.50800
   46    48    49    45.00000  110.52000
   46    48    50    70.00000  112.99600
   46    48    64    70.00000  112.02700
   48    46    47    85.00000  112.85300
   48    50    51    70.00000  120.00000
   48    50    53    70.00000  120.00000
   48    64    59    58.35000  112.70000
   48    64    39    58.35000  112.70000
   48    64    67    50.00000  109.50000
   50    48    49    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    54    63.00000  120.00000
   50    53    73    63.00000  120.00000
   50    53    55    60.00000  119.52600
   51    54    57    63.00000  120.00000
   51    54    70    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    62    63.00000  120.00000
   54    70    69    63.00000  120.00000
   54    70    73    63.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    65    63.00000  120.00000
   62    57    58    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    69    63.00000  120.00000
   65    62    63    35.00000  120.00000
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    71    72    35.00000  113.00000
   70    54    57    63.00000  120.00000
   70    73    53    63.00000  120.00000
   70    73    74    70.00000  120.00000
   73    53    55    60.00000  119.52600
   73    74    75    35.00000  113.00000
   53    50    51    63.00000  120.00000
   53    55    56    75.00000  123.78400
   53    55    59    65.00000  115.47100
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    64    63.00000  111.10000
   59    55    56    80.00000  120.40000
   59    64    39    58.35000  112.70000
   59    64    67    50.00000  109.50000
   61    59    60    33.00000  107.80000
   64    48    49    37.50000  110.70000
   64    48    50    70.00000  112.17500
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    39    40    37.50000  110.70000
   64    39    41    37.50000  110.70000
   64    67    68    55.00000  108.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   67    64    39    50.00000  109.50000
   74    73    53    70.00000  120.00000
   71    69    70    70.00000  120.00000
   42    33    37    70.00000  112.02700
   42    33    39    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    48   7.00000 -1.0 2.0
   37    33    39    64   0.34400  1.0 1.0
   37    33    39    64   0.09450 -1.0 2.0
   37    33    39    64   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.00000  1.0 1.0
   37    46    48    50   1.44450  1.0 1.0
   37    46    48    50   0.06600 -1.0 2.0
   37    46    48    50   0.29250  1.0 3.0
   37    46   -48    64   0.09850  1.0 1.0
   37    46   -48    64   0.15250 -1.0 2.0
   37    46   -48    64  -0.50650  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    48   7.00000 -1.0 2.0
   46    48    50    51   0.18050 -1.0 2.0
   46    48    50    53   0.18050 -1.0 2.0
   46    48    64    59   0.34400  1.0 1.0
   46    48    64    59   0.09450 -1.0 2.0
   46    48    64    59   0.11100  1.0 3.0
   46    48    64    39   0.34400  1.0 1.0
   46    48    64    39   0.09450 -1.0 2.0
   46    48    64    39   0.11100  1.0 3.0
   46    48    64    67   1.05650  1.0 1.0
   46    48    64    67   0.15600 -1.0 2.0
   46    48    64    67   0.53150  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.09700  1.0 1.0
   47    46    48    50   0.15600 -1.0 2.0
   47    46    48    50  -0.50800  1.0 3.0
   47    46    48    64   0.09700  1.0 1.0
   47    46    48    64   0.15600 -1.0 2.0
   47    46    48    64  -0.50800  1.0 3.0
   48    50    51    52   3.62500 -1.0 2.0
   48    50    51    54   3.62500 -1.0 2.0
   48    50    53    73   3.62500 -1.0 2.0
   48    50    53    55   3.62500 -1.0 2.0
   48    64   -39    33   0.56750  1.0 1.0
   48    64   -39    33  -0.07550 -1.0 2.0
   48    64   -39    33   0.20000  1.0 3.0
   48    64    39    40   0.15000  1.0 3.0
   48    64    39    41   0.15000  1.0 3.0
   48    64    67    68  -0.11600  1.0 1.0
   48    64    67    68  -0.09450 -1.0 2.0
   48    64    67    68   0.21250  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    53   0.00000  1.0 1.0
   49    48    64    59   0.15000  1.0 3.0
   49    48    64    39   0.15000  1.0 3.0
   49    48    64    67   0.23400  1.0 3.0
   50    48    64    59  -0.03700  1.0 1.0
   50    48    64    59   0.37200 -1.0 2.0
   50    48    64    59  -0.47300  1.0 3.0
   50    48    64    39  -0.03700  1.0 1.0
   50    48    64    39   0.37200 -1.0 2.0
   50    48    64    39  -0.47300  1.0 3.0
   50    48    64    67   1.13150  1.0 1.0
   50    48    64    67  -1.01400 -1.0 2.0
   50    51    54    57   3.62500 -1.0 2.0
   50    51    54    70   3.62500 -1.0 2.0
   50    53    55    56   1.05000 -1.0 2.0
   50    53   -55    59   2.26350  1.0 1.0
   50    53   -55    59   0.76750 -1.0 2.0
   50    53   -55    59   0.22500  1.0 3.0
   51    50    53    73   3.62500 -1.0 2.0
   51    50    53    55   3.62500 -1.0 2.0
   51    54    57    58   3.62500 -1.0 2.0
   51    54    57    62   3.62500 -1.0 2.0
   51    54    70    69   3.62500 -1.0 2.0
   51    54   -70    73   3.62500 -1.0 2.0
   52    51    54    57   3.62500 -1.0 2.0
   52    51    54    70   3.62500 -1.0 2.0
   54    57    62    63   3.62500 -1.0 2.0
   54    57    62    65   3.62500 -1.0 2.0
   54    70    73    53   3.62500 -1.0 2.0
   54    70    73    74   3.62500 -1.0 2.0
   57    54    70    69   3.62500 -1.0 2.0
   57    54    70    73   3.62500 -1.0 2.0
   57    62    65    66   3.62500 -1.0 2.0
   57    62   -65    69   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    65   3.62500 -1.0 2.0
   62    65    69    70   3.62500 -1.0 2.0
   62    65    69    71   3.62500 -1.0 2.0
   63    62    65    66   3.62500 -1.0 2.0
   63    62    65    69   3.62500 -1.0 2.0
   65    69   -70    54   3.62500 -1.0 2.0
   65    69    70    73   3.62500 -1.0 2.0
   65    69    71    72   0.84100 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    73    53   3.62500 -1.0 2.0
   69    70    73    74   3.62500 -1.0 2.0
   70    54    57    58   3.62500 -1.0 2.0
   70    54   -57    62   3.62500 -1.0 2.0
   70    69    71    72   0.84100 -1.0 2.0
   70    73   -53    50   3.62500 -1.0 2.0
   70    73    53    55   3.62500 -1.0 2.0
   70    73    74    75   0.84100 -1.0 2.0
   73    53    55    56   1.05000 -1.0 2.0
   73    53    55    59   2.26350  1.0 1.0
   73    53    55    59   0.76750 -1.0 2.0
   73    53    55    59   0.22500  1.0 3.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50   -51    54   3.62500 -1.0 2.0
   53    73    74    75   0.84100 -1.0 2.0
   53    55    59    60   0.00000  1.0 1.0
   53    55    59    61   0.00000  1.0 1.0
   53    55    59    64   0.05850 -1.0 2.0
   53    55    59    64   0.17250  1.0 3.0
   55    59   -64    48  -0.95700  1.0 1.0
   55    59   -64    48  -0.18200 -1.0 2.0
   55    59   -64    48   0.29450  1.0 3.0
   55    59    64    39  -0.95700  1.0 1.0
   55    59    64    39  -0.18200 -1.0 2.0
   55    59    64    39   0.29450  1.0 3.0
   55    59    64    67  -0.09450  1.0 1.0
   55    59    64    67  -1.12950 -1.0 2.0
   55    59    64    67   0.54000  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    64   0.30150 -1.0 2.0
   59    64    39    33   0.56750  1.0 1.0
   59    64    39    33  -0.07550 -1.0 2.0
   59    64    39    33   0.20000  1.0 3.0
   59    64    39    40   0.15000  1.0 3.0
   59    64    39    41   0.15000  1.0 3.0
   59    64    67    68  -0.11600  1.0 1.0
   59    64    67    68  -0.09450 -1.0 2.0
   59    64    67    68   0.21250  1.0 3.0
   60    59    64    48   0.15000  1.0 3.0
   60    59    64    39   0.15000  1.0 3.0
   60    59    64    67   0.23400  1.0 3.0
   61    59    64    48   0.15000  1.0 3.0
   61    59    64    39   0.15000  1.0 3.0
   61    59    64    67   0.23400  1.0 3.0
   64    48    50    51   0.04150 -1.0 2.0
   64    48   -50    53   0.04150 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    46   0.09850  1.0 1.0
   39    33   -37    46   0.15250 -1.0 2.0
   39    33   -37    46  -0.50650  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    45   0.15000  1.0 3.0
   39    64    67    68  -0.11600  1.0 1.0
   39    64    67    68  -0.09450 -1.0 2.0
   39    64    67    68   0.21250  1.0 3.0
   67    64    39    33   0.86500  1.0 1.0
   67    64    39    33  -0.17500 -1.0 2.0
   67    64    39    33   0.20800  1.0 3.0
   67    64    39    40   0.23400  1.0 3.0
   67    64    39    41   0.23400  1.0 3.0
   74    73    53    50   3.62500 -1.0 2.0
   74    73    53    55   3.62500 -1.0 2.0
   71    69    70    54   3.62500 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    46   0.09850  1.0 1.0
   42    33    37    46   0.15250 -1.0 2.0
   42    33    37    46  -0.50650  1.0 3.0
   42    33    39    64   0.56750  1.0 1.0
   42    33    39    64  -0.07550 -1.0 2.0
   42    33    39    64   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    46   1.10000 -1.0 2.0
   48    47    46    37   1.10000 -1.0 2.0
   51    53    50    48   4.00000 -1.0 2.0
   54    52    51    50   1.10000 -1.0 2.0
   57    70    54    51   4.00000 -1.0 2.0
   62    58    57    54   1.10000 -1.0 2.0
   65    63    62    57   1.10000 -1.0 2.0
   69    66    65    62   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   69    73    70    54   4.00000 -1.0 2.0
   53    74    73    70   4.00000 -1.0 2.0
   73    55    53    50   4.00000 -1.0 2.0
   53    59    55    56  10.50000 -1.0 2.0
END
