* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    143    225     429
    1     0 S   NP   _N1_     1    28.79825    94.05395   -21.05250
    2     1 S   H    _HN1     2     1.02781    86.40337   -87.78162
    3     1 S   H    _H1_     3     1.02961    94.84335    20.30322
    4     1 S   H    _H2_     4     1.02838    30.27883   136.34800
    5     1 S   CT   _CA1     5     1.50095   140.39975   151.00263
    6     5 S   HC   _HA1     6     1.09574   105.28087    51.35884
    7     5 S   CO3  _C1_     7     1.53828   112.33024   -68.95104
    8     7 S   O2Z  _O11     8     1.26361   115.03009   -45.90992
    9     7 S   O2Z  _O12     9     1.26238   114.92820   133.37273
   10     5 S   CT   _CB1    10     1.53101   107.44361   169.30316
   11    10 S   HC   HB11    11     1.09821   109.47774   -50.70390
   12    10 S   HC   HB12    12     1.09824   110.36763    65.88429
   13    10 S   CT   _CG1    13     1.52985   112.58566  -171.80487
   14    13 S   HC   HG11    14     1.09605   110.36231   -60.69468
   15    13 S   HC   HG12    15     1.09636   110.09841    58.49883
   16    13 S   C    _CD1    16     1.51785   112.29077   178.93119
   17    16 S   O    _OE1    17     1.22712   123.28516    -7.13487
   18    16 S   N    _N2_    18     1.38551   111.53475   173.00198
   19    18 S   H    _HN2    19     1.01594   119.04143     1.46005
   20    18 S   CT1  _CA2    20     1.46237   123.55819  -176.91752
   21    20 S   HC   _HA2    21     1.09725   109.50966   -10.12772
   22    20 S   C    _C2_    22     1.53428   108.44591  -126.00366
   23    22 S   O    _O2_    23     1.23023   122.22176  -146.37913
   24    20 S   CT   _CB2    32     1.53678   111.00086   111.93026
   25    24 S   HC   HB21    33     1.09389   108.33363    54.30395
   26    24 S   HC   HB22    34     1.09249   110.06345   173.01868
   27    22 S   N    _N3_    24     1.38501   113.41195    41.04987
   28    27 S   H    _HN3    25     1.01524   118.88869    -0.80381
   29    24 S   S    _SG2    35     1.82963   110.92206   -66.21006
   30    27 S   CT   _CA3    26     1.45451   123.52331   175.21865
   31    30 S   HC   HA31    27     1.09517   109.34148    22.43327
   32    30 S   HC   HA32    28     1.09499   107.09730   139.43146
   33    29 S   CT   _C15    36     1.90661   104.78122   178.81932
   34    30 S   CO3  _C3_    29     1.52911   113.03499  -101.12962
   35    34 S   O2Z  _O31    30     1.26409   115.36500   -45.93440
   36    34 S   O2Z  _O32    31     1.26351   115.01957   135.00647
   37    33 S   CT   _C9_    37     1.55591   112.72550   -26.84248
   38    37 S   HC   _H25    38     1.10112   107.45287   155.74072
   39    37 S   HC   _H26    39     1.09276   111.40960    43.83577
   40    33 S   CT   _C11    56     1.57006   106.52604    95.01523
   41    40 S   HC   _H29    57     1.09711   108.74700   178.60128
   42    37 S   CT   _C12    40     1.55669   117.24975   -85.63041
   43    42 S   HC   _H30    41     1.09859   106.34048   -94.62982
   44    40 S   CT   _C17    58     1.53375   116.00257   -63.66777
   45    44 S   HC   _H35    59     1.09400   112.45938    71.45711
   46    44 S   HC   _H36    60     1.09339   111.87377   -51.53735
   47    44 S   HC   _H37    61     1.09672   109.93817  -170.29459
   48    42 S   CT   _C13    42     1.54351   113.68890    18.90356
   49    48 S   HC   _H31    43     1.09747   108.97920  -170.09817
   50    42 S   CM   _C6_    68     1.53585   111.31688   154.61368
   51    48 S   CT   _C10    44     1.54459   113.81643   -49.25606
   52    51 S   HC   _H27    45     1.09802   108.93077   146.96145
   53    51 S   HC   _H28    46     1.09835   107.94246   -99.56545
   54    48 S   OH   _O17    66     1.42701   110.87225    73.81820
   55    54 S   HO   _H41    67     0.97269   107.73493   175.00072
   56    50 S   CM   _C5_    69     1.34352   125.47519  -126.30705
   57    56 S   HC   _H19    70     1.08589   121.10365  -178.76885
   58    56 S   HC   _H20    71     1.08230   123.07039     0.72874
   59    50 S   CT   _C16    72     1.51092   115.59775    56.55250
   60    59 S   HC   _H32    73     1.09411   110.90010   -67.75512
   61    59 S   HC   _H33    74     1.09501   110.28735    52.62952
   62    59 S   HC   _H34    75     1.09551   112.24930   172.17035
   63    33 S   CT   _C14    47     1.58856   108.73823  -147.28348
   64    63 S   CT   _C8_    48     1.55899   110.74301   -58.96982
   65    64 S   HC   _H23    49     1.09814   109.98420  -176.61187
   66    64 S   HC   _H24    50     1.09648   110.62388    67.84984
   67    63 S   CT   _C18    62     1.56307   112.85890  -177.25662
   68    67 S   HC   _H38    63     1.08955   113.62506   -61.55436
   69    67 S   HC   _H39    64     1.09722   110.47247   178.85192
   70    67 S   HC   _H40    65     1.09259   113.02868    59.89509
   71    64 S   CT   _C7_    51     1.52535   113.57867   -54.56045
   72    71 S   HC   _H21    52     1.09455   111.42234   -73.49083
   73    71 S   HC   _H22    53     1.09600   109.06844   168.50210
   74    71 S   CO4  _C4_    54     1.51324   112.46074    47.94612
   75    74 S   O    _O16    55     1.23188   120.18830   138.41160
  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  13   5   4   3
  27   2   1   1  18   7   6  15   8  17   7   7   3   2   1  12
   7   9  13   5   4   2   1   6   2   1   3   2   1   1  11  11
   6   5   4   2   1   1   4   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    63    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    63    64    74    40    41    44    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    48    51    52    53    63    64    65    66    71    74    75    40    41    44    45    46    47    67    68    69    70    50  
   35    36  
   36  
    0  
   38    39    42    43    48    49    51    63    64    74    40    41    44    67    54    50    56    59  
   39    42    43    48    63    40    50  
   42    43    48    63    40    50  
   41    44    45    46    47    67    42    51    63    64    71    72    73    74    75  
   44    45    46    47    63    71    74    75  
   43    48    49    51    52    53    63    54    55    50    56    57    58    59    60    61    62  
   48    49    51    54    50    56    59  
   45    46    47    63    71    74    75  
   46    47    74  
   47    74  
   74  
   49    51    52    53    63    64    67    54    55    50    56    59  
   51    52    53    63    54    55    50  
   56    57    58    59    60    61    62    51    54  
   52    53    63    64    65    66    71    67    68    69    70    54    55  
   53    63    64    67    54  
   63    64    67    54  
   55    63  
    0  
   57    58    59    60    61    62  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    71    72    73    74    67    68    69    70  
   65    66    71    72    73    74    75    67    68    69    70  
   66    71    72    73    74    67  
   71    72    73    74    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74    75  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   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   222.000  1.810
   33    37   268.000  1.529
   33    63   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    48   268.000  1.529
   42    50   317.000  1.510
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    63   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.522
   74    75   570.000  1.229
   74    40   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   553.000  0.945
   50    56   549.000  1.340
   50    59   317.000  1.510
   56    57   340.000  1.080
   56    58   340.000  1.080
   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   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  111.63000
   29    33    63    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    63    51    58.35000  112.70000
   33    63    64    58.35000  112.70000
   33    63    67    58.35000  112.70000
   33    40    74    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   37    42    43    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    42    50    70.00000  112.02700
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    51    58.35000  112.70000
   42    48    54    50.00000  109.50000
   42    50    56    70.00000  124.00000
   42    50    59    65.00000  117.92700
   48    42    43    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    63    58.35000  112.70000
   48    54    55    55.00000  108.50000
   51    48    49    37.50000  110.70000
   51    63    64    58.35000  112.70000
   51    63    67    58.35000  112.70000
   53    51    52    33.00000  107.80000
   63    33    37    58.35000  112.70000
   63    51    52    37.50000  110.70000
   63    51    53    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    71    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    63.00000  111.10000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    74    75    80.00000  120.40000
   71    74    40    70.00000  116.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    40    41    35.00000  109.50000
   74    40    44    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    33    63    58.35000  112.70000
   40    74    75    80.00000  120.40000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    51    50.00000  109.50000
   50    42    43    35.00000  109.50000
   50    42    48    70.00000  112.02700
   50    56    57    35.00000  120.00000
   50    56    58    35.00000  120.00000
   50    59    60    35.00000  109.50000
   50    59    61    35.00000  109.50000
   50    59    62    35.00000  109.50000
   58    56    57    35.00000  117.00000
   59    50    56    70.00000  124.00000
   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   0.01700  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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    63    51   0.44750  1.0 1.0
   29    33    63    51  -0.17800 -1.0 2.0
   29    33    63    51   0.20200  1.0 3.0
   29    33    63    64   0.44750  1.0 1.0
   29    33    63    64  -0.17800 -1.0 2.0
   29    33    63    64   0.20200  1.0 3.0
   29    33    63    67   0.44750  1.0 1.0
   29    33    63    67  -0.17800 -1.0 2.0
   29    33    63    67   0.20200  1.0 3.0
   29    33    40    74   0.56750  1.0 1.0
   29    33    40    74  -0.07550 -1.0 2.0
   29    33    40    74   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    48   0.56750  1.0 1.0
   33    37    42    48  -0.07550 -1.0 2.0
   33    37    42    48   0.20000  1.0 3.0
   33    37    42    50   0.34400  1.0 1.0
   33    37    42    50   0.09450 -1.0 2.0
   33    37    42    50   0.11100  1.0 3.0
   33    63    64    65   0.15000  1.0 3.0
   33    63    64    66   0.15000  1.0 3.0
   33    63    64    71   0.56750  1.0 1.0
   33    63    64    71  -0.07550 -1.0 2.0
   33    63    64    71   0.20000  1.0 3.0
   33    63    67    68   0.15000  1.0 3.0
   33    63    67    69   0.15000  1.0 3.0
   33    63    67    70   0.15000  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   37    33    63    51   0.56750  1.0 1.0
   37    33    63    51  -0.07550 -1.0 2.0
   37    33    63    51   0.20000  1.0 3.0
   37    33    63    64   0.56750  1.0 1.0
   37    33    63    64  -0.07550 -1.0 2.0
   37    33    63    64   0.20000  1.0 3.0
   37    33    63    67   0.56750  1.0 1.0
   37    33    63    67  -0.07550 -1.0 2.0
   37    33    63    67   0.20000  1.0 3.0
   37    33    40    74  -0.95700  1.0 1.0
   37    33    40    74  -0.18200 -1.0 2.0
   37    33    40    74   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42   -48    51   0.56750  1.0 1.0
   37    42   -48    51  -0.07550 -1.0 2.0
   37    42   -48    51   0.20000  1.0 3.0
   37    42    48    54   0.86500  1.0 1.0
   37    42    48    54  -0.17500 -1.0 2.0
   37    42    48    54   0.20800  1.0 3.0
   37    42    50    56   0.09850  1.0 1.0
   37    42    50    56   0.15250 -1.0 2.0
   37    42    50    56  -0.50650  1.0 3.0
   37    42    50    59   0.46850  1.0 1.0
   37    42    50    59   0.08550 -1.0 2.0
   37    42    50    59   0.09800  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    42    50   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    48   0.15000  1.0 3.0
   39    37    42    50   0.15000  1.0 3.0
   42    48    51    52   0.15000  1.0 3.0
   42    48    51    53   0.15000  1.0 3.0
   42    48    51    63   0.56750  1.0 1.0
   42    48    51    63  -0.07550 -1.0 2.0
   42    48    51    63   0.20000  1.0 3.0
   42    48    54    55  -0.11600  1.0 1.0
   42    48    54    55  -0.09450 -1.0 2.0
   42    48    54    55   0.21250  1.0 3.0
   42    50    56    57   7.00000 -1.0 2.0
   42    50    56    58   7.00000 -1.0 2.0
   42    50    59    60   0.34800  1.0 3.0
   42    50    59    61   0.34800  1.0 3.0
   42    50    59    62   0.34800  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    42    48    54   0.23400  1.0 3.0
   43    42    50    56   0.00000  1.0 1.0
   43    42    50    59   0.34800  1.0 3.0
   48    42    50    56   0.09850  1.0 1.0
   48    42    50    56   0.15250 -1.0 2.0
   48    42    50    56  -0.50650  1.0 3.0
   48    42    50    59   0.46850  1.0 1.0
   48    42    50    59   0.08550 -1.0 2.0
   48    42    50    59   0.09800  1.0 3.0
   48    51   -63    33   0.56750  1.0 1.0
   48    51   -63    33  -0.07550 -1.0 2.0
   48    51   -63    33   0.20000  1.0 3.0
   48    51    63    64   0.56750  1.0 1.0
   48    51    63    64  -0.07550 -1.0 2.0
   48    51    63    64   0.20000  1.0 3.0
   48    51    63    67   0.56750  1.0 1.0
   48    51    63    67  -0.07550 -1.0 2.0
   48    51    63    67   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    63   0.15000  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   51    48    54    55  -0.11600  1.0 1.0
   51    48    54    55  -0.09450 -1.0 2.0
   51    48    54    55   0.21250  1.0 3.0
   51    63    64    65   0.15000  1.0 3.0
   51    63    64    66   0.15000  1.0 3.0
   51    63    64    71   0.56750  1.0 1.0
   51    63    64    71  -0.07550 -1.0 2.0
   51    63    64    71   0.20000  1.0 3.0
   51    63    67    68   0.15000  1.0 3.0
   51    63    67    69   0.15000  1.0 3.0
   51    63    67    70   0.15000  1.0 3.0
   52    51    63    33   0.15000  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    67   0.15000  1.0 3.0
   53    51    63    33   0.15000  1.0 3.0
   53    51    63    64   0.15000  1.0 3.0
   53    51    63    67   0.15000  1.0 3.0
   63    33    37    38   0.15000  1.0 3.0
   63    33    37    39   0.15000  1.0 3.0
   63    33   -37    42   0.56750  1.0 1.0
   63    33   -37    42  -0.07550 -1.0 2.0
   63    33   -37    42   0.20000  1.0 3.0
   63    33    40    74  -0.95700  1.0 1.0
   63    33    40    74  -0.18200 -1.0 2.0
   63    33    40    74   0.29450  1.0 3.0
   63    33    40    41   0.15000  1.0 3.0
   63    33    40    44   0.56750  1.0 1.0
   63    33    40    44  -0.07550 -1.0 2.0
   63    33    40    44   0.20000  1.0 3.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    73   0.15000  1.0 3.0
   63    64   -71    74  -0.95700  1.0 1.0
   63    64   -71    74  -0.18200 -1.0 2.0
   63    64   -71    74   0.29450  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    71    74    75   0.30150 -1.0 2.0
   64    71    74    40   0.60050  1.0 1.0
   64    71    74    40   0.05600 -1.0 2.0
   64    71    74    40   0.26150  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74  -0.11250  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    74  -0.11250  1.0 3.0
   71    74   -40    33   0.60050  1.0 1.0
   71    74   -40    33   0.05600 -1.0 2.0
   71    74   -40    33   0.26150  1.0 3.0
   71    74    40    41   0.00000  1.0 1.0
   71    74    40    44   0.60050  1.0 1.0
   71    74    40    44   0.05600 -1.0 2.0
   71    74    40    44   0.26150  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    40   0.00000  1.0 1.0
   73    71    74    75   0.00000  1.0 1.0
   73    71    74    40   0.00000  1.0 1.0
   74    40    44    45  -0.11250  1.0 3.0
   74    40    44    46  -0.11250  1.0 3.0
   74    40    44    47  -0.11250  1.0 3.0
   75    74    40    33   0.30150 -1.0 2.0
   75    74    40    41   0.00000  1.0 1.0
   75    74    40    44   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    63    51   0.56750  1.0 1.0
   40    33    63    51  -0.07550 -1.0 2.0
   40    33    63    51   0.20000  1.0 3.0
   40    33   -63    64   0.56750  1.0 1.0
   40    33   -63    64  -0.07550 -1.0 2.0
   40    33   -63    64   0.20000  1.0 3.0
   40    33    63    67   0.56750  1.0 1.0
   40    33    63    67  -0.07550 -1.0 2.0
   40    33    63    67   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    71   0.56750  1.0 1.0
   67    63    64    71  -0.07550 -1.0 2.0
   67    63    64    71   0.20000  1.0 3.0
   54    48    51    52   0.23400  1.0 3.0
   54    48    51    53   0.23400  1.0 3.0
   54    48    51    63   0.86500  1.0 1.0
   54    48    51    63  -0.17500 -1.0 2.0
   54    48    51    63   0.20800  1.0 3.0
   50    42    48    49   0.15000  1.0 3.0
   50    42    48    51   0.34400  1.0 1.0
   50    42    48    51   0.09450 -1.0 2.0
   50    42    48    51   0.11100  1.0 3.0
   50    42    48    54   1.05650  1.0 1.0
   50    42    48    54   0.15600 -1.0 2.0
   50    42    48    54   0.53150  1.0 3.0
   56    50    59    60   0.00000  1.0 1.0
   56    50    59    61   0.00000  1.0 1.0
   56    50    59    62   0.00000  1.0 1.0
   59    50    56    57   7.00000 -1.0 2.0
   59    50    56    58   7.00000 -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
   36    30    34    35  10.50000 -1.0 2.0
   71    40    74    75  10.50000 -1.0 2.0
   42    59    50    56  15.00000 -1.0 2.0
   57    58    56    50  15.00000 -1.0 2.0
END
