* LIGAND DATABASE FILE (OPLS2005)
*
001      69    73    128    218     380
    1     0 S   NP   _N1_     1    29.04557    97.15715   -21.76312
    2     1 S   H    _HN1     2     1.02794   102.76492   -93.99232
    3     1 S   H    _H1_     3     1.02943    65.01804    10.62345
    4     1 S   H    _H2_     4     1.02824    46.41862   163.29931
    5     1 S   CT   _CA1     5     1.50156   143.71814   101.48085
    6     5 S   HC   _HA1     6     1.09567   105.09682   102.31382
    7     5 S   CO3  _C1_     7     1.53763   112.73753   -17.74805
    8     7 S   O2Z  _O11     8     1.26377   114.99431   -34.04810
    9     7 S   O2Z  _O12     9     1.26253   115.04273   145.12371
   10     5 S   CT   _CB1    10     1.53080   107.40184  -139.56962
   11    10 S   HC   HB11    11     1.09841   109.34464   -47.47246
   12    10 S   HC   HB12    12     1.09813   110.41596    69.16051
   13    10 S   CT   _CG1    13     1.53014   112.70664  -168.38263
   14    13 S   HC   HG11    14     1.09496   110.73740   -69.75079
   15    13 S   HC   HG12    15     1.09661   109.64974    49.46758
   16    13 S   C    _CD1    16     1.51799   111.89784   170.13805
   17    16 S   O    _OE1    17     1.22749   123.08348    18.17650
   18    16 S   N    _N2_    18     1.38617   111.89049  -162.16437
   19    18 S   H    _HN2    19     1.01552   118.92941     1.19649
   20    18 S   CT1  _CA2    20     1.46178   123.42120   175.96231
   21    20 S   HC   _HA2    21     1.09735   109.36011     3.43331
   22    20 S   C    _C2_    22     1.53588   108.40616  -111.89709
   23    22 S   O    _O2_    23     1.23048   122.30592  -147.81005
   24    20 S   CT   _CB2    32     1.53258   111.73182   125.62597
   25    24 S   HC   HB21    33     1.09526   110.55092    58.00952
   26    24 S   HC   HB22    34     1.09545   110.22733   175.89163
   27    22 S   N    _N3_    24     1.38330   113.66330    39.54012
   28    27 S   H    _HN3    25     1.01570   119.54945    -3.00707
   29    24 S   S    _SG2    35     1.82898   111.56343   -65.83355
   30    27 S   CT   _CA3    26     1.45274   123.35583   177.37117
   31    30 S   HC   HA31    27     1.09544   107.48807   -65.70067
   32    30 S   HC   HA32    28     1.09553   108.04202    50.78461
   33    29 S   CT   _C22    36     1.84362   100.42663   125.33541
   34    33 S   HC   _H3_    37     1.09597   107.26129    48.40192
   35    30 S   CO3  _C3_    29     1.52990   113.97833   172.79922
   36    35 S   O2Z  _O31    30     1.26395   116.06099    -0.58617
   37    35 S   O2Z  _O32    31     1.26419   114.42815   179.47698
   38    33 S   CM   _C21    38     1.50179   109.25491   -71.48000
   39    38 S   HC   _H14    39     1.08629   118.26191    88.54743
   40    38 S   CM   _C20    40     1.34149   122.46176   -93.16732
   41    40 S   HC   _H13    41     1.08295   118.99921  -178.18458
   42    40 S   CA   _C12    42     1.47814   121.25455     2.45655
   43    42 S   CA   _C13    43     1.41481   123.04171   162.21097
   44    42 S   CA   _C11    63     1.41602   117.61297   -18.73101
   45    43 S   CM   _C19    44     1.48188   122.93224    -2.65771
   46    45 S   HC   _H12    45     1.08251   119.87739    -0.83228
   47    33 S   CT   _C23    64     1.54737   111.96093   166.59250
   48    47 S   HC   _H4_    65     1.09908   108.47349  -167.24785
   49    43 S   CR3  _C14    68     1.42385   120.11864   178.10339
   50    45 S   CM   _C18    46     1.34112   121.77381   179.84805
   51    50 S   HC   _H11    47     1.08497   120.51242   179.75934
   52    47 S   OH   _O33    66     1.42655   110.91418   -51.07763
   53    52 S   HO   _H15    67     0.97211   107.66438   -50.25510
   54    55 S   CR3  _C15    69     1.40953   118.90160     0.29739
   55    50 S   CA   _C16    48     1.46604   120.71246     0.31090
   56    55 S   CA   _C17    49     1.39899   120.43674  -179.98022
   57    56 S   HA   _H10    50     1.08725   120.77958     0.16902
   58    56 S   CA   _C4_    51     1.39215   120.01936  -179.76015
   59    58 S   HA   _H5_    52     1.08632   119.97160   179.98022
   60    58 S   CA   _C5_    53     1.39436   120.07801     0.04423
   61    60 S   HA   _H6_    54     1.08803   118.77310   179.97202
   62    60 S   CA   _C6_    55     1.40395   120.68353    -0.00000
   63    62 S   CA   _C7_    56     1.39836   121.22487   180.00000
   64    63 S   HA   _H7_    57     1.08789   120.68143    -0.01978
   65    63 S   CA   _C8_    58     1.39418   120.50268  -180.00000
   66    65 S   HA   _H8_    59     1.08834   118.58376   179.94405
   67    65 S   CA   _C9_    60     1.40171   120.88267    -0.02798
   68    67 S   CA   _C10    61     1.39908   120.61821   179.96574
   69    68 S   HA   _H9_    62     1.08883   119.32196     0.60781
  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   9   5   4   3
  12   7   2   1   1   9   4   8   3  13  13  10   8   4   6   3
  12   7   3   2   1  12   8   6   3   5   3   5   2   5   5   3
   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    68    44    47    48    52    53  
   38    39    40    44    47    48    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    48    52  
   40    41    42    47  
   41    42    43    45    68    44    47    49  
   42    43    44  
   43    45    46    50    67    68    69    44    47    48    52    49    54  
   45    46    50    51    55    62    65    67    68    44    47    49    54  
   47    48    52    53    49    45    65    67    68    69  
   46    50    51    55    56    67    49    54  
   50    51    55    49  
   48    52    53    67    68    69  
   52    53    68  
   54    50    55    56    60    62    63    65    66    67    68    69  
   51    55    56    57    58    62    54  
   55    56    54  
   53    68  
    0  
   55    56    57    58    60    61    62    63    64    65    67    68  
   56    57    58    59    60    62    63    67  
   57    58    59    60    61    62  
   58    59    60  
   59    60    61    62    63  
   60    61    62  
   61    62    63    64    65  
   62    63  
   63    64    65    66    67  
   64    65    66    67    68  
   65    66    67  
   66    67    68    69  
   67    68  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    44   469.000  1.400
   43    45   320.000  1.460
   43    49   490.000  1.398
   45    46   340.000  1.080
   45    50   549.000  1.340
   50    51   340.000  1.080
   50    55   320.000  1.460
   55    56   469.000  1.400
   55    54   490.000  1.398
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    54   490.000  1.398
   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   469.000  1.400
   67    49   490.000  1.398
   68    69   367.000  1.080
   68    44   469.000  1.400
   44    47   317.000  1.510
   47    48   340.000  1.090
   47    52   320.000  1.410
   52    53   553.000  0.945
   49    54   490.000  1.398
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    44    70.00000  112.17500
   33    47    48    37.50000  110.70000
   33    47    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    60.00000  123.20500
   40    38    39    35.00000  120.00000
   40    42    43    60.00000  120.93500
   40    42    44    60.00000  120.93500
   42    40    41    40.00000  117.26300
   42    43    45    60.00000  120.93500
   42    43    49    70.00000  112.88000
   42    44    68    63.00000  120.00000
   42    44    47    70.00000  120.00000
   43    45    46    40.00000  117.26300
   43    45    50    60.00000  123.20500
   43    49    67    60.00000  130.80000
   43    49    54    60.00000  130.80000
   45    50    51    35.00000  120.00000
   45    50    55    60.00000  123.20500
   50    45    46    35.00000  120.00000
   50    55    56    60.00000  120.93500
   50    55    54    60.00000  120.93500
   55    50    51    40.00000  117.26300
   55    56    57    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    54    62    60.00000  130.80000
   55    54    49    60.00000  130.80000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    54    70.00000  112.88000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    54    49    60.00000  130.80000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    49    70.00000  112.88000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    44    63.00000  120.00000
   67    49    54    60.00000  130.80000
   68    44    47    70.00000  120.00000
   44    42    43    63.00000  120.00000
   44    68    69    35.00000  120.00000
   44    47    48    35.00000  109.50000
   44    47    52    90.00000  112.51600
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    52    53    55.00000  108.50000
   52    47    48    35.00000  109.50000
   49    43    45    60.00000  120.93500
   49    67    68    70.00000  112.88000
   54    55    56    70.00000  112.88000
   54    62    63    70.00000  112.88000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    52   0.56750  1.0 1.0
   29    33    47    52  -0.07550 -1.0 2.0
   29    33    47    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    52    53  -0.11600  1.0 1.0
   33    47    52    53  -0.09450 -1.0 2.0
   33    47    52    53   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44   0.43200  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    52   0.23400  1.0 3.0
   38    33    47    44   0.21200  1.0 1.0
   38    33    47    44   0.16900 -1.0 2.0
   38    33    47    44  -1.15100  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    52   1.05650  1.0 1.0
   38    33    47    52   0.15600 -1.0 2.0
   38    33    47    52   0.53150  1.0 3.0
   38    40    42    43   0.15800  1.0 1.0
   38    40    42    43   1.85350 -1.0 2.0
   38    40    42    43  -0.48700  1.0 3.0
   38    40   -42    44   0.15800  1.0 1.0
   38    40   -42    44   1.85350 -1.0 2.0
   38    40   -42    44  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    43    49   3.62500 -1.0 2.0
   40    42    44    68   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   0.56550  1.0 3.0
   41    40    42    44   0.56550  1.0 3.0
   42    43    45    46   0.56550  1.0 3.0
   42    43    45    50   0.15800  1.0 1.0
   42    43    45    50   1.85350 -1.0 2.0
   42    43    45    50  -0.48700  1.0 3.0
   42    43    49    67   3.62500 -1.0 2.0
   42    43    49    54   3.62500 -1.0 2.0
   42    44   -47    33   0.04150 -1.0 2.0
   42    44    47    48   0.00000  1.0 1.0
   42    44    47    52   0.14300 -1.0 2.0
   42    44    47    52   0.00300  1.0 3.0
   43    42    44    68   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   43    45    50    51   7.00000 -1.0 2.0
   43    45    50    55   7.00000 -1.0 2.0
   43    49   -54    55   3.62500 -1.0 2.0
   43    49    54    62   3.62500 -1.0 2.0
   45    43    49    67   3.62500 -1.0 2.0
   45    43    49    54   3.62500 -1.0 2.0
   45    50    55    56   0.15800  1.0 1.0
   45    50    55    56   1.85350 -1.0 2.0
   45    50    55    56  -0.48700  1.0 3.0
   45    50   -55    54   0.15800  1.0 1.0
   45    50   -55    54   1.85350 -1.0 2.0
   45    50   -55    54  -0.48700  1.0 3.0
   46    45    50    51   7.00000 -1.0 2.0
   46    45    50    55   7.00000 -1.0 2.0
   50    55    56    57   3.62500 -1.0 2.0
   50    55    56    58   3.62500 -1.0 2.0
   50    55    54    62   3.62500 -1.0 2.0
   50    55    54    49   3.62500 -1.0 2.0
   51    50    55    56   0.56550  1.0 3.0
   51    50    55    54   0.56550  1.0 3.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    60   3.62500 -1.0 2.0
   56    55    54    62   3.62500 -1.0 2.0
   56    55    54    49   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    62   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60    62    54   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    65   3.62500 -1.0 2.0
   60    62   -54    55   3.62500 -1.0 2.0
   60    62    54    49   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    54   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    67   3.62500 -1.0 2.0
   63    62    54    55   3.62500 -1.0 2.0
   63    62    54    49   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65   -67    49   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    69   3.62500 -1.0 2.0
   65    67    68    44   3.62500 -1.0 2.0
   65    67    49    43   3.62500 -1.0 2.0
   65    67    49    54   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    49   3.62500 -1.0 2.0
   67    68   -44    42   3.62500 -1.0 2.0
   67    68    44    47   3.62500 -1.0 2.0
   67    49    54    55   3.62500 -1.0 2.0
   67    49   -54    62   3.62500 -1.0 2.0
   68    67   -49    43   3.62500 -1.0 2.0
   68    67    49    54   3.62500 -1.0 2.0
   68    44    47    33   0.04150 -1.0 2.0
   68    44    47    48   0.00000  1.0 1.0
   68    44    47    52   0.14300 -1.0 2.0
   68    44    47    52   0.00300  1.0 3.0
   69    68    44    42   3.62500 -1.0 2.0
   69    68    44    47   3.62500 -1.0 2.0
   44    42    43    45   3.62500 -1.0 2.0
   44    42    43    49   3.62500 -1.0 2.0
   44    47    52    53   0.31900  1.0 1.0
   44    47    52    53  -0.11800 -1.0 2.0
   44    47    52    53   0.38750  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   49    43    45    46   0.56550  1.0 3.0
   49    43   -45    50   0.15800  1.0 1.0
   49    43   -45    50   1.85350 -1.0 2.0
   49    43   -45    50  -0.48700  1.0 3.0
   49    67    68    69   3.62500 -1.0 2.0
   49    67   -68    44   3.62500 -1.0 2.0
   54    55    56    57   3.62500 -1.0 2.0
   54    55   -56    58   3.62500 -1.0 2.0
   54    62    63    64   3.62500 -1.0 2.0
   54    62   -63    65   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    44    42    40   4.00000 -1.0 2.0
   45    49    43    42   4.00000 -1.0 2.0
   43    46    45    50   1.10000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   56    54    55    50   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    54    62    60   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    49    67    65   4.00000 -1.0 2.0
   44    69    68    67   1.10000 -1.0 2.0
   68    47    44    42   4.00000 -1.0 2.0
   67    54    49    43   4.00000 -1.0 2.0
   62    49    54    55   4.00000 -1.0 2.0
END
