* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    132    220     393
    1     0 S   NP   _N1_     1    28.89204    94.68836   -19.89908
    2     1 S   H    _HN1     2     1.02962    97.51437    33.10251
    3     1 S   H    _H1_     3     1.02836    35.39383   142.03421
    4     1 S   H    _H2_     4     1.02780    79.26830   -74.21409
    5     1 S   CT   _CA1     5     1.50116   143.17830   172.84146
    6     5 S   HC   _HA1     6     1.09560   105.29868    40.79141
    7     5 S   CO3  _C1_     7     1.53880   112.35173   -79.62710
    8     7 S   O2Z  _O11     8     1.26387   115.07691   -42.42826
    9     7 S   O2Z  _O12     9     1.26234   114.98464   137.03656
   10     5 S   CT   _CB1    10     1.53106   107.43914   158.93129
   11    10 S   HC   HB11    11     1.09820   109.63227   -48.27628
   12    10 S   HC   HB12    12     1.09822   110.23170    68.25987
   13    10 S   CT   _CG1    13     1.53047   112.70850  -169.32541
   14    13 S   HC   HG11    14     1.09472   110.55634   -55.88609
   15    13 S   HC   HG12    15     1.09617   110.16060    63.10442
   16    13 S   C    _CD1    16     1.51792   111.89983  -176.89411
   17    16 S   O    _OE1    17     1.22752   123.00455   -18.69280
   18    16 S   N    _N2_    18     1.38591   111.88439   162.40731
   19    18 S   H    _HN2    19     1.01571   119.11793     1.30491
   20    18 S   CT1  _CA2    20     1.46191   123.34458  -178.53928
   21    20 S   HC   _HA2    21     1.09731   109.40771   -12.59061
   22    20 S   C    _C2_    22     1.53419   108.17498  -128.26685
   23    22 S   O    _O2_    23     1.23005   122.29891  -144.85471
   24    20 S   CT   _CB2    32     1.53477   111.44691   109.51378
   25    24 S   HC   HB21    33     1.09442   109.82517    57.09263
   26    24 S   HC   HB22    34     1.09502   109.98145   175.07877
   27    22 S   N    _N3_    24     1.38528   113.32329    42.38858
   28    27 S   H    _HN3    25     1.01529   118.90738    -0.48859
   29    24 S   S    _SG2    35     1.83221   111.63430   -66.05098
   30    27 S   CT   _CA3    26     1.45453   123.46979   175.26426
   31    30 S   HC   HA31    27     1.09521   109.26902    23.70097
   32    30 S   HC   HA32    28     1.09497   107.10965   140.70039
   33    29 S   CT   _C20    36     1.85756   101.43014   147.15469
   34    30 S   CO3  _C3_    29     1.52923   113.10775   -99.80759
   35    34 S   O2Z  _O31    30     1.26403   115.40035   -44.71619
   36    34 S   O2Z  _O32    31     1.26354   114.98853   136.23257
   37    33 S   CA   _C12    37     1.52149   108.58397   179.19741
   38    33 S   CO4  _C16    68     1.52309   110.38678    56.49726
   39    38 S   O    _O20    69     1.22836   124.33579    17.80809
   40    37 S   CA   _C11    38     1.40134   111.02118   100.75960
   41    40 S   CA   _C7_    39     1.39014   121.50464  -179.47066
   42    41 S   HA   _H28    40     1.08628   120.20020  -179.78330
   43    40 S   CT   _C18    51     1.50139   111.88911    -0.45111
   44    43 S   HC   _H30    52     1.09563   110.17027   136.12086
   45    41 S   CA   _C13    41     1.40025   119.09146     0.46562
   46    33 S   CT   _C19    53     1.55359   111.23766   -70.68702
   47    46 S   HC   _H31    54     1.09840   111.53526    33.23859
   48    43 S   NT   _N19    70     1.45842   111.42940  -101.79067
   49    48 S   H    _H35    71     1.02061   109.83349   -66.14630
   50    48 S   H    _H36    72     1.01960   109.21793   178.79504
   51    45 S   CA   _C8_    42     1.40673   119.58051    -0.79328
   52    51 S   HA   _H29    43     1.08764   119.40733  -179.23639
   53    45 S   CT   _C21    47     1.50003   120.22761  -178.40235
   54    53 S   HC   _H32    48     1.09430   109.97430    90.01911
   55    53 S   HC   _H33    49     1.09507   110.88091  -149.47089
   56    53 S   HC   _H34    50     1.09510   110.95262   -30.45584
   57    46 S   CO4  _C17    55     1.52602   115.72607   150.81271
   58    57 S   O    _O21    56     1.23092   120.45343  -178.76711
   59    37 S   CA   _C15    44     1.38842   129.51280   -78.23739
   60    57 S   CA   _C10    57     1.48007   120.47758     1.40695
   61    59 S   OH   _O23    45     1.36362   119.93515    -0.46394
   62    61 S   HO   _H38    46     0.97215   108.90810   178.38178
   63    60 S   CA   _C9_    58     1.39392   120.07414   -16.32991
   64    63 S   CA   _C5_    59     1.40251   120.54885  -177.90184
   65    64 S   HA   _H26    60     1.08746   121.03067  -179.87489
   66    64 S   CA   _C4_    61     1.39283   120.16802    -0.54321
   67    66 S   HA   _H25    62     1.08624   120.08364  -179.65452
   68    66 S   CA   _C6_    63     1.39114   119.82239     0.28186
   69    68 S   HA   _H27    64     1.08687   119.68500   179.97202
   70    60 S   CA   _C14    65     1.40487   121.23314   165.53414
   71    70 S   OH   _O22    66     1.36963   123.47155    -1.89134
   72    71 S   HO   _H37    67     0.97380   108.95944     3.88302
  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  11   5   4   3
  18   2   1   1  18  13   4  15  13   4  11   6   8  10   4   3
   1   1   8   3   4   2   1   1   7   3   2   9   1   1   7   6
   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    59    43    46    47    57    63    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    51    59    61    43    44    46    47    57    58    60    63    64    38    39    48  
   35    36  
   36  
    0  
   40    41    42    45    51    52    59    61    62    43    44    46    47    57    63    38    39    48  
   39    40    43    46    47    57    59    60    63    64    65    66    70  
   46    60    63    64  
   41    42    45    51    59    61    53    43    44    46    47    57    48    49    50  
   42    45    51    52    59    53    54    55    56    43    44    46    48  
   45    51    53    43  
   44    46    47    57    58    60    48    49    50    45    59  
   46    47    57    48    49    50  
   51    52    59    61    53    54    55    56  
   47    57    58    60    63    70    48    49    50    59  
   57    58    60    48  
   49    50    57  
   50  
    0  
   52    59    61    62    53    54    55    56  
   59    61    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58    60    63    64    68    70    71  
   60    63    70  
   61    62  
   63    64    65    66    68    69    70    71    72  
   62  
    0  
   64    65    66    67    68    70    71  
   65    66    67    68    69    70  
   66    67    68  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   71    72  
   72  
    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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.235000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   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
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    46   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    59   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    51   469.000  1.400
   45    53   317.000  1.510
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    61   450.000  1.364
   61    62   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   382.000  1.448
   46    47   340.000  1.090
   46    57   317.000  1.522
   57    58   570.000  1.229
   57    60   310.000  1.470
   60    63   469.000  1.400
   60    70   469.000  1.400
   63    64   469.000  1.400
   63    38   310.000  1.470
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   38    39   570.000  1.229
   48    49   434.000  1.010
   48    50   434.000  1.010
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    80.00000  109.48900
   29    33    46    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    59    70.00000  120.00000
   33    46    43    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    57    63.00000  111.10000
   33    38    63    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    59    51    63.00000  120.00000
   37    59    61    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    75.00000  112.33000
   41    45    51    63.00000  120.00000
   41    45    53    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    51    52    35.00000  120.00000
   45    51    59    63.00000  120.00000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    56    35.00000  109.50000
   51    59    61    70.00000  120.00000
   59    37    40    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    61    62    35.00000  113.00000
   53    45    51    70.00000  120.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    57    63.00000  111.10000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   46    33    37    70.00000  112.17500
   46    43    44    37.50000  110.70000
   46    57    58    80.00000  120.40000
   46    57    60    65.00000  115.47100
   57    46    47    35.00000  109.50000
   57    60    63    60.00000  119.52600
   57    60    70    60.00000  119.52600
   60    57    58    75.00000  123.78400
   60    63    64    63.00000  120.00000
   60    63    38    60.00000  119.52600
   60    70    68    63.00000  120.00000
   60    70    71    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    38    39    75.00000  123.78400
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    60    63    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    46    63.00000  111.10000
   38    63    64    60.00000  119.52600
   48    43    44    35.00000  109.50000
   48    43    46    56.20000  109.47000
   50    48    49    43.60000  106.40000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    59  -0.16000  1.0 1.0
   29    33    37    59  -0.03200 -1.0 2.0
   29    33    37    59   0.04500  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    57   0.56750  1.0 1.0
   29    33    46    57  -0.07550 -1.0 2.0
   29    33    46    57   0.20000  1.0 3.0
   29    33    38    63   0.65300  1.0 1.0
   29    33    38    63  -0.03850 -1.0 2.0
   29    33    38    63   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37   -40    43   3.62500 -1.0 2.0
   33    37    59    51   3.62500 -1.0 2.0
   33    37    59    61   3.62500 -1.0 2.0
   33    46    57    58   0.30150 -1.0 2.0
   33    46    57    60   0.05850 -1.0 2.0
   33    46    57    60   0.17250  1.0 3.0
   37    33   -46    43  -0.03700  1.0 1.0
   37    33   -46    43   0.37200 -1.0 2.0
   37    33   -46    43  -0.47300  1.0 3.0
   37    33    46    47   0.43200  1.0 3.0
   37    33    46    57   0.56750  1.0 1.0
   37    33    46    57  -0.07550 -1.0 2.0
   37    33    46    57   0.20000  1.0 3.0
   37    33    38    63   0.65300  1.0 1.0
   37    33    38    63  -0.03850 -1.0 2.0
   37    33    38    63   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48   0.18550 -1.0 2.0
   37    40    43    48   0.14000  1.0 3.0
   37    59    61    62   0.84100 -1.0 2.0
   40    37    59    51   3.62500 -1.0 2.0
   40    37    59    61   3.62500 -1.0 2.0
   40    41   -45    51   3.62500 -1.0 2.0
   40    41    45    53   3.62500 -1.0 2.0
   40    43   -46    33  -0.03700  1.0 1.0
   40    43   -46    33   0.37200 -1.0 2.0
   40    43   -46    33  -0.47300  1.0 3.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    57   0.56750  1.0 1.0
   40    43    46    57  -0.07550 -1.0 2.0
   40    43    46    57   0.20000  1.0 3.0
   40    43    48    49   0.76500  1.0 1.0
   40    43    48    49   0.05700 -1.0 2.0
   40    43    48    49  -0.90900  1.0 3.0
   40    43    48    50   0.76500  1.0 1.0
   40    43    48    50   0.05700 -1.0 2.0
   40    43    48    50  -0.90900  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48   0.18550 -1.0 2.0
   41    40    43    48   0.14000  1.0 3.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    59   3.62500 -1.0 2.0
   41    45    53    54   0.00000  1.0 1.0
   41    45    53    55   0.00000  1.0 1.0
   41    45    53    56   0.00000  1.0 1.0
   42    41    45    51   3.62500 -1.0 2.0
   42    41    45    53   3.62500 -1.0 2.0
   45    51   -59    37   3.62500 -1.0 2.0
   45    51    59    61   3.62500 -1.0 2.0
   51    45    53    54   0.00000  1.0 1.0
   51    45    53    55   0.00000  1.0 1.0
   51    45    53    56   0.00000  1.0 1.0
   51    59    61    62   0.84100 -1.0 2.0
   52    51    59    37   3.62500 -1.0 2.0
   52    51    59    61   3.62500 -1.0 2.0
   59    37   -40    41   3.62500 -1.0 2.0
   59    37    40    43   3.62500 -1.0 2.0
   53    45    51    52   3.62500 -1.0 2.0
   53    45    51    59   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46    57    58   0.30150 -1.0 2.0
   43    46    57    60   0.05850 -1.0 2.0
   43    46    57    60   0.17250  1.0 3.0
   44    43    46    33   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    57  -0.11250  1.0 3.0
   44    43    48    49   0.20000  1.0 3.0
   44    43    48    50   0.20000  1.0 3.0
   46    33   -37    40   0.04150 -1.0 2.0
   46    33    37    59   0.04150 -1.0 2.0
   46    33    38    63   0.05850 -1.0 2.0
   46    33    38    63   0.17250  1.0 3.0
   46    33    38    39   0.30150 -1.0 2.0
   46    43    48    49  -0.05950  1.0 1.0
   46    43    48    49   0.08850 -1.0 2.0
   46    43    48    49   0.11750  1.0 3.0
   46    43    48    50  -0.05950  1.0 1.0
   46    43    48    50   0.08850 -1.0 2.0
   46    43    48    50   0.11750  1.0 3.0
   46    57   -60    63   2.26350  1.0 1.0
   46    57   -60    63   0.76750 -1.0 2.0
   46    57   -60    63   0.22500  1.0 3.0
   46    57    60    70   2.26350  1.0 1.0
   46    57    60    70   0.76750 -1.0 2.0
   46    57    60    70   0.22500  1.0 3.0
   47    46    57    58   0.00000  1.0 1.0
   47    46    57    60   0.00000  1.0 1.0
   57    60    63    64   3.62500 -1.0 2.0
   57    60    63    38   3.62500 -1.0 2.0
   57    60    70    68   3.62500 -1.0 2.0
   57    60    70    71   3.62500 -1.0 2.0
   58    57    60    63   1.05000 -1.0 2.0
   58    57    60    70   1.05000 -1.0 2.0
   60    63    64    65   3.62500 -1.0 2.0
   60    63    64    66   3.62500 -1.0 2.0
   60    63   -38    33   2.26350  1.0 1.0
   60    63   -38    33   0.76750 -1.0 2.0
   60    63   -38    33   0.22500  1.0 3.0
   60    63    38    39   1.05000 -1.0 2.0
   60    70    71    72   0.84100 -1.0 2.0
   63    60    70    68   3.62500 -1.0 2.0
   63    60    70    71   3.62500 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64   -66    68   3.62500 -1.0 2.0
   64    63    38    33   2.26350  1.0 1.0
   64    63    38    33   0.76750 -1.0 2.0
   64    63    38    33   0.22500  1.0 3.0
   64    63    38    39   1.05000 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68   -70    60   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    60   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    60   -63    64   3.62500 -1.0 2.0
   70    60    63    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    59   0.04300 -1.0 2.0
   38    33    46    43  -0.95700  1.0 1.0
   38    33    46    43  -0.18200 -1.0 2.0
   38    33    46    43   0.29450  1.0 3.0
   38    33    46    47  -0.11250  1.0 3.0
   38    33   -46    57   0.11950  1.0 1.0
   38    33   -46    57   0.20300 -1.0 2.0
   38    33   -46    57  -0.70800  1.0 3.0
   38    63    64    65   3.62500 -1.0 2.0
   38    63    64    66   3.62500 -1.0 2.0
   48    43    46    33   1.85550  1.0 1.0
   48    43    46    33  -0.84100 -1.0 2.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    57  -3.56550  1.0 1.0
   48    43    46    57  -0.67500 -1.0 2.0
   48    43    46    57   1.11300  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
   40    59    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   51    53    45    41   4.00000 -1.0 2.0
   59    52    51    45   1.10000 -1.0 2.0
   51    61    59    37   4.00000 -1.0 2.0
   46    60    57    58  10.50000 -1.0 2.0
   63    70    60    57   4.00000 -1.0 2.0
   64    38    63    60   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   68    71    70    60   4.00000 -1.0 2.0
   33    63    38    39  10.50000 -1.0 2.0
END
