* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    132    202     379
    1     0 S   NP   _N1_     1    28.45824    93.75201   -19.11001
    2     1 S   H    _HN1     2     1.03128    97.40245    32.93596
    3     1 S   H    _H1_     3     1.02816    33.42918   142.51197
    4     1 S   H    _H2_     4     1.02764    81.16781   -74.41529
    5     1 S   CT   _CA1     5     1.49980   141.92368   170.28331
    6     5 S   HC   _HA1     6     1.09574   105.32679    42.65237
    7     5 S   CO3  _C1_     7     1.53787   112.25336   -77.60071
    8     7 S   O2Z  _O11     8     1.26335   115.07876   -47.85414
    9     7 S   O2Z  _O12     9     1.26227   114.91312   131.55231
   10     5 S   CT   _CB1    10     1.53077   107.40528   160.43876
   11    10 S   HC   HB11    11     1.09822   109.39444   -52.63766
   12    10 S   HC   HB12    12     1.09720   110.30308    63.72224
   13    10 S   CT   _CG1    13     1.53028   112.73963  -173.83156
   14    13 S   HC   HG11    14     1.09600   110.41750   -60.91892
   15    13 S   HC   HG12    15     1.09634   110.04192    58.29641
   16    13 S   C    _CD1    16     1.51823   112.31357   178.77699
   17    16 S   O    _OE1    17     1.22729   123.18807    -5.07860
   18    16 S   N    _N2_    18     1.38661   111.65263   174.92939
   19    18 S   H    _HN2    19     1.01598   118.99044     1.05518
   20    18 S   CT1  _CA2    20     1.46318   123.48097  -178.67795
   21    20 S   HC   _HA2    21     1.09743   109.22911   -14.66883
   22    20 S   C    _C2_    22     1.53419   108.36797  -130.28845
   23    22 S   O    _O2_    23     1.23008   122.24684  -146.35912
   24    20 S   CT   _CB2    32     1.53536   111.52912   107.38269
   25    24 S   HC   HB21    33     1.09577   109.79641    55.19313
   26    24 S   HC   HB22    34     1.09506   110.56479   174.32656
   27    22 S   N    _N3_    24     1.38513   113.34422    41.05431
   28    27 S   H    _HN3    25     1.01529   118.90725    -0.65819
   29    24 S   S    _SG2    35     1.82376   111.51921   -65.80328
   30    27 S   CT   _CA3    26     1.45458   123.49481   175.03943
   31    30 S   HC   HA31    27     1.09520   109.28722    23.22651
   32    30 S   HC   HA32    28     1.09497   107.10352   140.25097
   33    29 S   CT   _C19    36     1.81389    99.35625   172.22393
   34    33 S   F    F1__    37     1.35904   109.71371    65.82990
   35    33 S   F    F2__    38     1.35838   110.65636   -51.35872
   36    30 S   CO3  _C3_    29     1.52931   113.10773  -100.28013
   37    36 S   O2Z  _O31    30     1.26405   115.41432   -43.73415
   38    36 S   O2Z  _O32    31     1.26357   114.97381   137.19728
   39    33 S   CT   _C18    39     1.52500   111.77525  -173.35958
   40    39 S   HC   _H16    40     1.09795   109.55520   -59.04348
   41    39 S   HC   _H17    41     1.09595   109.13011  -176.23043
   42    39 S   OS   _O34    42     1.43395   109.58196    66.68277
   43    42 S   CA   _C6_    43     1.37043   115.07549  -130.27595
   44    43 S   CA   _C7_    44     1.39298   121.63041   -47.99089
   45    44 S   HA   _H6_    45     1.08514   121.65401    -0.28393
   46    44 S   CA   _C8_    46     1.38251   118.65531   179.82983
   47    46 S   HA   _H7_    47     1.08209   123.56690  -179.05976
   48    46 S   NAP  _N4_    48     1.33741   120.35496     0.58484
   49    48 S   H    _H8_    49     1.02078   117.93697  -178.13701
   50    48 S   CA   _C9_    50     1.34856   123.33089     1.38903
   51    43 S   CA   _C5_    51     1.40548   117.90483   134.70668
   52    50 S   CT   _C10    56     1.49955   116.40481  -178.12999
   53    52 S   HC   _H9_    57     1.09277   111.68487  -152.37031
   54    52 S   HC   _H10    58     1.09602   109.55569   -33.45820
   55    51 S   CT   _C4_    52     1.50494   121.33647    -0.19683
   56    55 S   HC   _H3_    53     1.09441   110.00647   121.60854
   57    55 S   HC   _H4_    54     1.09346   110.13801  -117.39403
   58    55 S   HC   _H5_    55     1.09361   112.94596     2.60218
   59    52 S   SZ   _S1_    59     1.82387   110.39975    85.87264
   60    59 S   OZ   _O33    60     1.50124   107.52806   -63.44797
   61    59 S   CRA  _C11    61     1.73314    97.56718  -173.03638
   62    61 S   N5B  _N6_    62     1.31592   124.26191   -53.34442
   63    61 S   NA   _N5_    73     1.37050   124.14615   127.93761
   64    63 S   H    _H11    74     1.01142   125.84994    -0.60587
   65    62 S   C56B _C17    63     1.37608   105.20476   179.43352
   66    65 S   CA   _C16    64     1.40441   129.87415  -178.99751
   67    66 S   HA   _H15    65     1.08513   120.96763     0.59413
   68    66 S   CA   _C15    66     1.40033   118.46993  -179.57849
   69    68 S   HA   _H14    67     1.08721   119.46721  -179.91607
   70    68 S   CA   _C14    68     1.39701   120.96473     0.00000
   71    70 S   HA   _H13    69     1.08757   119.40525  -179.96574
   72    70 S   CA   _C13    70     1.39908   121.29865    -0.05595
   73    72 S   HA   _H12    71     1.08427   121.35931  -179.89913
   74    65 S   C56A _C12    72     1.39106   110.85930     1.33060
  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   7   5   4   3
   7   5   4   2   1   1   6   3   2   7  12   8   4   6   3   8
   3  11   8   8   4   3   3   2   1   1   7   3   7   8   7   3
   8   7   4   6   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    51  
   41    42    43  
   42    43  
   43    44    45    46    50    51    55  
   44    45    46    47    48    50    51    55    56    57    58    52  
   45    46    47    48    49    50    51    55  
   46    47    48    51  
   47    48    49    50    51    52  
   48    49    50  
   49    50    51    55    52    53    54    59  
   50    51    52  
   51    55    56    57    58    52    53    54    59    60    61  
   55    56    57    58    52    53    54    59  
   53    54    59    60    61    62    63    55  
   54    59    60    61  
   59    60    61  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    65    74    63    64  
   61    62    63  
   62    65    66    72    74    63    64  
   65    66    67    68    72    74    63    64  
   64    65    66    70    72    73    74  
   65    72    74  
   66    67    68    69    70    72    73    74  
   67    68    69    70    71    72    74  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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  -0.175000   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   3.2500   0.0620   0.247500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.417200   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.132600   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.182700   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   49   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.150700   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5600   0.3950   0.307500   2.0080   1.7800   0.025682759  -1.666211680
   60   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   61   3.5500   0.0700   0.486300   2.5000   1.7750   0.001000000  -0.843144165
   62   3.2800   0.1700  -0.678700   1.8000   1.6000   0.001000000  -0.511443539
   63   3.2500   0.1700  -0.625700   1.8000   1.6000   0.001000000  -0.511443539
   64   0.5000   0.0300   0.407200   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.498200   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.369600   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.209100   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.151400   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.181700   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.160700   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.329000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.198400   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.229900   2.5000   1.7750   0.001000000  -0.843144165
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   320.000  1.410
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    51   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   485.000  1.342
   48    49   475.000  1.020
   48    50   485.000  1.342
   50    51   469.000  1.400
   50    52   317.000  1.510
   51    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   340.000  1.853
   59    60   700.000  1.530
   59    61   200.000  1.819
   61    62   488.000  1.335
   61    63   477.000  1.343
   62    65   425.000  1.391
   65    66   469.000  1.404
   65    74   447.000  1.419
   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   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    63   428.000  1.380
   63    64   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    50.00000  109.50000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    42    43    75.00000  111.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    51    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    51    50    63.00000  120.00000
   43    51    55    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  119.29800
   46    44    45    35.00000  120.00000
   46    48    49    45.00000  117.56800
   46    48    50    70.00000  123.81700
   48    46    47    45.00000  112.84900
   48    50    51    70.00000  119.29800
   48    50    52    70.00000  116.21300
   50    48    49    45.00000  117.56800
   50    51    55    70.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    59    75.00000  109.00000
   51    43    44    63.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    50    51    70.00000  120.00000
   52    59    60    74.00000  107.00000
   52    59    61   100.00000   94.18000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   59    61    62    70.00000  123.12000
   59    61    63    70.00000  118.96000
   61    59    60   105.00000  104.25000
   61    62    65    95.00000  105.97700
   61    63    74    90.00000  105.79800
   61    63    64    35.00000  120.00000
   62    65    66    60.00000  127.02500
   62    65    74    80.00000  112.17400
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    74    72    85.00000  122.70000
   65    74    63    70.00000  104.40000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    85.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    63    70.00000  132.80000
   74    65    66    85.00000  116.20000
   74    72    73    35.00000  120.00000
   74    63    64    35.00000  123.10000
   63    61    62    70.00000  120.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.32850  1.0 1.0
   33    39    42    43  -0.35800 -1.0 2.0
   33    39    42    43   0.33950  1.0 3.0
   34    33    39    40   0.22100  1.0 3.0
   34    33    39    41   0.22100  1.0 3.0
   34    33    39    42   0.51850  1.0 1.0
   34    33    39    42  -0.72850 -1.0 2.0
   35    33    39    40   0.22100  1.0 3.0
   35    33    39    41   0.22100  1.0 3.0
   35    33    39    42   0.51850  1.0 1.0
   35    33    39    42  -0.72850 -1.0 2.0
   39    42    43    44   1.63200 -1.0 2.0
   39    42    43    51   1.63200 -1.0 2.0
   40    39    42    43   0.08050  1.0 3.0
   41    39    42    43   0.08050  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    51    50   3.62500 -1.0 2.0
   42    43    51    55   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    51    55    56   0.00000  1.0 1.0
   43    51    55    57   0.00000  1.0 1.0
   43    51    55    58   0.00000  1.0 1.0
   44    43    51    50   3.62500 -1.0 2.0
   44    43    51    55   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   44    46   -48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   46    48    50    52   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50   -51    43   3.62500 -1.0 2.0
   48    50    51    55   3.62500 -1.0 2.0
   48    50    52    53   0.00000  1.0 1.0
   48    50    52    54   0.00000  1.0 1.0
   48    50    52    59   0.04300 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    57   0.00000  1.0 1.0
   50    51    55    58   0.00000  1.0 1.0
   50    52    59    60   0.00000  1.0 1.0
   50    52    59    61   0.00000  1.0 1.0
   51    43    44    45   3.62500 -1.0 2.0
   51    43   -44    46   3.62500 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    59   0.04300 -1.0 2.0
   52    50    51    43   3.62500 -1.0 2.0
   52    50    51    55   3.62500 -1.0 2.0
   52    59    61    62   0.00000  1.0 1.0
   52    59    61    63   0.00000  1.0 1.0
   53    52    59    60  -0.07200  1.0 3.0
   53    52    59    61   0.00000  1.0 1.0
   54    52    59    60  -0.07200  1.0 3.0
   54    52    59    61   0.00000  1.0 1.0
   59    61    62    65   3.62500 -1.0 2.0
   59    61    63    74   3.62500 -1.0 2.0
   59    61    63    64   2.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   61    62    65    66   3.62500 -1.0 2.0
   61    62   -65    74   3.62500 -1.0 2.0
   62    61   -63    74   3.62500 -1.0 2.0
   62    61    63    64   2.32500 -1.0 2.0
   62    65    66    67   3.62500 -1.0 2.0
   62    65    66    68   3.62500 -1.0 2.0
   62    65    74    72   3.62500 -1.0 2.0
   62    65   -74    63   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   65    74   -63    61   3.62500 -1.0 2.0
   65    74    63    64   1.52500 -1.0 2.0
   66    65    74    72   3.00000 -1.0 2.0
   66    65    74    63   3.00000 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   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    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    65   3.62500 -1.0 2.0
   70    72    74    63   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    63    61   3.62500 -1.0 2.0
   72    74    63    64   1.52500 -1.0 2.0
   73    72    74    65   3.62500 -1.0 2.0
   73    72    74    63   3.62500 -1.0 2.0
   74    65    66    67   3.50000 -1.0 2.0
   74    65   -66    68   3.50000 -1.0 2.0
   63    61   -62    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
   37    30    36    38  10.50000 -1.0 2.0
   44    51    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    46    48    50   1.00000 -1.0 2.0
   51    52    50    48   4.00000 -1.0 2.0
   50    55    51    43   4.00000 -1.0 2.0
   62    63    61    59   4.00000 -1.0 2.0
   66    74    65    62   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    63    74    65   4.00000 -1.0 2.0
   64    61    63    74   1.00000 -1.0 2.0
END
