* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    143    225     422
    1     0 S   NP   _N1_     1    29.61533    93.25533   -24.37781
    2     1 S   H    _HN1     2     1.02786   103.12981  -109.02488
    3     1 S   H    _H1_     3     1.02948    95.33272     1.22109
    4     1 S   H    _H2_     4     1.02829    15.56466   141.28906
    5     1 S   CT   _CA1     5     1.50105   125.48716   121.03581
    6     5 S   HC   _HA1     6     1.09570   105.24334    65.06484
    7     5 S   CO3  _C1_     7     1.53821   112.29032   -55.26289
    8     7 S   O2Z  _O11     8     1.26380   115.02360   -46.23666
    9     7 S   O2Z  _O12     9     1.26236   114.92520   132.80770
   10     5 S   CT   _CB1    10     1.53041   107.40810  -176.95078
   11    10 S   HC   HB11    11     1.09832   109.50491   -49.35905
   12    10 S   HC   HB12    12     1.09831   110.41695    67.25628
   13    10 S   CT   _CG1    13     1.52993   112.56841  -170.33374
   14    13 S   HC   HG11    14     1.09590   110.54129   -61.89346
   15    13 S   HC   HG12    15     1.09640   110.00784    57.45420
   16    13 S   C    _CD1    16     1.51689   112.03738   177.89179
   17    16 S   O    _OE1    17     1.22734   123.20401    -0.53376
   18    16 S   N    _N2_    18     1.38671   111.79424   179.54030
   19    18 S   H    _HN2    19     1.01562   119.09503     3.85605
   20    18 S   CT1  _CA2    20     1.46003   123.17513  -177.67173
   21    20 S   HC   _HA2    21     1.09548   108.97680     7.34524
   22    20 S   C    _C2_    22     1.53554   109.70256  -107.77997
   23    22 S   O    _O2_    23     1.23100   122.02151  -150.52374
   24    20 S   CT   _CB2    32     1.53630   111.87240   129.32671
   25    24 S   HC   HB21    33     1.09678   109.27707    70.62158
   26    24 S   HC   HB22    34     1.09519   110.59765  -172.78425
   27    22 S   N    _N3_    24     1.38255   114.00339    36.97668
   28    27 S   H    _HN3    25     1.01561   119.65992    -3.29539
   29    24 S   S    _SG2    35     1.83317   115.50396   -48.34923
   30    27 S   CT   _CA3    26     1.45288   123.14212   176.92197
   31    30 S   HC   HA31    27     1.09552   107.50755   -64.39545
   32    30 S   HC   HA32    28     1.09559   107.97236    52.02109
   33    29 S   CT   _C17    36     1.87032   101.23670   -66.04309
   34    33 S   HC   _H5_    37     1.08400   103.85180    30.78981
   35    30 S   CO3  _C3_    29     1.52944   114.14346   174.04162
   36    35 S   O2Z  _O31    30     1.26365   116.09633    -0.26541
   37    35 S   O2Z  _O32    31     1.26438   114.40399   179.80517
   38    33 S   CT   _C16    38     1.54632   106.36705   -84.95839
   39    38 S   HC   _H23    39     1.09873   108.88813    43.92605
   40    38 S   HC   _H24    40     1.09653   110.44848   -71.22924
   41    33 S   CT   _C5_    60     1.56616   110.09459   146.36803
   42    38 S   CT   _C15    41     1.52709   117.49571   163.69999
   43    42 S   HC   _H21    42     1.09754   109.30330  -169.12427
   44    42 S   HC   _H22    43     1.08985   112.47416    74.96779
   45    41 S   CT   _C4_    61     1.54359   112.07740    65.17329
   46    45 S   HC   _H6_    62     1.09410   112.21542   -57.20220
   47    45 S   HC   _H7_    63     1.09692   110.76611  -174.44483
   48    45 S   HC   _H8_    64     1.09409   111.83520    65.34887
   49    41 S   OH   _O34    65     1.43999   107.61985   -52.56986
   50    49 S   HO   _H25    66     0.97249   108.37477   175.99523
   51    42 S   CO4  _C14    44     1.51567   112.35627   -50.46875
   52    51 S   O    _O33    45     1.23719   119.02846   -69.46183
   53    51 S   C4T  _C9_    46     1.56027   117.11180   109.28015
   54    53 S   HC   _H4_    47     1.09959   110.95355    42.23278
   55    53 S   C4T  _C10    48     1.55438   116.70223   170.46100
   56    55 S   HC   _H13    49     1.09475   114.85839  -100.78062
   57    55 S   HC   _H14    50     1.09696   114.19358    24.46521
   58    53 S   C4T  _C8_    52     1.56165   116.73775   -87.98380
   59    58 S   HC   _H3_    53     1.09758   111.13619   -29.84249
   60    55 S   C4T  _C11    51     1.55271    89.10344   140.58636
   61    58 S   CT   _C7_    54     1.52498   120.22355    98.60405
   62    61 S   HC   _H11    55     1.09631   109.47813  -175.44383
   63    61 S   HC   _H12    56     1.09598   109.51268    69.15557
   64    61 S   CT   _C6_    57     1.53515   115.62142   -50.05856
   65    64 S   HC   _H9_    58     1.08924   110.38975    59.20022
   66    64 S   HC   _H10    59     1.10121   103.76239   170.11899
   67    60 S   CT   _C12    67     1.52855   113.74196  -135.51152
   68    67 S   HC   _H15    68     1.09532   110.74005   169.45115
   69    67 S   HC   _H16    69     1.09560   111.72105    49.46342
   70    67 S   HC   _H17    70     1.09536   110.96333   -70.49117
   71    60 S   CT   _C13    71     1.53064   112.09166    97.87248
   72    71 S   HC   _H18    72     1.09528   110.96099  -171.97963
   73    71 S   HC   _H19    73     1.09576   110.74062    68.54025
   74    71 S   HC   _H20    74     1.09512   111.98415   -51.29668
  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  10   5   4   3
  19   8   2   1   1  12   6   5  14   8   4   3   9   4   3   2
   5   1  10   4  13   7  14   5   4  16   7  12   7   4   3   2
   1   1   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    64    41    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    51    61    64    65    66    41    45    46    47    48    49    50  
   38    39    40    42    64    41    45    49  
   36    37  
   37  
    0  
   39    40    42    43    44    51    52    53    64    41    45    49  
   40    42    43    44    51    41  
   42    43    44    51    41  
   45    46    47    48    49    50    42    58    61    62    63    64    65    66  
   43    44    51    52    53    54    55    58  
   44    51    52    53  
   51    52    53  
   46    47    48    49    50    61    64    65    66  
   47    48    49    64  
   48    49    64  
   49    64  
   50    61    64    65    66  
   64  
   52    53    54    55    56    57    60    58    59    61  
   53    54    55    58  
   54    55    56    57    60    58    59    61    62    63    64    67    71  
   55    56    57    60    58    59    61  
   56    57    60    58    59    61    67    68    69    70    71    72    73    74  
   57    60    58    67    71  
   60    58    67    71  
   59    61    62    63    64    65    66    67    68    69    70    71    72    73    74    60  
   61    62    63    64    67    71    60  
   61    62    63    64    67    68    69    70    71    72    73    74  
   62    63    64    65    66    67    71  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   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  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.447300   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.037300   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   317.000  1.522
   51    52   570.000  1.229
   51    53   265.000  1.493
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    58   268.000  1.529
   60    67   260.000  1.519
   60    71   260.000  1.519
   58    59   340.000  1.090
   58    61   260.000  1.519
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    41   268.000  1.529
   41    45   268.000  1.529
   41    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    64    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    51    63.00000  111.10000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    51    52    80.00000  120.40000
   42    51    53    70.00000  116.00000
   44    42    43    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    44    35.00000  109.50000
   51    53    54    40.00000  111.84800
   51    53    55    80.00000  115.07000
   51    53    58    80.00000  115.07000
   53    51    52    65.00000  127.62700
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    63.00000   92.00000
   53    58    60    63.00000   92.00000
   53    58    59    37.50000  110.70000
   53    58    61    65.00000  119.52000
   55    53    54    37.50000  110.70000
   55    60    58    63.00000   92.00000
   55    60    67    65.00000  119.52000
   55    60    71    65.00000  119.52000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    58    61    65.00000  119.52000
   60    67    68    45.00000  111.22300
   60    67    69    45.00000  111.22300
   60    67    70    45.00000  111.22300
   60    71    72    45.00000  111.22300
   60    71    73    45.00000  111.22300
   60    71    74    45.00000  111.22300
   58    53    54    37.50000  110.70000
   58    53    55    63.00000   92.00000
   58    61    62    45.00000  111.22300
   58    61    63    45.00000  111.22300
   58    61    64    70.00000  112.98000
   61    58    59    45.00000  112.72800
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    41    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    41    45    58.35000  112.70000
   64    41    49    50.00000  109.50000
   66    64    65    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    64    65    37.50000  110.70000
   41    64    66    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    50.00000  109.50000
   67    60    58    65.00000  119.52000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    60    58    65.00000  119.52000
   71    60    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    64   0.44750  1.0 1.0
   29    33    41    64  -0.17800 -1.0 2.0
   29    33    41    64   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    51  -0.95700  1.0 1.0
   33    38    42    51  -0.18200 -1.0 2.0
   33    38    42    51   0.29450  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    64   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    64   0.56750  1.0 1.0
   38    33    41    64  -0.07550 -1.0 2.0
   38    33    41    64   0.20000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    42    51    52   0.30150 -1.0 2.0
   38    42    51    53   0.60050  1.0 1.0
   38    42    51    53   0.05600 -1.0 2.0
   38    42    51    53   0.26150  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    51  -0.11250  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    51  -0.11250  1.0 3.0
   42    51    53    54   0.00000  1.0 1.0
   42    51    53    55   0.60050  1.0 1.0
   42    51    53    55   0.05600 -1.0 2.0
   42    51    53    55   0.26150  1.0 3.0
   42    51    53    58   0.60050  1.0 1.0
   42    51    53    58   0.05600 -1.0 2.0
   42    51    53    58   0.26150  1.0 3.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53   0.00000  1.0 1.0
   44    42    51    52   0.00000  1.0 1.0
   44    42    51    53   0.00000  1.0 1.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    57   0.15000  1.0 3.0
   51    53    55    60   0.00000  1.0 1.0
   51    53   -58    60   0.00000  1.0 1.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    61  -0.95700  1.0 1.0
   51    53    58    61  -0.18200 -1.0 2.0
   51    53    58    61   0.29450  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55  -0.11250  1.0 1.0
   52    51    53    55   0.11400 -1.0 2.0
   52    51    53    55  -0.28950  1.0 3.0
   52    51    53    58  -0.11250  1.0 1.0
   52    51    53    58   0.11400 -1.0 2.0
   52    51    53    58  -0.28950  1.0 3.0
   53    55   -60    58   0.00000  1.0 1.0
   53    55    60    67  -0.70950  1.0 1.0
   53    55    60    67   0.38400 -1.0 2.0
   53    55    60    71  -0.70950  1.0 1.0
   53    55    60    71   0.38400 -1.0 2.0
   53    58    61    62   0.00000  1.0 1.0
   53    58    61    63   0.00000  1.0 1.0
   53    58    61    64   0.04050  1.0 1.0
   53    58    61    64   0.63700 -1.0 2.0
   53    58    61    64   0.17650  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    60   0.15000  1.0 3.0
   54    53   -58    60   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53   -58    60   0.00000  1.0 1.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    61  -0.70950  1.0 1.0
   55    53    58    61   0.38400 -1.0 2.0
   55    60   -58    53   0.00000  1.0 1.0
   55    60   -58    59   0.15000  1.0 3.0
   55    60   -58    61  -0.70950  1.0 1.0
   55    60   -58    61   0.38400 -1.0 2.0
   55    60    67    68   0.00000  1.0 1.0
   55    60    67    69   0.00000  1.0 1.0
   55    60    67    70   0.00000  1.0 1.0
   55    60    71    72   0.00000  1.0 1.0
   55    60    71    73   0.00000  1.0 1.0
   55    60    71    74   0.00000  1.0 1.0
   56    55    60    58   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   56    55    60    71   0.15000  1.0 3.0
   57    55    60    58   0.15000  1.0 3.0
   57    55    60    67   0.15000  1.0 3.0
   57    55    60    71   0.15000  1.0 3.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    63   0.00000  1.0 1.0
   60    58    61    64   0.04050  1.0 1.0
   60    58    61    64   0.63700 -1.0 2.0
   60    58    61    64   0.17650  1.0 3.0
   58    53   -55    56   0.15000  1.0 3.0
   58    53   -55    57   0.15000  1.0 3.0
   58    53   -55    60   0.00000  1.0 1.0
   58    60    67    68   0.00000  1.0 1.0
   58    60    67    69   0.00000  1.0 1.0
   58    60    67    70   0.00000  1.0 1.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   58    60    71    74   0.00000  1.0 1.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    41   0.31550 -1.0 2.0
   58    61    64    41   0.11250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   61    64    41    33   0.56750  1.0 1.0
   61    64    41    33  -0.07550 -1.0 2.0
   61    64    41    33   0.20000  1.0 3.0
   61    64    41    45   0.56750  1.0 1.0
   61    64    41    45  -0.07550 -1.0 2.0
   61    64    41    45   0.20000  1.0 3.0
   61    64    41    49   0.86500  1.0 1.0
   61    64    41    49  -0.17500 -1.0 2.0
   61    64    41    49   0.20800  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    41   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    41   0.15000  1.0 3.0
   64    41    45    46   0.15000  1.0 3.0
   64    41    45    47   0.15000  1.0 3.0
   64    41    45    48   0.15000  1.0 3.0
   64    41    49    50  -0.11600  1.0 1.0
   64    41    49    50  -0.09450 -1.0 2.0
   64    41    49    50   0.21250  1.0 3.0
   65    64    41    33   0.15000  1.0 3.0
   65    64    41    45   0.15000  1.0 3.0
   65    64    41    49   0.23400  1.0 3.0
   66    64    41    33   0.15000  1.0 3.0
   66    64    41    45   0.15000  1.0 3.0
   66    64    41    49   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50  -0.11600  1.0 1.0
   45    41    49    50  -0.09450 -1.0 2.0
   45    41    49    50   0.21250  1.0 3.0
   49    41    45    46   0.23400  1.0 3.0
   49    41    45    47   0.23400  1.0 3.0
   49    41    45    48   0.23400  1.0 3.0
   67    60   -58    53  -0.70950  1.0 1.0
   67    60   -58    53   0.38400 -1.0 2.0
   67    60    58    59   0.15000  1.0 3.0
   67    60    58    61   0.56750  1.0 1.0
   67    60    58    61  -0.07550 -1.0 2.0
   67    60    58    61   0.20000  1.0 3.0
   67    60    71    72   0.15000  1.0 3.0
   67    60    71    73   0.15000  1.0 3.0
   67    60    71    74   0.15000  1.0 3.0
   71    60   -58    53  -0.70950  1.0 1.0
   71    60   -58    53   0.38400 -1.0 2.0
   71    60    58    59   0.15000  1.0 3.0
   71    60    58    61   0.56750  1.0 1.0
   71    60    58    61  -0.07550 -1.0 2.0
   71    60    58    61   0.20000  1.0 3.0
   71    60    67    68   0.15000  1.0 3.0
   71    60    67    69   0.15000  1.0 3.0
   71    60    67    70   0.15000  1.0 3.0
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
   42    53    51    52  10.50000 -1.0 2.0
END
