* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    132    197     389
    1     0 S   NP   _N1_     1    29.00398    93.54427   -19.86294
    2     1 S   H    _HN1     2     1.02966   105.55778    39.35647
    3     1 S   H    _H1_     3     1.02838    29.11158   136.62112
    4     1 S   H    _H2_     4     1.02778    81.27489   -67.32370
    5     1 S   CT   _CA1     5     1.50105   134.10331  -179.91153
    6     5 S   HC   _HA1     6     1.09569   105.31206    38.36505
    7     5 S   CO3  _C1_     7     1.53867   112.20124   -81.98419
    8     7 S   O2Z  _O11     8     1.26354   115.03645   -47.24372
    9     7 S   O2Z  _O12     9     1.26237   114.90372   131.93697
   10     5 S   CT   _CB1    10     1.53076   107.41790   156.31787
   11    10 S   HC   HB11    11     1.09814   109.53223   -50.06421
   12    10 S   HC   HB12    12     1.09844   110.33532    66.48363
   13    10 S   CT   _CG1    13     1.53041   112.64153  -171.25520
   14    13 S   HC   HG11    14     1.09526   110.24943   -56.28912
   15    13 S   HC   HG12    15     1.09592   110.38662    62.71741
   16    13 S   C    _CD1    16     1.51808   111.49319  -177.45693
   17    16 S   O    _OE1    17     1.22774   122.81478   -26.90468
   18    16 S   N    _N2_    18     1.38524   112.10848   153.97942
   19    18 S   H    _HN2    19     1.01580   119.16095     1.57768
   20    18 S   CT1  _CA2    20     1.46102   123.39003  -176.98325
   21    20 S   HC   _HA2    21     1.09734   109.36556   -15.60412
   22    20 S   C    _C2_    22     1.53427   108.07933  -131.22468
   23    22 S   O    _O2_    23     1.23006   122.34584  -144.80079
   24    20 S   CT   _CB2    32     1.53598   111.60111   106.54089
   25    24 S   HC   HB21    33     1.09598   110.11504    54.79917
   26    24 S   HC   HB22    34     1.09437   109.58160   172.91878
   27    22 S   N    _N3_    24     1.38539   113.29221    42.53448
   28    27 S   H    _HN3    25     1.01532   118.91766    -0.52039
   29    24 S   S    _SG2    35     1.82806   112.10730   -67.12993
   30    27 S   CT   _CA3    26     1.45440   123.36286   175.07006
   31    30 S   HC   HA31    27     1.09530   109.12316    26.51325
   32    30 S   HC   HA32    28     1.09492   107.14920   143.50800
   33    29 S   CM   _C7_    36     1.76862   100.87181   167.74166
   34    30 S   CO3  _C3_    29     1.52935   113.20341   -96.87710
   35    34 S   O2Z  _O31    30     1.26395   115.45253   -43.29505
   36    34 S   O2Z  _O32    31     1.26362   114.94942   137.64439
   37    33 S   CM   _C8_    37     1.37441   123.22061  -110.04648
   38    33 S   CT   _C6_    64     1.52584   111.73626    72.06629
   39    38 S   HC   _H7_    65     1.09246   111.99237  -152.84028
   40    38 S   HC   _H8_    66     1.09552   111.25962   -36.39220
   41    37 S   CT   _C13    38     1.58431   125.63048     5.06345
   42    38 S   CO4  _C5_    67     1.52771   112.81275    83.63246
   43    42 S   O    _O33    68     1.23031   123.57360    -5.82134
   44    41 S   CT   _C12    39     1.56260   112.27931   161.64539
   45    44 S   HC   _H11    40     1.09784   108.21779   -69.28173
   46    44 S   HC   _H12    41     1.09938   109.74256   176.35170
   47    41 S   CT   _C14    56     1.54580   110.07690   -77.15156
   48    47 S   HC   _H13    57     1.09646   110.92344  -174.79113
   49    47 S   HC   _H14    58     1.09432   112.04027    65.95335
   50    47 S   HC   _H15    59     1.09350   112.42895   -54.43717
   51    41 S   CT   _C15    60     1.55275   114.25356    44.89583
   52    51 S   HC   _H16    61     1.09751   111.54158   159.43055
   53    51 S   HC   _H17    62     1.09527   111.47464    39.91488
   54    51 S   HC   _H18    63     1.09017   112.65552   -83.49792
   55    42 S   CT   _C4_    69     1.50746   115.73922   174.93337
   56    55 S   HC   _H4_    70     1.09270   109.56296    60.60313
   57    55 S   HC   _H5_    71     1.09352   109.73922  -179.87805
   58    55 S   HC   _H6_    72     1.09277   109.56557   -60.46346
   59    44 S   CT   _C11    42     1.52073   116.06135    52.62719
   60    59 S   HC   _H3_    43     1.09651   108.38561  -149.10531
   61    59 S   CT   _C10    44     1.51483   113.06935   -26.80300
   62    61 S   HC   _H9_    45     1.09933   110.54287    94.75209
   63    61 S   HC   _H10    46     1.09963   108.60271  -152.97462
   64    59 S   OH   _O34    54     1.42629   109.40262    95.17867
   65    64 S   HO   _H19    55     0.97245   107.60496   178.53941
   66    37 S   CT   _C9_    47     1.56412   121.29752  -172.77583
   67    66 S   CT   _C16    48     1.53708   111.44962   -87.79287
   68    67 S   HC   _H20    49     1.09654   110.62534  -179.87180
   69    67 S   HC   _H21    50     1.09537   111.22018    62.73278
   70    67 S   HC   _H22    51     1.09162   113.47231   -58.52519
   71    66 S   OH   _O35    52     1.43663   110.99249    31.22035
   72    71 S   HO   _H23    53     0.97243   108.46765  -176.69891
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  15   2   1   1  27  10   4   3  18   5   4  18   7   6   9   3
   2   1   5   2   1   1   3   2   1   1   9   6  11   5   4   2
   1   6   5   3   2   1   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    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    66    38    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    61    66    67    71    47    51    38    39    40    42    43    55  
   35    36  
   36  
    0  
   41    44    45    46    59    61    62    63    66    67    68    69    70    71    72    47    48    49    50    51    52    53    54    38    39    40    42  
   39    40    42    43    55    56    57    58    41    66  
   40    42    43    55  
   42    43    55  
   44    45    46    59    60    61    66    67    71    64    47    48    49    50    51    52    53    54  
   43    55    56    57    58  
   55    56    57    58  
   45    46    59    60    61    62    63    66    64    65    47    48    49    50    51    52    53    54  
   46    59    60    61    64    47    51  
   59    60    61    64    47    51  
   48    49    50    51    52    53    54    59    66  
   49    50    51  
   50    51  
   51  
   52    53    54    59    66  
   53    54  
   54  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    66    67    71    64    65  
   61    62    63    66    64    65  
   62    63    66    67    68    69    70    71    72    64    65  
   63    66    67    71    64  
   66    67    71    64  
   65    66  
    0  
   67    68    69    70    71    72  
   68    69    70    71    72  
   69    70    71  
   70    71  
   71  
   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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   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   240.000  1.763
   33    37   549.000  1.340
   33    38   317.000  1.510
   37    41   317.000  1.510
   37    66   317.000  1.510
   41    44   268.000  1.529
   41    47   268.000  1.529
   41    51   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   268.000  1.529
   66    71   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   64    65   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    38    65.00000  117.37300
   33    37    41    70.00000  124.00000
   33    37    66    70.00000  124.00000
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    42    70.00000  109.06800
   37    41    44    70.00000  112.02700
   37    41    47    70.00000  112.02700
   37    41    51    70.00000  112.02700
   37    66    61    70.00000  112.02700
   37    66    67    70.00000  112.02700
   37    66    71    90.00000  110.39200
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    59    58.35000  112.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   41    51    52    37.50000  110.70000
   41    51    53    37.50000  110.70000
   41    51    54    37.50000  110.70000
   44    59    60    37.50000  110.70000
   44    59    61    58.35000  112.70000
   44    59    64    50.00000  109.50000
   46    44    45    33.00000  107.80000
   59    44    45    37.50000  110.70000
   59    44    46    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    66    58.35000  112.70000
   59    64    65    55.00000  108.50000
   61    59    60    37.50000  110.70000
   61    66    67    58.35000  112.70000
   61    66    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   66    37    41    65.00000  117.92700
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    70    37.50000  110.70000
   66    71    72    55.00000  108.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    66    67    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    59    61    50.00000  109.50000
   47    41    44    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    41    44    58.35000  112.70000
   51    41    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   38    33    37    70.00000  124.00000
   38    42    43    80.00000  120.40000
   38    42    55    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    55    56    35.00000  109.50000
   42    55    57    35.00000  109.50000
   42    55    58    35.00000  109.50000
   55    42    43    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    41   7.00000 -1.0 2.0
   29    33    37    66   7.00000 -1.0 2.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   33    37    41    44   0.09850  1.0 1.0
   33    37    41    44   0.15250 -1.0 2.0
   33    37    41    44  -0.50650  1.0 3.0
   33    37    41    47   0.09850  1.0 1.0
   33    37    41    47   0.15250 -1.0 2.0
   33    37    41    47  -0.50650  1.0 3.0
   33    37    41    51   0.09850  1.0 1.0
   33    37    41    51   0.15250 -1.0 2.0
   33    37    41    51  -0.50650  1.0 3.0
   33    37    66    61   0.09850  1.0 1.0
   33    37    66    61   0.15250 -1.0 2.0
   33    37    66    61  -0.50650  1.0 3.0
   33    37    66    67   0.09850  1.0 1.0
   33    37    66    67   0.15250 -1.0 2.0
   33    37    66    67  -0.50650  1.0 3.0
   33    37    66    71   0.67800  1.0 1.0
   33    37    66    71   0.47050 -1.0 2.0
   33    37    66    71  -0.62500  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    55   0.65300  1.0 1.0
   33    38    42    55  -0.03850 -1.0 2.0
   33    38    42    55   0.33900  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    40   0.00000  1.0 1.0
   37    33    38    42  -0.51250  1.0 1.0
   37    33    38    42  -0.88800 -1.0 2.0
   37    33    38    42   0.08850  1.0 3.0
   37    41    44    45   0.15000  1.0 3.0
   37    41    44    46   0.15000  1.0 3.0
   37    41    44    59   0.34400  1.0 1.0
   37    41    44    59   0.09450 -1.0 2.0
   37    41    44    59   0.11100  1.0 3.0
   37    41    47    48   0.15000  1.0 3.0
   37    41    47    49   0.15000  1.0 3.0
   37    41    47    50   0.15000  1.0 3.0
   37    41    51    52   0.15000  1.0 3.0
   37    41    51    53   0.15000  1.0 3.0
   37    41    51    54   0.15000  1.0 3.0
   37    66    67    68   0.15000  1.0 3.0
   37    66    67    69   0.15000  1.0 3.0
   37    66    67    70   0.15000  1.0 3.0
   37    66    71    72  -0.07800  1.0 1.0
   37    66    71    72  -0.21500 -1.0 2.0
   37    66    71    72  -0.03150  1.0 3.0
   41    37    66    61   0.46850  1.0 1.0
   41    37    66    61   0.08550 -1.0 2.0
   41    37    66    61   0.09800  1.0 3.0
   41    37    66    67   0.46850  1.0 1.0
   41    37    66    67   0.08550 -1.0 2.0
   41    37    66    67   0.09800  1.0 3.0
   41    37    66    71   0.18000  1.0 1.0
   41    37    66    71   0.16450 -1.0 2.0
   41    37    66    71   0.04450  1.0 3.0
   41    44    59    60   0.15000  1.0 3.0
   41    44   -59    61   0.56750  1.0 1.0
   41    44   -59    61  -0.07550 -1.0 2.0
   41    44   -59    61   0.20000  1.0 3.0
   41    44    59    64   0.86500  1.0 1.0
   41    44    59    64  -0.17500 -1.0 2.0
   41    44    59    64   0.20800  1.0 3.0
   44    41    47    48   0.15000  1.0 3.0
   44    41    47    49   0.15000  1.0 3.0
   44    41    47    50   0.15000  1.0 3.0
   44    41    51    52   0.15000  1.0 3.0
   44    41    51    53   0.15000  1.0 3.0
   44    41    51    54   0.15000  1.0 3.0
   44    59    61    62   0.15000  1.0 3.0
   44    59    61    63   0.15000  1.0 3.0
   44    59    61    66   0.56750  1.0 1.0
   44    59    61    66  -0.07550 -1.0 2.0
   44    59    61    66   0.20000  1.0 3.0
   44    59    64    65  -0.11600  1.0 1.0
   44    59    64    65  -0.09450 -1.0 2.0
   44    59    64    65   0.21250  1.0 3.0
   45    44    59    60   0.15000  1.0 3.0
   45    44    59    61   0.15000  1.0 3.0
   45    44    59    64   0.23400  1.0 3.0
   46    44    59    60   0.15000  1.0 3.0
   46    44    59    61   0.15000  1.0 3.0
   46    44    59    64   0.23400  1.0 3.0
   59    61   -66    37   0.34400  1.0 1.0
   59    61   -66    37   0.09450 -1.0 2.0
   59    61   -66    37   0.11100  1.0 3.0
   59    61    66    67   0.56750  1.0 1.0
   59    61    66    67  -0.07550 -1.0 2.0
   59    61    66    67   0.20000  1.0 3.0
   59    61    66    71   0.86500  1.0 1.0
   59    61    66    71  -0.17500 -1.0 2.0
   59    61    66    71   0.20800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   61    59    64    65  -0.11600  1.0 1.0
   61    59    64    65  -0.09450 -1.0 2.0
   61    59    64    65   0.21250  1.0 3.0
   61    66    67    68   0.15000  1.0 3.0
   61    66    67    69   0.15000  1.0 3.0
   61    66    67    70   0.15000  1.0 3.0
   61    66    71    72  -0.11600  1.0 1.0
   61    66    71    72  -0.09450 -1.0 2.0
   61    66    71    72   0.21250  1.0 3.0
   62    61    66    37   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    71   0.23400  1.0 3.0
   63    61    66    37   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    71   0.23400  1.0 3.0
   66    37   -41    44   0.46850  1.0 1.0
   66    37   -41    44   0.08550 -1.0 2.0
   66    37   -41    44   0.09800  1.0 3.0
   66    37    41    47   0.46850  1.0 1.0
   66    37    41    47   0.08550 -1.0 2.0
   66    37    41    47   0.09800  1.0 3.0
   66    37    41    51   0.46850  1.0 1.0
   66    37    41    51   0.08550 -1.0 2.0
   66    37    41    51   0.09800  1.0 3.0
   67    66    71    72  -0.11600  1.0 1.0
   67    66    71    72  -0.09450 -1.0 2.0
   67    66    71    72   0.21250  1.0 3.0
   71    66    67    68   0.23400  1.0 3.0
   71    66    67    69   0.23400  1.0 3.0
   71    66    67    70   0.23400  1.0 3.0
   64    59    61    62   0.23400  1.0 3.0
   64    59    61    63   0.23400  1.0 3.0
   64    59    61    66   0.86500  1.0 1.0
   64    59    61    66  -0.17500 -1.0 2.0
   64    59    61    66   0.20800  1.0 3.0
   47    41    44    45   0.15000  1.0 3.0
   47    41    44    46   0.15000  1.0 3.0
   47    41    44    59   0.56750  1.0 1.0
   47    41    44    59  -0.07550 -1.0 2.0
   47    41    44    59   0.20000  1.0 3.0
   47    41    51    52   0.15000  1.0 3.0
   47    41    51    53   0.15000  1.0 3.0
   47    41    51    54   0.15000  1.0 3.0
   51    41    44    45   0.15000  1.0 3.0
   51    41    44    46   0.15000  1.0 3.0
   51    41    44    59   0.56750  1.0 1.0
   51    41    44    59  -0.07550 -1.0 2.0
   51    41    44    59   0.20000  1.0 3.0
   51    41    47    48   0.15000  1.0 3.0
   51    41    47    49   0.15000  1.0 3.0
   51    41    47    50   0.15000  1.0 3.0
   38    33    37    41   7.00000 -1.0 2.0
   38    33    37    66   7.00000 -1.0 2.0
   38    42    55    56   0.00000  1.0 1.0
   38    42    55    57   0.00000  1.0 1.0
   38    42    55    58   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    55   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    55   0.00000  1.0 1.0
   43    42    55    56   0.00000  1.0 1.0
   43    42    55    57   0.00000  1.0 1.0
   43    42    55    58   0.00000  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   29    38    33    37   1.10000 -1.0 2.0
   41    66    37    33   1.10000 -1.0 2.0
   38    55    42    43  10.50000 -1.0 2.0
END
