* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    128    189     376
    1     0 S   NP   _N1_     1    29.25637    94.96368   -24.65563
    2     1 S   H    _HN1     2     1.02957    79.45740     6.86427
    3     1 S   H    _H1_     3     1.02828    27.78381  -179.91607
    4     1 S   H    _H2_     4     1.02785   114.83146   -98.63067
    5     1 S   CT   _CA1     5     1.50131   125.27851   114.46157
    6     5 S   HC   _HA1     6     1.09574   105.17548    86.26553
    7     5 S   CO3  _C1_     7     1.53782   112.53676   -33.88796
    8     7 S   O2Z  _O11     8     1.26365   115.00867   -40.20468
    9     7 S   O2Z  _O12     9     1.26241   114.95439   138.92115
   10     5 S   CT   _CB1    10     1.53074   107.39172  -155.77394
   11    10 S   HC   HB11    11     1.09833   109.28680   -49.86027
   12    10 S   HC   HB12    12     1.09815   110.44305    66.71085
   13    10 S   CT   _CG1    13     1.52993   112.68961  -170.88911
   14    13 S   HC   HG11    14     1.09580   110.59996   -66.70677
   15    13 S   HC   HG12    15     1.09670   109.82296    52.55763
   16    13 S   C    _CD1    16     1.51785   112.23365   172.92099
   17    16 S   O    _OE1    17     1.22731   123.29433     5.85498
   18    16 S   N    _N2_    18     1.38654   111.69194  -174.10472
   19    18 S   H    _HN2    19     1.01583   118.95045     1.45077
   20    18 S   CT1  _CA2    20     1.46115   123.38684   177.05922
   21    20 S   HC   _HA2    21     1.09577   109.31913     3.04594
   22    20 S   C    _C2_    22     1.53586   108.74956  -111.94413
   23    22 S   O    _O2_    23     1.23059   122.28135  -148.22413
   24    20 S   CT   _CB2    32     1.53275   111.64917   125.65495
   25    24 S   HC   HB21    33     1.09665   109.63466    61.26859
   26    24 S   HC   HB22    34     1.09558   110.92354   178.28001
   27    22 S   N    _N3_    24     1.38333   113.71257    39.19184
   28    27 S   H    _HN3    25     1.01572   119.58482    -3.07307
   29    24 S   S    _SG2    35     1.83073   114.95553   -58.60419
   30    27 S   CT   _CA3    26     1.45286   123.24732   177.18701
   31    30 S   HC   HA31    27     1.09546   107.50557   -65.23904
   32    30 S   HC   HA32    28     1.09556   108.00213    51.21700
   33    29 S   CT   _C9_    36     1.83365   100.54983   -59.47469
   34    33 S   HC   _H6_    37     1.09584   106.07990    73.12201
   35    30 S   CO3  _C3_    29     1.52971   114.04731   173.26897
   36    35 S   O2Z  _O31    30     1.26381   116.06139     0.92090
   37    35 S   O2Z  _O32    31     1.26429   114.42641  -179.02844
   38    33 S   CT   _C8_    38     1.54306   112.01889  -168.52680
   39    38 S   HC   _H5_    39     1.09731   109.95680   -60.06868
   40    38 S   CT   _C7_    40     1.54762   108.62938  -178.32719
   41    40 S   HC   _H4_    41     1.09798   106.69912    65.26163
   42    38 S   N    _N4_    64     1.46741   111.68367    59.44547
   43    42 S   H    _H16    65     1.01630   116.81499    66.73463
   44    40 S   CT   _C11    42     1.54194   111.40559   -52.60769
   45    44 S   HC   _H8_    43     1.09469   110.32913   173.20159
   46    40 S   OS   _O35    54     1.43160   108.55094  -177.61994
   47    42 S   C    _C13    66     1.38185   123.88803  -114.77757
   48    47 S   O    _O39    67     1.22756   125.83270     1.55419
   49    44 S   CT   _C10    44     1.53780   109.81556    51.98233
   50    49 S   HC   _H7_    45     1.09814   110.07895    63.43273
   51    44 S   OH   _O37    52     1.42949   109.46246   -69.32660
   52    51 S   HO   _H12    53     0.97205   107.78729  -164.03402
   53    46 S   CT   _C5_    55     1.43155   115.44997  -163.23057
   54    53 S   HC   _H3_    56     1.09441   110.85783   -49.33342
   55    47 S   CT   _C14    68     1.50461   112.22125  -179.43386
   56    55 S   HC   _H17    69     1.09383   110.25169    49.74351
   57    55 S   HC   _H18    70     1.09347   109.69884   169.38452
   58    55 S   HC   _H19    71     1.09345   109.49149   -70.77247
   59    33 S   OS   _O36    46     1.43115   111.35133   -44.99814
   60    49 S   CT   _C12    47     1.52793   112.70909  -174.92186
   61    60 S   HC   _H13    48     1.09476   111.45865    72.80313
   62    60 S   HC   _H14    49     1.09425   111.06670   -49.88082
   63    53 S   CO3  _C6_    57     1.53817   109.57399    73.54336
   64    63 S   O2Z  _O34    58     1.26282   116.35559    64.80662
   65    63 S   O2Z  _O33    59     1.26551   114.30564  -114.71788
   66    53 S   CT   _C4_    60     1.52132   107.54061  -167.78834
   67    66 S   HC   _H9_    61     1.09592   111.69385   -53.83273
   68    66 S   HC   _H10    62     1.09562   110.08670    64.06609
   69    66 S   HC   _H11    63     1.09457   111.44171  -175.43100
   70    60 S   OH   _O38    50     1.42520   108.91205  -168.63951
   71    70 S   HO   _H15    51     0.97233   107.13532  -178.07603
  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   8   5   4   3
  14   6   2   1   1  15   8  17   7  10   3  12   7  11   5   4
   9   6   3   1   8   7   3   2   1   1   4   4   3   2   6   2
   1   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    59    60    46    42    43    47  
   38    39    40    49    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    59    51    46    53    42    43    47    48    55  
   40    41    44    59    46    42    43    47  
   41    44    45    49    50    59    60    51    52    46    53    54    63    66    42    43    47  
   44    45    49    51    46    53    42  
   43    47    48    55    56    57    58    44    46    59  
   47    48    55  
   45    49    50    59    60    61    62    70    51    52    46    53  
   49    50    59    60    51    52    46  
   53    54    63    64    65    66    67    68    69    49    51  
   48    55    56    57    58  
   55    56    57    58  
   50    59    60    61    62    70    71    51    52  
   59    60    61    62    70    51  
   52    59    60  
    0  
   54    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    70  
   61    62    70    71  
   62    70    71  
   70    71  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   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    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    59   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   337.000  1.449
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    51   320.000  1.410
   49    50   340.000  1.090
   49    59   320.000  1.410
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   320.000  1.410
   70    71   553.000  0.945
   51    52   553.000  0.945
   46    53   320.000  1.410
   53    54   340.000  1.090
   53    63   317.000  1.522
   53    66   268.000  1.529
   63    64   656.000  1.250
   63    65   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   42    43   434.000  1.010
   42    47   490.000  1.335
   47    48   570.000  1.229
   47    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    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    59    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  110.72300
   33    59    49    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    38.00000  118.40000
   38    42    47    50.00000  121.90000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    44    51    50.00000  109.50000
   40    46    53    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    59    50.00000  109.50000
   44    49    60    58.35000  112.70000
   44    51    52    55.00000  108.50000
   49    44    45    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    70    50.00000  109.50000
   59    33    34    35.00000  109.50000
   59    33    38    50.00000  109.50000
   59    49    50    35.00000  109.50000
   60    49    50    37.50000  110.70000
   60    49    59    50.00000  109.50000
   60    70    71    55.00000  108.50000
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   51    44    45    35.00000  109.50000
   51    44    49    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    53    54    35.00000  109.50000
   46    53    63    85.00000  109.63000
   46    53    66    50.00000  109.50000
   53    63    64    70.00000  117.00000
   53    63    65    70.00000  117.00000
   53    66    67    37.50000  110.70000
   53    66    68    37.50000  110.70000
   53    66    69    37.50000  110.70000
   63    53    54    35.00000  109.50000
   65    63    64    80.00000  126.00000
   66    53    54    37.50000  110.70000
   66    53    63    70.00000  109.69300
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  110.72300
   42    47    48    80.00000  122.90000
   42    47    55    70.00000  116.60000
   47    42    43    35.00000  119.80000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    58    35.00000  109.50000
   55    47    48    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   0.01700  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    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    59    49   0.14700  1.0 1.0
   29    33    59    49  -1.16150 -1.0 2.0
   29    33    59    49   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    47  -0.43950  1.0 1.0
   33    38    42    47  -0.08100 -1.0 2.0
   33    38    42    47   0.03350  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    59    49   0.37050  1.0 3.0
   38    33    59    49   0.06250  1.0 1.0
   38    33    59    49  -0.01100 -1.0 2.0
   38    33    59    49   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    49   0.56750  1.0 1.0
   38    40   -44    49  -0.07550 -1.0 2.0
   38    40   -44    49   0.20000  1.0 3.0
   38    40    44    51   0.86500  1.0 1.0
   38    40    44    51  -0.17500 -1.0 2.0
   38    40    44    51   0.20800  1.0 3.0
   38    40    46    53   0.06250  1.0 1.0
   38    40    46    53  -0.01100 -1.0 2.0
   38    40    46    53   0.28050  1.0 3.0
   38    42    47    48   3.04450 -1.0 2.0
   38    42    47    55   1.49850  1.0 1.0
   38    42    47    55   1.53950 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    47  -0.43950  1.0 1.0
   40    38    42    47  -0.08100 -1.0 2.0
   40    38    42    47   0.03350  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    59   0.62750  1.0 1.0
   40    44    49    59  -0.30950 -1.0 2.0
   40    44    49    59   0.27300  1.0 3.0
   40    44    49    60   0.56750  1.0 1.0
   40    44    49    60  -0.07550 -1.0 2.0
   40    44    49    60   0.20000  1.0 3.0
   40    44    51    52  -0.11600  1.0 1.0
   40    44    51    52  -0.09450 -1.0 2.0
   40    44    51    52   0.21250  1.0 3.0
   40    46    53    54   0.37050  1.0 3.0
   40    46    53    63  -1.11000  1.0 1.0
   40    46    53    63   0.50250 -1.0 2.0
   40    46    53    63   0.47450  1.0 3.0
   40    46    53    66   0.06250  1.0 1.0
   40    46    53    66  -0.01100 -1.0 2.0
   40    46    53    66   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    51   0.23400  1.0 3.0
   41    40    46    53   0.37050  1.0 3.0
   44    40    46    53   0.06250  1.0 1.0
   44    40    46    53  -0.01100 -1.0 2.0
   44    40    46    53   0.28050  1.0 3.0
   44    49   -59    33   0.06250  1.0 1.0
   44    49   -59    33  -0.01100 -1.0 2.0
   44    49   -59    33   0.28050  1.0 3.0
   44    49    60    61   0.15000  1.0 3.0
   44    49    60    62   0.15000  1.0 3.0
   44    49    60    70   0.86500  1.0 1.0
   44    49    60    70  -0.17500 -1.0 2.0
   44    49    60    70   0.20800  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    59   0.23400  1.0 3.0
   45    44    49    60   0.15000  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   49    44    51    52  -0.11600  1.0 1.0
   49    44    51    52  -0.09450 -1.0 2.0
   49    44    51    52   0.21250  1.0 3.0
   49    60    70    71  -0.11600  1.0 1.0
   49    60    70    71  -0.09450 -1.0 2.0
   49    60    70    71   0.21250  1.0 3.0
   50    49    59    33   0.37050  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   50    49    60    70   0.23400  1.0 3.0
   59    33    38    39   0.23400  1.0 3.0
   59    33   -38    40   0.62750  1.0 1.0
   59    33   -38    40  -0.30950 -1.0 2.0
   59    33   -38    40   0.27300  1.0 3.0
   59    33    38    42   1.12100  1.0 1.0
   59    33    38    42  -0.16500 -1.0 2.0
   59    49    60    61   0.23400  1.0 3.0
   59    49    60    62   0.23400  1.0 3.0
   59    49    60    70   3.69350  1.0 1.0
   59    49    60    70  -1.82950 -1.0 2.0
   60    49    59    33   0.06250  1.0 1.0
   60    49    59    33  -0.01100 -1.0 2.0
   60    49    59    33   0.28050  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   62    60    70    71   0.19450  1.0 3.0
   51    44    49    50   0.23400  1.0 3.0
   51    44    49    59   3.69350  1.0 1.0
   51    44    49    59  -1.82950 -1.0 2.0
   51    44    49    60   0.86500  1.0 1.0
   51    44    49    60  -0.17500 -1.0 2.0
   51    44    49    60   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    49   0.62750  1.0 1.0
   46    40    44    49  -0.30950 -1.0 2.0
   46    40    44    49   0.27300  1.0 3.0
   46    40    44    51   3.69350  1.0 1.0
   46    40    44    51  -1.82950 -1.0 2.0
   46    53    63    64   0.30150 -1.0 2.0
   46    53    63    65   0.30150 -1.0 2.0
   46    53    66    67   0.23400  1.0 3.0
   46    53    66    68   0.23400  1.0 3.0
   46    53    66    69   0.23400  1.0 3.0
   54    53    63    64   0.00000  1.0 1.0
   54    53    63    65   0.00000  1.0 1.0
   54    53    66    67   0.15000  1.0 3.0
   54    53    66    68   0.15000  1.0 3.0
   54    53    66    69   0.15000  1.0 3.0
   63    53    66    67  -0.11250  1.0 3.0
   63    53    66    68  -0.11250  1.0 3.0
   63    53    66    69  -0.11250  1.0 3.0
   66    53    63    64   0.41150 -1.0 2.0
   66    53    63    65   0.41150 -1.0 2.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    44  -0.27100  1.0 1.0
   42    38    40    44  -0.01700 -1.0 2.0
   42    38    40    44  -0.48600  1.0 3.0
   42    38    40    46   1.12100  1.0 1.0
   42    38    40    46  -0.16500 -1.0 2.0
   42    47    55    56   0.00000  1.0 1.0
   42    47    55    57   0.00000  1.0 1.0
   42    47    55    58   0.00000  1.0 1.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    55   2.45000 -1.0 2.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    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
   36    30    35    37  10.50000 -1.0 2.0
   64    53    63    65  10.50000 -1.0 2.0
   43    47    42    38   1.00000 -1.0 2.0
   42    55    47    48  10.50000 -1.0 2.0
END
