* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    128    189     376
    1     0 S   NP   _N1_     1    31.10220    99.98310   -20.68746
    2     1 S   H    _HN1     2     1.02849    69.41027  -108.86206
    3     1 S   H    _H1_     3     1.02718    64.68359   129.06613
    4     1 S   H    _H2_     4     1.03436   169.45850   175.16276
    5     1 S   CT   _CA1     5     1.50254    78.04518     8.76103
    6     5 S   HC   _HA1     6     1.09403   104.90668   111.49433
    7     5 S   CO3  _C1_     7     1.53749   113.50651    -8.81815
    8     7 S   O2Z  _O11     8     1.26449   115.10253   -24.36583
    9     7 S   O2Z  _O12     9     1.26261   115.20753   155.25259
   10     5 S   CT   _CB1    10     1.52885   107.21707  -129.88909
   11    10 S   HC   HB11    11     1.09459   109.28563   -37.38534
   12    10 S   HC   HB12    12     1.09834   110.58766    78.24795
   13    10 S   CT   _CG1    13     1.53167   113.26465  -159.39234
   14    13 S   HC   HG11    14     1.09515   111.04382   -85.04679
   15    13 S   HC   HG12    15     1.09611   111.44057    34.60804
   16    13 S   C    _CD1    16     1.51519   109.28979   154.63750
   17    16 S   O    _OE1    17     1.22789   122.08327    97.84114
   18    16 S   N    _N2_    18     1.38549   112.37484   -79.35492
   19    18 S   H    _HN2    19     1.02003   118.75159    -3.49273
   20    18 S   CT1  _CA2    20     1.45993   123.05839   170.86146
   21    20 S   HC   _HA2    21     1.09671   108.79617    28.37982
   22    20 S   C    _C2_    22     1.53329   108.37249   -88.29652
   23    22 S   O    _O2_    23     1.23128   121.02745   151.33774
   24    20 S   CT   _CB2    32     1.53278   112.08336   151.85318
   25    24 S   HC   HB21    33     1.09169   109.22441    62.39309
   26    24 S   HC   HB22    34     1.09545   110.24071   179.97202
   27    22 S   N    _N3_    24     1.38499   114.51985   -36.17525
   28    27 S   H    _HN3    25     1.01633   119.52889     1.75858
   29    24 S   S    _SG2    35     1.82634   111.14154   -59.98978
   30    27 S   CT   _CA3    26     1.45313   123.23105  -177.71689
   31    30 S   HC   HA31    27     1.09563   108.28800   -42.97060
   32    30 S   HC   HA32    28     1.09549   107.11547    73.35707
   33    29 S   CT   _C9_    36     1.84445   100.86198   160.84297
   34    33 S   HC   _H6_    37     1.09535   105.25865    54.89628
   35    30 S   CO3  _C3_    29     1.53106   114.63207  -165.30864
   36    35 S   O2Z  _O31    30     1.26393   116.52684     1.53378
   37    35 S   O2Z  _O32    31     1.26473   114.29512  -178.73360
   38    33 S   CT   _C8_    38     1.54408   114.22490   -65.45580
   39    38 S   HC   _H5_    39     1.09070   110.25557    47.99266
   40    38 S   CT   _C7_    40     1.54040   110.71213   -73.44698
   41    40 S   HC   _H4_    41     1.09671   109.00678    63.35729
   42    38 S   N    _N4_    64     1.46767   110.14382   163.17531
   43    42 S   H    _H16    65     1.01703   117.29369    95.04158
   44    40 S   CT   _C11    42     1.53764   110.75514   -53.52378
   45    44 S   HC   _H8_    43     1.09656   109.34405   175.49263
   46    40 S   OS   _O35    54     1.43275   113.95703  -176.43817
   47    42 S   C    _C13    66     1.38187   123.13990   -81.77424
   48    47 S   O    _O39    67     1.22788   125.35510     0.42058
   49    44 S   CT   _C10    44     1.53628   109.84984    53.68882
   50    49 S   HC   _H7_    45     1.09648   109.69778    65.28775
   51    44 S   OH   _O37    52     1.43050   109.62824   -67.80521
   52    51 S   HO   _H12    53     0.97219   107.73265  -163.01805
   53    46 S   CT   _C5_    55     1.43548   116.29008   -60.51362
   54    53 S   HC   _H3_    56     1.09472   110.17110    61.89977
   55    47 S   CT   _C14    68     1.50423   112.52493   179.15466
   56    55 S   HC   _H17    69     1.09384   110.51584    43.72396
   57    55 S   HC   _H18    70     1.09347   109.61170   163.33282
   58    55 S   HC   _H19    71     1.09332   109.35739   -76.80796
   59    33 S   OS   _O36    46     1.44021   111.59158   168.48575
   60    49 S   CT   _C12    47     1.53005   112.24987  -174.36619
   61    60 S   HC   _H13    48     1.09483   111.38913    73.78565
   62    60 S   HC   _H14    49     1.09438   111.02772   -48.75600
   63    53 S   CO3  _C6_    57     1.53849   110.58553   -60.95120
   64    63 S   O2Z  _O34    58     1.26246   116.37101   -71.50105
   65    63 S   O2Z  _O33    59     1.26654   114.46760   107.83759
   66    53 S   CT   _C4_    60     1.52182   107.28940   179.04817
   67    66 S   HC   _H9_    61     1.09589   111.61633    54.27114
   68    66 S   HC   _H10    62     1.09456   111.43891   175.85343
   69    66 S   HC   _H11    63     1.09564   110.12632   -63.61155
   70    60 S   OH   _O38    50     1.42504   109.15462  -167.54172
   71    70 S   HO   _H15    51     0.97232   107.07151  -178.36123
  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
