* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    127    185     368
    1     0 S   NP   _N1_     1    28.60905    94.24862   -22.66795
    2     1 S   H    _HN1     2     1.02838    25.68740   157.08483
    3     1 S   H    _H1_     3     1.02779    97.45344   -86.61191
    4     1 S   H    _H2_     4     1.02963    89.01300    21.75468
    5     1 S   CT   _CA1     5     1.50123   135.65955   140.50298
    6     5 S   HC   _HA1     6     1.09575   105.23279    66.69317
    7     5 S   CO3  _C1_     7     1.53806   112.41821   -53.51267
    8     7 S   O2Z  _O11     8     1.26360   115.00172   -42.79034
    9     7 S   O2Z  _O12     9     1.26242   114.93380   136.40501
   10     5 S   CT   _CB1    10     1.53104   107.43630  -175.37560
   11    10 S   HC   HB11    11     1.09822   109.36188   -50.64493
   12    10 S   HC   HB12    12     1.09821   110.39546    65.92421
   13    10 S   CT   _CG1    13     1.52994   112.65812  -171.76336
   14    13 S   HC   HG11    14     1.09601   110.38291   -63.25044
   15    13 S   HC   HG12    15     1.09649   110.03102    55.94825
   16    13 S   C    _CD1    16     1.51814   112.37851   176.31230
   17    16 S   O    _OE1    17     1.22708   123.29302    -4.32862
   18    16 S   N    _N2_    18     1.38586   111.54563   175.94344
   19    18 S   H    _HN2    19     1.01584   118.98253     1.47724
   20    18 S   CT1  _CA2    20     1.46249   123.54431  -178.62655
   21    20 S   HC   _HA2    21     1.09724   109.52192    -8.19764
   22    20 S   C    _C2_    22     1.53413   108.26324  -123.99344
   23    22 S   O    _O2_    23     1.23021   122.27487  -144.59937
   24    20 S   CT   _CB2    32     1.53373   111.15241   113.97178
   25    24 S   HC   HB21    33     1.09389   109.16008    54.34838
   26    24 S   HC   HB22    34     1.09481   110.56701   173.49998
   27    22 S   N    _N3_    24     1.38516   113.38906    42.69412
   28    27 S   H    _HN3    25     1.01514   118.94302    -0.47806
   29    24 S   S    _SG2    35     1.82497   111.54585   -66.55316
   30    27 S   CT   _CA3    26     1.45444   123.39486   175.20940
   31    30 S   HC   HA31    27     1.09527   109.18581    25.51113
   32    30 S   HC   HA32    28     1.09495   107.13642   142.50019
   33    29 S   CT   _C13    36     1.83893   100.38373   174.08702
   34    33 S   HC   _H3_    37     1.09061   103.14371    53.68741
   35    30 S   CO3  _C3_    29     1.52924   113.13909   -97.93458
   36    35 S   O2Z  _O31    30     1.26400   115.41089   -44.58259
   37    35 S   O2Z  _O32    31     1.26357   114.98014   136.35879
   38    33 S   CM   _C6_    38     1.54513   114.61092   -63.65720
   39    33 S   CM   _C14    62     1.51374   108.97241   169.71640
   40    39 S   HC   _H19    63     1.09112   115.04542    84.35263
   41    38 S   CM   _C5_    39     1.36314   125.03002   -47.38167
   42    39 S   CMA  _C15    64     1.35408   128.95451   -98.16475
   43    42 S   OM   _O33    65     1.26285   128.56441  -176.98962
   44    41 S   CT   _C10    40     1.51667   123.18222   175.37204
   45    44 S   HC   _H11    41     1.09792   108.14855   110.31569
   46    44 S   HC   _H12    42     1.09726   109.61433  -133.59313
   47    41 S   CT   _C4_    58     1.51162   126.18846    -5.58118
   48    47 S   HC   _H4_    59     1.09499   110.16437   105.16432
   49    47 S   HC   _H5_    60     1.08977   114.24901   -17.61911
   50    47 S   HC   _H6_    61     1.09636   110.00735  -135.98754
   51    42 S   CT   _C16    66     1.51877   120.89197     3.94015
   52    51 S   HC   _H20    67     1.09383   113.05599    21.22803
   53    51 S   HC   _H21    68     1.09890   111.97814   139.64250
   54    51 S   HC   _H22    69     1.09683   110.54325   -99.83641
   55    44 S   CT   _C9_    43     1.51808   114.93446   -11.68672
   56    55 S   HC   _H9_    44     1.09612   109.59883   165.01951
   57    55 S   HC   _H10    45     1.09575   110.26041   -77.99013
   58    55 S   CT   _C8_    46     1.51532   109.47420    44.18142
   59    58 S   HC   _H7_    47     1.09915   108.58145    60.32701
   60    58 S   HC   _H8_    48     1.09749   109.35736   175.67519
   61    38 S   CT   _C7_    49     1.56235   114.51397   133.11704
   62    61 S   CT   _C11    50     1.54542   110.22692   -70.93414
   63    62 S   HC   _H13    51     1.09642   111.01650  -176.08353
   64    62 S   HC   _H14    52     1.09482   112.09332    64.70630
   65    62 S   HC   _H15    53     1.09466   111.88315   -56.09178
   66    61 S   CT   _C12    54     1.54755   111.86150    49.53903
   67    66 S   HC   _H16    55     1.09683   110.92779   172.42770
   68    66 S   HC   _H17    56     1.09604   111.26112    52.81976
   69    66 S   HC   _H18    57     1.09415   112.46827   -68.53321
  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  24   9   3  14   5   4  13   6   5   5   2
   1   1   3   2   1   1   8   5   4  11   4   3   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    61    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    58    61    62    66    47    39    40    42    43    51  
   38    41    61    39    40    42  
   36    37  
   37  
    0  
   41    44    45    46    55    58    59    60    61    62    63    64    65    66    67    68    69    47    48    49    50    39    40    42  
   40    42    43    51    52    53    54    41    61  
   42    43    51  
   44    45    46    55    56    57    58    61    62    66    47    48    49    50  
   43    51    52    53    54  
   51    52    53    54  
   45    46    55    56    57    58    59    60    61    47    48    49    50  
   46    55    56    57    58    47  
   55    56    57    58    47  
   48    49    50    55    61  
   49    50  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    66  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    66  
   61    62    66  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.510
   33    39   317.000  1.510
   38    41   549.000  1.340
   38    61   317.000  1.510
   41    44   317.000  1.510
   41    47   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    51   270.000  1.512
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  112.20000
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    61    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    44    70.00000  124.00000
   38    41    47    70.00000  124.00000
   38    61    58    70.00000  112.02700
   38    61    62    70.00000  112.02700
   38    61    66    70.00000  112.02700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    55    70.00000  112.02700
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   44    55    56    37.50000  110.70000
   44    55    57    37.50000  110.70000
   44    55    58    58.35000  112.70000
   46    44    45    33.00000  107.80000
   55    44    45    37.50000  110.70000
   55    44    46    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    66    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    38    41    70.00000  124.00000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    61    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   47    41    44    65.00000  117.92700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    42    43    65.00000  137.10300
   39    42    51    65.00000  122.18000
   42    39    40    40.00000  120.50800
   42    51    52    45.00000  110.52000
   42    51    53    45.00000  110.52000
   42    51    54    45.00000  110.52000
   51    42    43    85.00000  112.85300
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    61   0.30250  1.0 1.0
   29    33    38    61  -0.14950 -1.0 2.0
   29    33    38    61   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    61    58   0.46850  1.0 1.0
   33    38    61    58   0.08550 -1.0 2.0
   33    38    61    58   0.09800  1.0 3.0
   33    38    61    62   0.46850  1.0 1.0
   33    38    61    62   0.08550 -1.0 2.0
   33    38    61    62   0.09800  1.0 3.0
   33    38    61    66   0.46850  1.0 1.0
   33    38    61    66   0.08550 -1.0 2.0
   33    38    61    66   0.09800  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    51   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    61   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42  -0.28300  1.0 1.0
   38    33    39    42   0.26700 -1.0 2.0
   38    33    39    42  -0.63300  1.0 3.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    46   0.00000  1.0 1.0
   38    41    44    55   0.09850  1.0 1.0
   38    41    44    55   0.15250 -1.0 2.0
   38    41    44    55  -0.50650  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    50   0.00000  1.0 1.0
   38    61    62    63   0.15000  1.0 3.0
   38    61    62    64   0.15000  1.0 3.0
   38    61    62    65   0.15000  1.0 3.0
   38    61    66    67   0.15000  1.0 3.0
   38    61    66    68   0.15000  1.0 3.0
   38    61    66    69   0.15000  1.0 3.0
   41    38    61    58   0.09850  1.0 1.0
   41    38    61    58   0.15250 -1.0 2.0
   41    38    61    58  -0.50650  1.0 3.0
   41    38    61    62   0.09850  1.0 1.0
   41    38    61    62   0.15250 -1.0 2.0
   41    38    61    62  -0.50650  1.0 3.0
   41    38    61    66   0.09850  1.0 1.0
   41    38    61    66   0.15250 -1.0 2.0
   41    38    61    66  -0.50650  1.0 3.0
   41    44    55    56   0.15000  1.0 3.0
   41    44    55    57   0.15000  1.0 3.0
   41    44   -55    58   0.34400  1.0 1.0
   41    44   -55    58   0.09450 -1.0 2.0
   41    44   -55    58   0.11100  1.0 3.0
   44    41    47    48   0.34800  1.0 3.0
   44    41    47    49   0.34800  1.0 3.0
   44    41    47    50   0.34800  1.0 3.0
   44    55    58    59   0.15000  1.0 3.0
   44    55    58    60   0.15000  1.0 3.0
   44    55    58    61   0.56750  1.0 1.0
   44    55    58    61  -0.07550 -1.0 2.0
   44    55    58    61   0.20000  1.0 3.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    57   0.15000  1.0 3.0
   45    44    55    58   0.15000  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44    55    57   0.15000  1.0 3.0
   46    44    55    58   0.15000  1.0 3.0
   55    58   -61    38   0.34400  1.0 1.0
   55    58   -61    38   0.09450 -1.0 2.0
   55    58   -61    38   0.11100  1.0 3.0
   55    58    61    62   0.56750  1.0 1.0
   55    58    61    62  -0.07550 -1.0 2.0
   55    58    61    62   0.20000  1.0 3.0
   55    58    61    66   0.56750  1.0 1.0
   55    58    61    66  -0.07550 -1.0 2.0
   55    58    61    66   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61    62    65   0.15000  1.0 3.0
   58    61    66    67   0.15000  1.0 3.0
   58    61    66    68   0.15000  1.0 3.0
   58    61    66    69   0.15000  1.0 3.0
   59    58    61    38   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   60    58    61    38   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    66   0.15000  1.0 3.0
   61    38   -41    44   7.00000 -1.0 2.0
   61    38    41    47   7.00000 -1.0 2.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   66    61    62    63   0.15000  1.0 3.0
   66    61    62    64   0.15000  1.0 3.0
   66    61    62    65   0.15000  1.0 3.0
   47    41    44    45   0.34800  1.0 3.0
   47    41    44    46   0.34800  1.0 3.0
   47    41    44    55   0.46850  1.0 1.0
   47    41    44    55   0.08550 -1.0 2.0
   47    41    44    55   0.09800  1.0 3.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    61   0.09700  1.0 1.0
   39    33    38    61   0.15600 -1.0 2.0
   39    33    38    61  -0.50800  1.0 3.0
   39    42    51    52   0.00000  1.0 1.0
   39    42    51    53   0.00000  1.0 1.0
   39    42    51    54   0.00000  1.0 1.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    51   7.00000 -1.0 2.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53   0.00000  1.0 1.0
   43    42    51    54   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
   33    61    38    41   1.10000 -1.0 2.0
   44    47    41    38   1.10000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   51    43    42    39  15.00000 -1.0 2.0
END
