* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    222     411
    1     0 S   NP   _N1_     1    29.00415    94.41548   -19.71342
    2     1 S   H    _HN1     2     1.02778    80.78103   -82.76354
    3     1 S   H    _H1_     3     1.02960    95.24891    24.99031
    4     1 S   H    _H2_     4     1.02839    35.37667   137.25004
    5     1 S   CT   _CA1     5     1.50116   144.27904   161.68917
    6     5 S   HC   _HA1     6     1.09565   105.27754    44.39477
    7     5 S   CO3  _C1_     7     1.53829   112.30927   -75.97280
    8     7 S   O2Z  _O11     8     1.26375   115.01013   -44.04589
    9     7 S   O2Z  _O12     9     1.26235   114.93842   135.17730
   10     5 S   CT   _CB1    10     1.53088   107.44360   162.45867
   11    10 S   HC   HB11    11     1.09821   109.53150   -49.13918
   12    10 S   HC   HB12    12     1.09832   110.31459    67.46053
   13    10 S   CT   _CG1    13     1.53028   112.66988  -170.21295
   14    13 S   HC   HG11    14     1.09518   110.38244   -59.51020
   15    13 S   HC   HG12    15     1.09625   110.13186    59.65537
   16    13 S   C    _CD1    16     1.51796   112.10247   179.93439
   17    16 S   O    _OE1    17     1.22743   123.12931    -9.68956
   18    16 S   N    _N2_    18     1.38631   111.79477   170.68363
   19    18 S   H    _HN2    19     1.01583   119.11391     1.61979
   20    18 S   CT1  _CA2    20     1.46293   123.26773  -177.43585
   21    20 S   HC   _HA2    21     1.09733   109.31249   -12.35251
   22    20 S   C    _C2_    22     1.53380   108.54754  -128.12039
   23    22 S   O    _O2_    23     1.23015   122.22363  -146.66401
   24    20 S   CT   _CB2    32     1.53475   111.35840   109.51254
   25    24 S   HC   HB21    33     1.09555   109.67551    58.43727
   26    24 S   HC   HB22    34     1.09520   110.62879   176.62803
   27    22 S   N    _N3_    24     1.38507   113.38707    40.75955
   28    27 S   H    _HN3    25     1.01526   118.89908    -0.62150
   29    24 S   S    _SG2    35     1.82894   111.48373   -64.06819
   30    27 S   CT   _CA3    26     1.45451   123.46674   175.06648
   31    30 S   HC   HA31    27     1.09522   109.25717    24.02672
   32    30 S   HC   HA32    28     1.09496   107.11860   141.03816
   33    29 S   CT   _C11    36     1.82140    99.89255   136.34786
   34    33 S   HC   _H3_    37     1.09319   110.37139   -37.66302
   35    30 S   CO3  _C3_    29     1.52925   113.09554   -99.46094
   36    35 S   O2Z  _O31    30     1.26404   115.39621   -44.53466
   37    35 S   O2Z  _O32    31     1.26353   114.98659   136.39223
   38    33 S   CM   _C4_    38     1.48703   111.30677    83.38391
   39    38 S   HC   _H20    39     1.08331   123.45739   -44.70782
   40    38 S   CMA  _C5_    40     1.34377   113.19124   138.84291
   41    40 S   OM   _O16    41     1.25822   132.13078   177.05151
   42    40 S   CT   _C16    42     1.56992   110.44299    -0.78459
   43    33 S   CT   _C13    43     1.54549   111.77370  -163.39113
   44    43 S   HC   _H29    44     1.10427   106.46158   -37.89178
   45    42 S   CT   _C15    59     1.57461   112.00553  -134.28679
   46    45 S   HC   _H31    60     1.09933   107.99260    40.78370
   47    42 S   CT   _C18    68     1.54358   107.44163   100.62405
   48    47 S   HC   _H35    69     1.09063   112.56666  -177.50566
   49    47 S   HC   _H36    70     1.09622   111.75588    62.36186
   50    47 S   HC   _H37    71     1.09607   111.55319   -56.49346
   51    43 S   CT   _C14    45     1.55298   114.10947    77.26846
   52    51 S   HC   _H30    46     1.10072   105.34352   -74.05673
   53    51 S   CT   _C10    47     1.53449   114.84951   170.24762
   54    53 S   HC   _H25    48     1.09339   111.17864   -87.92828
   55    53 S   HC   _H26    49     1.09928   107.19996   158.09282
   56    51 S   CT   _C17    64     1.53463   116.17963    41.40620
   57    56 S   HC   _H32    65     1.09176   112.41846    59.73985
   58    56 S   HC   _H33    66     1.09348   111.66952   -62.40134
   59    56 S   HC   _H34    67     1.09574   110.42226   179.46514
   60    53 S   CT   _C9_    50     1.52228   114.45108    38.84966
   61    60 S   HC   _H23    51     1.09693   110.23174    38.82640
   62    60 S   HC   _H24    52     1.09864   107.55299   152.83848
   63    60 S   CT   _C12    53     1.52773   115.84959   -86.62035
   64    63 S   HC   _H28    54     1.10238   105.12863  -177.80724
   65    63 S   CM   _C6_    55     1.49240   118.82089   -61.53068
   66    65 S   CO4  _C7_    56     1.47611   107.66247   158.44555
   67    66 S   O    _O17    57     1.21742   127.12490   168.42163
   68    65 S   CM   _C8_    61     1.33583   130.85051   -21.50293
   69    68 S   HC   _H21    62     1.08434   121.29677    -0.28804
   70    68 S   HC   _H22    63     1.08528   121.58848   179.83214
   71    66 S   OS   _O18    58     1.36226   106.75624   -10.21090
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  17   7   6   2
   1   1  12   8  12   6   5   4   2   1   1   8   4   3   8   4
   6   5   2   3   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    53    45    56    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    63    71    45    46    47    48    49    50  
   42    43    45    47  
   43    44    51    52    53    60    63    64    65    66    71    45    46    56    47    48    49    50  
   44    51    52    53    54    55    60    63    71    45    46    56    57    58    59    47    48    49    50  
   51    52    53    45    56    47  
   46    68    47    48    49    50    51    53    60    61    62    63    64    65    66    67    71  
   47    60    63    64    65    66    71  
   48    49    50    51    63    71  
   49    50  
   50  
    0  
   52    53    54    55    60    61    62    63    56    57    58    59  
   53    54    55    60    56    57    58    59  
   54    55    60    61    62    63    64    65    56    57    58    59  
   55    60    61    62    63    56  
   60    61    62    63    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    71    68  
   62    63    64    65  
   63    64    65  
   64    65    66    67    71    68    69    70  
   65    66    71    68  
   66    67    71    68    69    70  
   67    71    68    69    70  
   71    68  
   69    70    71  
   70  
    0  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    45   268.000  1.529
   65    66   320.000  1.462
   65    68   549.000  1.340
   66    67   570.000  1.229
   66    71   214.000  1.327
   71    45   320.000  1.410
   45    46   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    63    58.35000  112.70000
   42    45    71    50.00000  109.50000
   42    45    46    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    53    58.35000  112.70000
   43    51    56    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    60    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    70.00000  112.02700
   60    63    45    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    65.00000  116.34900
   63    65    68    70.00000  124.00000
   63    45    71    50.00000  109.50000
   63    45    46    37.50000  110.70000
   65    63    64    35.00000  109.50000
   65    66    67    80.00000  123.72100
   65    66    71    90.00000  111.29400
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   66    71    45    83.00000  116.90000
   71    66    67    83.00000  123.40000
   71    45    46    35.00000  109.50000
   45    42    43    58.35000  112.70000
   45    63    64    37.50000  110.70000
   45    63    65    70.00000  112.02700
   68    65    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    53   0.56750  1.0 1.0
   33    43    51    53  -0.07550 -1.0 2.0
   33    43    51    53   0.20000  1.0 3.0
   33    43    51    56   0.56750  1.0 1.0
   33    43    51    56  -0.07550 -1.0 2.0
   33    43    51    56   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    63   0.34400  1.0 1.0
   40    42    45    63   0.09450 -1.0 2.0
   40    42    45    63   0.11100  1.0 3.0
   40    42    45    71   0.61850  1.0 1.0
   40    42    45    71  -0.22750 -1.0 2.0
   40    42    45    71   0.15300  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    53   0.56750  1.0 1.0
   42    43    51    53  -0.07550 -1.0 2.0
   42    43    51    53   0.20000  1.0 3.0
   42    43    51    56   0.56750  1.0 1.0
   42    43    51    56  -0.07550 -1.0 2.0
   42    43    51    56   0.20000  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    63   0.56750  1.0 1.0
   43    42    45    63  -0.07550 -1.0 2.0
   43    42    45    63   0.20000  1.0 3.0
   43    42    45    71   0.62750  1.0 1.0
   43    42    45    71  -0.30950 -1.0 2.0
   43    42    45    71   0.27300  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    53    54   0.15000  1.0 3.0
   43    51    53    55   0.15000  1.0 3.0
   43    51    53    60   0.56750  1.0 1.0
   43    51    53    60  -0.07550 -1.0 2.0
   43    51    53    60   0.20000  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    58   0.15000  1.0 3.0
   43    51    56    59   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53    60    62   0.15000  1.0 3.0
   51    53    60    63   0.56750  1.0 1.0
   51    53    60    63  -0.07550 -1.0 2.0
   51    53    60    63   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    60   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    65   0.34400  1.0 1.0
   53    60    63    65   0.09450 -1.0 2.0
   53    60    63    65   0.11100  1.0 3.0
   53    60    63    45   0.56750  1.0 1.0
   53    60    63    45  -0.07550 -1.0 2.0
   53    60    63    45   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63    65    66   0.09700  1.0 1.0
   60    63    65    66   0.15600 -1.0 2.0
   60    63    65    66  -0.50800  1.0 3.0
   60    63    65    68   0.09850  1.0 1.0
   60    63    65    68   0.15250 -1.0 2.0
   60    63    65    68  -0.50650  1.0 3.0
   60    63    45    42   0.56750  1.0 1.0
   60    63    45    42  -0.07550 -1.0 2.0
   60    63    45    42   0.20000  1.0 3.0
   60    63    45    71   0.62750  1.0 1.0
   60    63    45    71  -0.30950 -1.0 2.0
   60    63    45    71   0.27300  1.0 3.0
   60    63    45    46   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    45   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    45   0.15000  1.0 3.0
   63    65    66    67  -0.64400  1.0 1.0
   63    65    66    67   0.26850 -1.0 2.0
   63    65   -66    71  -0.15000  1.0 1.0
   63    65   -66    71   0.89550 -1.0 2.0
   63    65   -66    71  -0.06900  1.0 3.0
   63    65    68    69   7.00000 -1.0 2.0
   63    65    68    70   7.00000 -1.0 2.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    68   0.00000  1.0 1.0
   64    63    45    42   0.15000  1.0 3.0
   64    63    45    71   0.23400  1.0 3.0
   64    63    45    46   0.15000  1.0 3.0
   65    63    45    42   0.34400  1.0 1.0
   65    63    45    42   0.09450 -1.0 2.0
   65    63    45    42   0.11100  1.0 3.0
   65    63   -45    71   0.61850  1.0 1.0
   65    63   -45    71  -0.22750 -1.0 2.0
   65    63   -45    71   0.15300  1.0 3.0
   65    63    45    46   0.15000  1.0 3.0
   65    66   -71    45   2.00000 -1.0 2.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    70   7.00000 -1.0 2.0
   66    71    45    42  -0.25900  1.0 1.0
   66    71    45    42  -0.47000 -1.0 2.0
   66    71    45    42   0.11750  1.0 3.0
   66    71   -45    63  -0.25900  1.0 1.0
   66    71   -45    63  -0.47000 -1.0 2.0
   66    71   -45    63   0.11750  1.0 3.0
   66    71    45    46   0.08050  1.0 3.0
   67    66    71    45   3.00000 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    63   -65    66   0.09700  1.0 1.0
   45    63   -65    66   0.15600 -1.0 2.0
   45    63   -65    66  -0.50800  1.0 3.0
   45    63    65    68   0.09850  1.0 1.0
   45    63    65    68   0.15250 -1.0 2.0
   45    63    65    68  -0.50650  1.0 3.0
   68    65    66    67   1.00000 -1.0 2.0
   68    65    66    71  -0.56150  1.0 1.0
   68    65    66    71   2.19150 -1.0 2.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    60   0.56750  1.0 1.0
   56    51    53    60  -0.07550 -1.0 2.0
   56    51    53    60   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    63   0.56750  1.0 1.0
   47    42    45    63  -0.07550 -1.0 2.0
   47    42    45    63   0.20000  1.0 3.0
   47    42    45    71   0.62750  1.0 1.0
   47    42    45    71  -0.30950 -1.0 2.0
   47    42    45    71   0.27300  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   63    66    65    68   1.10000 -1.0 2.0
   65    71    66    67  10.50000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
END
