* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    129    194     381
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02108   106.56327   -17.91974
    3     1 S   H    _H1_     3     1.02058    58.19819    84.18660
    4     1 S   H    _H2_     4     1.02081    53.93224  -119.24205
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08641   109.88695   179.08657
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CM   _C6_    36     1.74009    99.32001  -178.15676
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.34707   119.44379   -90.02564
   38    33 S   CM   _C5_    64     1.45324   117.78731    87.13070
   39    38 S   HC   _H18    65     1.08925   114.05768  -175.23873
   40    37 S   CT   _C11    38     1.54432   120.73014   177.02625
   41    38 S   CMA  _C7_    66     1.35314   126.66560     2.93118
   42    41 S   OM   _O14    67     1.26248   132.12688    -0.02798
   43    40 S   CT   _C8_    39     1.55320   111.41931  -168.81778
   44    43 S   HC   _H19    40     1.10184   109.65670  -172.84004
   45    43 S   HC   _H20    41     1.10141   110.34085    72.49143
   46    40 S   CT   _C14    56     1.54414   109.65927    69.68454
   47    46 S   HC   _H27    57     1.08032   108.63616   179.97202
   48    46 S   HC   _H28    58     1.08085   108.53725    60.01421
   49    46 S   HC   _H29    59     1.08103   108.58689   -59.92690
   50    40 S   CT   _C15    60     1.54796   111.39146   -49.90542
   51    50 S   HC   _H30    61     1.08253   108.96712  -180.00000
   52    50 S   HC   _H31    62     1.08338   108.90568    60.05063
   53    50 S   HC   _H32    63     1.08317   108.98666   -59.92239
   54    41 S   CT   _C13    68     1.52001   116.86635  -179.36357
   55    54 S   HC   _H24    69     1.09726   111.20955    90.01396
   56    54 S   HC   _H25    70     1.09616   112.41649   -29.53528
   57    54 S   HC   _H26    71     1.09863   111.13220  -148.97320
   58    43 S   CT   _C10    42     1.53046   114.73135   -50.75788
   59    58 S   HC   _H23    43     1.12314   109.35742   154.02504
   60    58 S   CT   _C9_    44     1.53237   113.89154    31.48438
   61    60 S   HC   _H21    45     1.10059   107.78880   146.90334
   62    60 S   HC   _H22    46     1.10124   109.00598   -99.06045
   63    58 S   OH   _O15    54     1.42559   109.36233   -91.10125
   64    63 S   HO   _H36    55     0.96966   106.52793  -179.97202
   65    37 S   CT   _C12    47     1.53246   122.26217    -5.07146
   66    65 S   CT   _C16    48     1.53777   115.47924   -15.51742
   67    66 S   HC   _H33    49     1.08384   109.23250  -179.97202
   68    66 S   HC   _H34    50     1.08467   109.12446    59.96710
   69    66 S   HC   _H35    51     1.08471   109.11615   -59.96858
   70    65 S   OH   _O16    52     1.43328   107.71198   103.54861
   71    70 S   HO   _H37    53     0.96736   106.08520   179.96044
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  14   2   1   1  26   9   3  18   5   4  18   7   6   9   3   2
   1   5   2   1   1   3   2   1   1   9   6  11   5   4   2   1
   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    65    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    60    65    66    70    46    50    38    39    41    42    54  
   35    36  
   36  
    0  
   40    43    44    45    58    60    61    62    65    66    67    68    69    70    71    46    47    48    49    50    51    52    53    38    39    41  
   39    41    42    54    55    56    57    40    65  
   41    42    54  
   43    44    45    58    59    60    65    66    70    63    46    47    48    49    50    51    52    53  
   42    54    55    56    57  
   54    55    56    57  
   44    45    58    59    60    61    62    65    63    64    46    47    48    49    50    51    52    53  
   45    58    59    60    63    46    50  
   58    59    60    63    46    50  
   47    48    49    50    51    52    53    58    65  
   48    49    50  
   49    50  
   50  
   51    52    53    58    65  
   52    53  
   53  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    65    66    70    63    64  
   60    61    62    65    63    64  
   61    62    65    66    67    68    69    70    71    63    64  
   62    65    66    70    63  
   65    66    70    63  
   64    65  
    0  
   66    67    68    69    70    71  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    38   380.000  1.444
   37    40   317.000  1.510
   37    65   317.000  1.510
   40    43   268.000  1.529
   40    46   268.000  1.529
   40    50   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   268.000  1.529
   65    70   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
   63    64   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    54   270.000  1.512
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    38    65.00000  122.11800
   33    37    40    70.00000  124.00000
   33    37    65    70.00000  124.00000
   33    38    39    35.00000  120.00000
   33    38    41    70.00000  117.34000
   37    40    43    70.00000  112.02700
   37    40    46    70.00000  112.02700
   37    40    50    70.00000  112.02700
   37    65    60    70.00000  112.02700
   37    65    66    70.00000  112.02700
   37    65    70    90.00000  110.39200
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    58    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   40    50    51    37.50000  110.70000
   40    50    52    37.50000  110.70000
   40    50    53    37.50000  110.70000
   43    58    59    37.50000  110.70000
   43    58    60    58.35000  112.70000
   43    58    63    50.00000  109.50000
   45    43    44    33.00000  107.80000
   58    43    44    37.50000  110.70000
   58    43    45    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    65    58.35000  112.70000
   58    63    64    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    65    66    58.35000  112.70000
   60    65    70    50.00000  109.50000
   62    60    61    33.00000  107.80000
   65    37    40    65.00000  117.92700
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    69    37.50000  110.70000
   65    70    71    55.00000  108.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    58    60    50.00000  109.50000
   46    40    43    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    40    43    58.35000  112.70000
   50    40    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   38    33    37    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    54    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    54    55    45.00000  110.52000
   41    54    56    45.00000  110.52000
   41    54    57    45.00000  110.52000
   54    41    42    85.00000  112.85300
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    40   7.00000 -1.0 2.0
   29    33    37    65   7.00000 -1.0 2.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41  -0.18600  1.0 3.0
   33    37    40    43   0.09850  1.0 1.0
   33    37    40    43   0.15250 -1.0 2.0
   33    37    40    43  -0.50650  1.0 3.0
   33    37    40    46   0.09850  1.0 1.0
   33    37    40    46   0.15250 -1.0 2.0
   33    37    40    46  -0.50650  1.0 3.0
   33    37    40    50   0.09850  1.0 1.0
   33    37    40    50   0.15250 -1.0 2.0
   33    37    40    50  -0.50650  1.0 3.0
   33    37    65    60   0.09850  1.0 1.0
   33    37    65    60   0.15250 -1.0 2.0
   33    37    65    60  -0.50650  1.0 3.0
   33    37    65    66   0.09850  1.0 1.0
   33    37    65    66   0.15250 -1.0 2.0
   33    37    65    66  -0.50650  1.0 3.0
   33    37    65    70   0.67800  1.0 1.0
   33    37    65    70   0.47050 -1.0 2.0
   33    37    65    70  -0.62500  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    54   7.00000 -1.0 2.0
   37    33    38    39  -0.18600  1.0 3.0
   37    33    38    41   0.28850  1.0 1.0
   37    33    38    41   2.61350 -1.0 2.0
   37    33    38    41   0.78400  1.0 3.0
   37    40    43    44   0.15000  1.0 3.0
   37    40    43    45   0.15000  1.0 3.0
   37    40    43    58   0.34400  1.0 1.0
   37    40    43    58   0.09450 -1.0 2.0
   37    40    43    58   0.11100  1.0 3.0
   37    40    46    47   0.15000  1.0 3.0
   37    40    46    48   0.15000  1.0 3.0
   37    40    46    49   0.15000  1.0 3.0
   37    40    50    51   0.15000  1.0 3.0
   37    40    50    52   0.15000  1.0 3.0
   37    40    50    53   0.15000  1.0 3.0
   37    65    66    67   0.15000  1.0 3.0
   37    65    66    68   0.15000  1.0 3.0
   37    65    66    69   0.15000  1.0 3.0
   37    65    70    71  -0.07800  1.0 1.0
   37    65    70    71  -0.21500 -1.0 2.0
   37    65    70    71  -0.03150  1.0 3.0
   40    37    65    60   0.46850  1.0 1.0
   40    37    65    60   0.08550 -1.0 2.0
   40    37    65    60   0.09800  1.0 3.0
   40    37    65    66   0.46850  1.0 1.0
   40    37    65    66   0.08550 -1.0 2.0
   40    37    65    66   0.09800  1.0 3.0
   40    37    65    70   0.18000  1.0 1.0
   40    37    65    70   0.16450 -1.0 2.0
   40    37    65    70   0.04450  1.0 3.0
   40    43    58    59   0.15000  1.0 3.0
   40    43   -58    60   0.56750  1.0 1.0
   40    43   -58    60  -0.07550 -1.0 2.0
   40    43   -58    60   0.20000  1.0 3.0
   40    43    58    63   0.86500  1.0 1.0
   40    43    58    63  -0.17500 -1.0 2.0
   40    43    58    63   0.20800  1.0 3.0
   43    40    46    47   0.15000  1.0 3.0
   43    40    46    48   0.15000  1.0 3.0
   43    40    46    49   0.15000  1.0 3.0
   43    40    50    51   0.15000  1.0 3.0
   43    40    50    52   0.15000  1.0 3.0
   43    40    50    53   0.15000  1.0 3.0
   43    58    60    61   0.15000  1.0 3.0
   43    58    60    62   0.15000  1.0 3.0
   43    58    60    65   0.56750  1.0 1.0
   43    58    60    65  -0.07550 -1.0 2.0
   43    58    60    65   0.20000  1.0 3.0
   43    58    63    64  -0.11600  1.0 1.0
   43    58    63    64  -0.09450 -1.0 2.0
   43    58    63    64   0.21250  1.0 3.0
   44    43    58    59   0.15000  1.0 3.0
   44    43    58    60   0.15000  1.0 3.0
   44    43    58    63   0.23400  1.0 3.0
   45    43    58    59   0.15000  1.0 3.0
   45    43    58    60   0.15000  1.0 3.0
   45    43    58    63   0.23400  1.0 3.0
   58    60   -65    37   0.34400  1.0 1.0
   58    60   -65    37   0.09450 -1.0 2.0
   58    60   -65    37   0.11100  1.0 3.0
   58    60    65    66   0.56750  1.0 1.0
   58    60    65    66  -0.07550 -1.0 2.0
   58    60    65    66   0.20000  1.0 3.0
   58    60    65    70   0.86500  1.0 1.0
   58    60    65    70  -0.17500 -1.0 2.0
   58    60    65    70   0.20800  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    65   0.15000  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   60    58    63    64  -0.11600  1.0 1.0
   60    58    63    64  -0.09450 -1.0 2.0
   60    58    63    64   0.21250  1.0 3.0
   60    65    66    67   0.15000  1.0 3.0
   60    65    66    68   0.15000  1.0 3.0
   60    65    66    69   0.15000  1.0 3.0
   60    65    70    71  -0.11600  1.0 1.0
   60    65    70    71  -0.09450 -1.0 2.0
   60    65    70    71   0.21250  1.0 3.0
   61    60    65    37   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    70   0.23400  1.0 3.0
   62    60    65    37   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    70   0.23400  1.0 3.0
   65    37   -40    43   0.46850  1.0 1.0
   65    37   -40    43   0.08550 -1.0 2.0
   65    37   -40    43   0.09800  1.0 3.0
   65    37    40    46   0.46850  1.0 1.0
   65    37    40    46   0.08550 -1.0 2.0
   65    37    40    46   0.09800  1.0 3.0
   65    37    40    50   0.46850  1.0 1.0
   65    37    40    50   0.08550 -1.0 2.0
   65    37    40    50   0.09800  1.0 3.0
   66    65    70    71  -0.11600  1.0 1.0
   66    65    70    71  -0.09450 -1.0 2.0
   66    65    70    71   0.21250  1.0 3.0
   70    65    66    67   0.23400  1.0 3.0
   70    65    66    68   0.23400  1.0 3.0
   70    65    66    69   0.23400  1.0 3.0
   63    58    60    61   0.23400  1.0 3.0
   63    58    60    62   0.23400  1.0 3.0
   63    58    60    65   0.86500  1.0 1.0
   63    58    60    65  -0.17500 -1.0 2.0
   63    58    60    65   0.20800  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40    43    58   0.56750  1.0 1.0
   46    40    43    58  -0.07550 -1.0 2.0
   46    40    43    58   0.20000  1.0 3.0
   46    40    50    51   0.15000  1.0 3.0
   46    40    50    52   0.15000  1.0 3.0
   46    40    50    53   0.15000  1.0 3.0
   50    40    43    44   0.15000  1.0 3.0
   50    40    43    45   0.15000  1.0 3.0
   50    40    43    58   0.56750  1.0 1.0
   50    40    43    58  -0.07550 -1.0 2.0
   50    40    43    58   0.20000  1.0 3.0
   50    40    46    47   0.15000  1.0 3.0
   50    40    46    48   0.15000  1.0 3.0
   50    40    46    49   0.15000  1.0 3.0
   38    33    37    40   7.00000 -1.0 2.0
   38    33    37    65   7.00000 -1.0 2.0
   38    41    54    55   0.00000  1.0 1.0
   38    41    54    56   0.00000  1.0 1.0
   38    41    54    57   0.00000  1.0 1.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    54   7.00000 -1.0 2.0
   42    41    54    55   0.00000  1.0 1.0
   42    41    54    56   0.00000  1.0 1.0
   42    41    54    57   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   29    38    33    37   1.10000 -1.0 2.0
   40    65    37    33   1.10000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   54    42    41    38  15.00000 -1.0 2.0
END
