* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    142    222     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113    88.21903   -71.94109
    3     1 S   H    _H1_     3     1.02076    92.24419    36.70759
    4     1 S   H    _H2_     4     1.02097    32.98920   158.51943
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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   CT   _C12    36     1.87658    96.48921  -178.13523
   34    33 S   HC   _H3_    37     1.09250   102.38538    33.16777
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C6_    38     1.55219   104.07151   -80.01721
   39    38 S   HC   _H20    39     1.10032   108.42984    44.76744
   40    38 S   HC   _H21    40     1.09647   110.37101   -70.16004
   41    33 S   CT   _C14    60     1.58000   112.60874   151.39425
   42    41 S   OM   _O15    61     1.32677   109.65245   -51.28403
   43    38 S   CT   _C5_    41     1.52520   118.25748   164.39712
   44    43 S   HC   _H18    42     1.09769   109.19721  -171.30096
   45    43 S   HC   _H19    43     1.08889   112.68572    72.84865
   46    41 S   CT   _C17    62     1.55296   110.81277    66.58110
   47    46 S   HC   _H37    63     1.08053   108.51561   -52.97102
   48    46 S   HC   _H38    64     1.08048   108.47371  -172.90013
   49    46 S   HC   _H39    65     1.08036   108.54544    67.05296
   50    43 S   CO4  _C4_    44     1.51566   112.45848   -52.93699
   51    50 S   O    _O16    45     1.23735   119.19764   -70.49622
   52    50 S   C4T  _C10    46     1.55454   116.97096   108.64034
   53    52 S   HC   _H28    47     1.10052   110.74153    44.33860
   54    52 S   C4T  _C9_    48     1.55403   117.28560   172.85894
   55    54 S   HC   _H26    49     1.09464   115.01303   -98.80651
   56    54 S   HC   _H27    50     1.09715   114.18638    26.90557
   57    52 S   C4T  _C11    52     1.56268   116.87003   -86.08041
   58    57 S   HC   _H29    53     1.09871   112.46244   -31.34328
   59    54 S   C4T  _C13    51     1.53653    87.98310   142.67146
   60    57 S   CT   _C7_    54     1.52029   119.48293   101.03974
   61    60 S   HC   _H22    55     1.09661   109.56223  -179.98022
   62    60 S   HC   _H23    56     1.09737   110.01952    64.62918
   63    60 S   CT   _C8_    57     1.53982   115.49395   -54.33513
   64    63 S   HC   _H24    58     1.09065   108.93403    60.98438
   65    63 S   HC   _H25    59     1.10427   104.52164   170.65944
   66    59 S   CT   _C15    66     1.51603   111.70545  -145.17342
   67    66 S   HC   _H31    67     1.09273   110.35196   180.00000
   68    66 S   HC   _H32    68     1.09293   110.40890    59.98045
   69    66 S   HC   _H33    69     1.09257   110.33074   -60.03094
   70    59 S   CT   _C16    70     1.51253   113.54900    90.43001
   71    70 S   HC   _H34    71     1.09333   110.52948  -179.97202
   72    70 S   HC   _H35    72     1.09391   110.51884    60.02442
   73    70 S   HC   _H36    73     1.09424   110.54327   -59.93481
  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  10   5   4   3
  18   8   2   1   1  12   6   5  13   8   8   4   3   7   3   2
   1  10   4  13   7  14   5   4  16   7  12   7   4   3   2   1
   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    63    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    60    63    64    65    41    42    46    47    48    49  
   38    39    40    43    63    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    52    63    41    42    46  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    43    57    60    61    62    63    64    65  
   46    47    48    49    60    63    64    65  
   44    45    50    51    52    53    54    57  
   45    50    51    52  
   50    51    52  
   47    48    49    60    63    64    65  
   48    49    63  
   49    63  
   63  
   51    52    53    54    55    56    59    57    58    60  
   52    53    54    57  
   53    54    55    56    59    57    58    60    61    62    63    66    70  
   54    55    56    59    57    58    60  
   55    56    59    57    58    60    66    67    68    69    70    71    72    73  
   56    59    57    66    70  
   59    57    66    70  
   58    60    61    62    63    64    65    66    67    68    69    70    71    72    73    59  
   60    61    62    63    66    70    59  
   60    61    62    63    66    67    68    69    70    71    72    73  
   61    62    63    64    65    66    70  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   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   3.7500   0.1050   0.447300   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.037300   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.061200   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.121200   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   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.522
   50    51   570.000  1.229
   50    52   265.000  1.493
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    57   268.000  1.529
   59    66   260.000  1.519
   59    70   260.000  1.519
   57    58   340.000  1.090
   57    60   260.000  1.519
   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   340.000  1.090
   63    41   268.000  1.529
   41    42   570.000  1.307
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    63    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    63.00000  111.10000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    80.00000  120.40000
   43    50    52    70.00000  116.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    52    53    40.00000  111.84800
   50    52    54    80.00000  115.07000
   50    52    57    80.00000  115.07000
   52    50    51    65.00000  127.62700
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    59    63.00000   92.00000
   52    57    59    63.00000   92.00000
   52    57    58    37.50000  110.70000
   52    57    60    65.00000  119.52000
   54    52    53    37.50000  110.70000
   54    59    57    63.00000   92.00000
   54    59    66    65.00000  119.52000
   54    59    70    65.00000  119.52000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    57    60    65.00000  119.52000
   59    66    67    45.00000  111.22300
   59    66    68    45.00000  111.22300
   59    66    69    45.00000  111.22300
   59    70    71    45.00000  111.22300
   59    70    72    45.00000  111.22300
   59    70    73    45.00000  111.22300
   57    52    53    37.50000  110.70000
   57    52    54    63.00000   92.00000
   57    60    61    45.00000  111.22300
   57    60    62    45.00000  111.22300
   57    60    63    70.00000  112.98000
   60    57    58    45.00000  112.72800
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    41    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    41    42    50.00000  109.50000
   63    41    46    58.35000  112.70000
   65    63    64    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    63    64    37.50000  110.70000
   41    63    65    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   66    59    57    65.00000  119.52000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    59    57    65.00000  119.52000
   70    59    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    63   0.44750  1.0 1.0
   29    33    41    63  -0.17800 -1.0 2.0
   29    33    41    63   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50  -0.95700  1.0 1.0
   33    38    43    50  -0.18200 -1.0 2.0
   33    38    43    50   0.29450  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    63   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    63   0.56750  1.0 1.0
   38    33    41    63  -0.07550 -1.0 2.0
   38    33    41    63   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.30150 -1.0 2.0
   38    43    50    52   0.60050  1.0 1.0
   38    43    50    52   0.05600 -1.0 2.0
   38    43    50    52   0.26150  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50  -0.11250  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50  -0.11250  1.0 3.0
   43    50    52    53   0.00000  1.0 1.0
   43    50    52    54   0.60050  1.0 1.0
   43    50    52    54   0.05600 -1.0 2.0
   43    50    52    54   0.26150  1.0 3.0
   43    50    52    57   0.60050  1.0 1.0
   43    50    52    57   0.05600 -1.0 2.0
   43    50    52    57   0.26150  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    52   0.00000  1.0 1.0
   45    43    50    51   0.00000  1.0 1.0
   45    43    50    52   0.00000  1.0 1.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    56   0.15000  1.0 3.0
   50    52    54    59   0.00000  1.0 1.0
   50    52   -57    59   0.00000  1.0 1.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    60  -0.95700  1.0 1.0
   50    52    57    60  -0.18200 -1.0 2.0
   50    52    57    60   0.29450  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54  -0.11250  1.0 1.0
   51    50    52    54   0.11400 -1.0 2.0
   51    50    52    54  -0.28950  1.0 3.0
   51    50    52    57  -0.11250  1.0 1.0
   51    50    52    57   0.11400 -1.0 2.0
   51    50    52    57  -0.28950  1.0 3.0
   52    54   -59    57   0.00000  1.0 1.0
   52    54    59    66  -0.70950  1.0 1.0
   52    54    59    66   0.38400 -1.0 2.0
   52    54    59    70  -0.70950  1.0 1.0
   52    54    59    70   0.38400 -1.0 2.0
   52    57    60    61   0.00000  1.0 1.0
   52    57    60    62   0.00000  1.0 1.0
   52    57    60    63   0.04050  1.0 1.0
   52    57    60    63   0.63700 -1.0 2.0
   52    57    60    63   0.17650  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52   -57    59   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   54    52   -57    59   0.00000  1.0 1.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    60  -0.70950  1.0 1.0
   54    52    57    60   0.38400 -1.0 2.0
   54    59   -57    52   0.00000  1.0 1.0
   54    59   -57    58   0.15000  1.0 3.0
   54    59   -57    60  -0.70950  1.0 1.0
   54    59   -57    60   0.38400 -1.0 2.0
   54    59    66    67   0.00000  1.0 1.0
   54    59    66    68   0.00000  1.0 1.0
   54    59    66    69   0.00000  1.0 1.0
   54    59    70    71   0.00000  1.0 1.0
   54    59    70    72   0.00000  1.0 1.0
   54    59    70    73   0.00000  1.0 1.0
   55    54    59    57   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   55    54    59    70   0.15000  1.0 3.0
   56    54    59    57   0.15000  1.0 3.0
   56    54    59    66   0.15000  1.0 3.0
   56    54    59    70   0.15000  1.0 3.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   59    57    60    63   0.04050  1.0 1.0
   59    57    60    63   0.63700 -1.0 2.0
   59    57    60    63   0.17650  1.0 3.0
   57    52   -54    55   0.15000  1.0 3.0
   57    52   -54    56   0.15000  1.0 3.0
   57    52   -54    59   0.00000  1.0 1.0
   57    59    66    67   0.00000  1.0 1.0
   57    59    66    68   0.00000  1.0 1.0
   57    59    66    69   0.00000  1.0 1.0
   57    59    70    71   0.00000  1.0 1.0
   57    59    70    72   0.00000  1.0 1.0
   57    59    70    73   0.00000  1.0 1.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    41   0.31550 -1.0 2.0
   57    60    63    41   0.11250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   60    63    41    33   0.56750  1.0 1.0
   60    63    41    33  -0.07550 -1.0 2.0
   60    63    41    33   0.20000  1.0 3.0
   60    63    41    42   0.62750  1.0 1.0
   60    63    41    42  -0.30950 -1.0 2.0
   60    63    41    42   0.27300  1.0 3.0
   60    63    41    46   0.56750  1.0 1.0
   60    63    41    46  -0.07550 -1.0 2.0
   60    63    41    46   0.20000  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    41   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    41   0.15000  1.0 3.0
   63    41    46    47   0.15000  1.0 3.0
   63    41    46    48   0.15000  1.0 3.0
   63    41    46    49   0.15000  1.0 3.0
   64    63    41    33   0.15000  1.0 3.0
   64    63    41    42   0.23400  1.0 3.0
   64    63    41    46   0.15000  1.0 3.0
   65    63    41    33   0.15000  1.0 3.0
   65    63    41    42   0.23400  1.0 3.0
   65    63    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   66    59   -57    52  -0.70950  1.0 1.0
   66    59   -57    52   0.38400 -1.0 2.0
   66    59    57    58   0.15000  1.0 3.0
   66    59    57    60   0.56750  1.0 1.0
   66    59    57    60  -0.07550 -1.0 2.0
   66    59    57    60   0.20000  1.0 3.0
   66    59    70    71   0.15000  1.0 3.0
   66    59    70    72   0.15000  1.0 3.0
   66    59    70    73   0.15000  1.0 3.0
   70    59   -57    52  -0.70950  1.0 1.0
   70    59   -57    52   0.38400 -1.0 2.0
   70    59    57    58   0.15000  1.0 3.0
   70    59    57    60   0.56750  1.0 1.0
   70    59    57    60  -0.07550 -1.0 2.0
   70    59    57    60   0.20000  1.0 3.0
   70    59    66    67   0.15000  1.0 3.0
   70    59    66    68   0.15000  1.0 3.0
   70    59    66    69   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
   43    52    50    51  10.50000 -1.0 2.0
END
