* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    144    225     422
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065   104.82841   -32.80482
    3     1 S   H    _H1_     3     1.02082    67.45155    71.64634
    4     1 S   H    _H2_     4     1.02130    45.37083  -134.63845
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C16    36     1.84735    97.35714  -178.14903
   34    33 S   HC   _H3_    37     1.09727   103.91958    34.05965
   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   CM   _C10    38     1.50083   106.44577   -80.01855
   39    38 S   HC   _H25    39     1.09065   116.27819    85.69266
   40    38 S   CMA  _C11    40     1.34817   124.43871   -93.95084
   41    40 S   OM   _O19    41     1.26205   129.59411   179.39413
   42    40 S   CT   _C13    42     1.52588   118.80017     0.57811
   43    42 S   HC   _H28    43     1.10013   108.75382   105.14002
   44    42 S   HC   _H29    44     1.10244   108.98942  -140.25181
   45    42 S   CT   _C17    45     1.54204   117.72019   -19.85885
   46    45 S   HC   _H35    46     1.10149   107.03880  -122.23882
   47    33 S   CT   _C18    47     1.55688   117.26787   154.66368
   48    45 S   OS   _O20    56     1.45390   109.78042   124.94928
   49    47 S   CR3  _C7_    48     1.49714   113.72886   -35.83816
   50    47 S   CT   _C14    69     1.55422   112.42224  -164.02662
   51    50 S   HC   _H30    70     1.09798   108.97063   -59.61903
   52    50 S   HC   _H31    71     1.09909   109.83265  -174.02578
   53    49 S   CA   _C6_    49     1.38729   129.83154   -76.69322
   54    53 S   CA   _C4_    50     1.40603   117.29936   177.26047
   55    54 S   HA   _H23    51     1.08735   120.17563  -179.58457
   56    53 S   CT   _C12    62     1.50534   121.99445    -0.66969
   57    56 S   HC   _H26    63     1.09726   108.67504    67.97022
   58    56 S   HC   _H27    64     1.09812   109.17463  -178.85534
   59    54 S   CA   _C5_    52     1.40555   121.24444    -0.11014
   60    59 S   HA   _H24    53     1.08712   119.21246  -179.64173
   61    56 S   NT   _N18    65     1.46419   116.47377   -56.96008
   62    59 S   CA   _C9_    54     1.39320   120.58955    -0.10087
   63    61 S   CT   _C15    66     1.46285   114.98466    75.29176
   64    63 S   HC   _H32    67     1.09837   107.81831   171.16544
   65    63 S   HC   _H33    68     1.09576   109.05097    58.94603
   66    61 S   CT   _C19    72     1.45727   113.82520   -58.77711
   67    66 S   HC   _H36    73     1.09282   110.16827   180.00000
   68    66 S   HC   _H37    74     1.09351   110.22405    59.99184
   69    66 S   HC   _H38    75     1.09329   110.28239   -59.98157
   70    49 S   CA   _C8_    55     1.39295   109.22941   101.02300
   71    62 S   OS   _O21    57     1.35594   120.75703  -179.43559
   72    71 S   CT   _C20    58     1.42860   117.27269     0.09487
   73    72 S   HC   _H39    59     1.09288   109.51983   180.00000
   74    72 S   HC   _H40    60     1.09240   109.57782    59.21100
   75    72 S   HC   _H41    61     1.09219   109.00814   -60.46899
  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
  17   7   2   1   1  10   4   8   4   9   5   4  11   5  14   7
  15  10   5   4  12  10   4  12   4   3   5   3   7   6   6   2
   1   3   2   1   1   2   4   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    49    53    70    48    63    50    51    52  
   38    39    40    45    47    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    49    50  
   40    41    42    47  
   41    42    43    44    45    46    47    48  
   42    43    44    45  
   43    44    45    46    47    49    70    48    50  
   44    45    46    47    48  
   45    46    47    48  
   46    47    49    53    62    70    48    63    50    51    52  
   47    49    70    48    50  
   49    53    54    62    70    48    56    61    63    64    65    50    51    52  
   71    50    49    53    59    62    70  
   53    54    55    59    62    70    71    56    57    58    61    63    50    51    52  
   51    52    66    53    56    61    63    64    65    70  
   52    61    63    64    65  
   61    63    64    65  
   54    55    59    60    62    70    56    57    58    61    63    66  
   55    59    60    62    70    71    56    57    58    61  
   59    60    62    56  
   57    58    61    63    64    65    66    67    68    69    59    70  
   58    61    63    66  
   61    63    66  
   60    62    70    71    72  
   62    70    71  
   63    64    65    66    67    68    69  
   70    71    72    73    74    75  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    47   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   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    49   317.000  1.510
   47    50   268.000  1.529
   49    53   490.000  1.398
   49    70   490.000  1.398
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    70   469.000  1.400
   62    71   450.000  1.364
   70    48   450.000  1.364
   71    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   382.000  1.448
   61    63   382.000  1.448
   61    66   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    58.35000  112.70000
   33    47    49    70.00000  112.17500
   33    47    50    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    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    48    50.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    49    70.00000  112.17500
   45    47    50    58.35000  112.70000
   45    48    70    75.00000  111.00000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    45    46    37.50000  110.70000
   47    49    53    70.00000  120.00000
   47    49    70    70.00000  120.00000
   47    50    63    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   49    53    54    70.00000  112.88000
   49    53    56    80.00000  105.07000
   49    70    62    70.00000  112.88000
   49    70    48    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    75.00000  112.33000
   54    59    60    35.00000  120.00000
   54    59    62    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    62    70    63.00000  120.00000
   59    62    71    70.00000  120.00000
   62    59    60    35.00000  120.00000
   62    70    48    70.00000  120.00000
   62    71    72    75.00000  111.00000
   70    49    53    60.00000  130.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   71    62    70    70.00000  120.00000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   56    53    54    70.00000  120.00000
   56    61    63    51.80000  107.20000
   56    61    66    51.80000  107.20000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    50    56.20000  109.47000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   63    50    51    37.50000  110.70000
   63    50    52    37.50000  110.70000
   65    63    64    33.00000  107.80000
   50    47    49    70.00000  112.17500
   50    63    64    37.50000  110.70000
   50    63    65    37.50000  110.70000
   52    50    51    33.00000  107.80000
   66    61    63    51.80000  107.20000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    47    45   0.44750  1.0 1.0
   29    33    47    45  -0.17800 -1.0 2.0
   29    33    47    45   0.20200  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   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    47    49    53   0.04150 -1.0 2.0
   33    47    49    70   0.04150 -1.0 2.0
   33    47    50    63   0.56750  1.0 1.0
   33    47    50    63  -0.07550 -1.0 2.0
   33    47    50    63   0.20000  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  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    47    45   0.15000  1.0 3.0
   34    33    47    49   0.43200  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    49   0.21200  1.0 1.0
   38    33    47    49   0.16900 -1.0 2.0
   38    33    47    49  -1.15100  1.0 3.0
   38    33    47    50   0.34400  1.0 1.0
   38    33    47    50   0.09450 -1.0 2.0
   38    33    47    50   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   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
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    48   0.61850  1.0 1.0
   40    42    45    48  -0.22750 -1.0 2.0
   40    42    45    48   0.15300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   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
   42    45   -47    33   0.56750  1.0 1.0
   42    45   -47    33  -0.07550 -1.0 2.0
   42    45   -47    33   0.20000  1.0 3.0
   42    45    47    49  -0.03700  1.0 1.0
   42    45    47    49   0.37200 -1.0 2.0
   42    45    47    49  -0.47300  1.0 3.0
   42    45    47    50   0.56750  1.0 1.0
   42    45    47    50  -0.07550 -1.0 2.0
   42    45    47    50   0.20000  1.0 3.0
   42    45    48    70  -0.32850  1.0 1.0
   42    45    48    70  -0.35800 -1.0 2.0
   42    45    48    70   0.33950  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.23400  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.23400  1.0 3.0
   45    47    49    53   0.04150 -1.0 2.0
   45    47   -49    70   0.04150 -1.0 2.0
   45    47    50    63   0.56750  1.0 1.0
   45    47    50    63  -0.07550 -1.0 2.0
   45    47    50    63   0.20000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    49   0.43200  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    48    70   0.08050  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    45   -48    70  -0.32850  1.0 1.0
   47    45   -48    70  -0.35800 -1.0 2.0
   47    45   -48    70   0.33950  1.0 3.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    56   3.62500 -1.0 2.0
   47    49    70    62   3.62500 -1.0 2.0
   47    49   -70    48   3.62500 -1.0 2.0
   49    47    50    63  -0.03700  1.0 1.0
   49    47    50    63   0.37200 -1.0 2.0
   49    47    50    63  -0.47300  1.0 3.0
   49    47    50    51   0.43200  1.0 3.0
   49    47    50    52   0.43200  1.0 3.0
   49    53    54    55   3.62500 -1.0 2.0
   49    53    54    59   3.62500 -1.0 2.0
   49    53    56    57   0.00000  1.0 1.0
   49    53    56    58   0.00000  1.0 1.0
   49    53    56    61   0.18550 -1.0 2.0
   49    53    56    61   0.14000  1.0 3.0
   49    70   -48    45   1.63200 -1.0 2.0
   53    49    70    62   3.62500 -1.0 2.0
   53    49    70    48   3.62500 -1.0 2.0
   53    54    59    60   3.62500 -1.0 2.0
   53    54   -59    62   3.62500 -1.0 2.0
   53    56    61    63   0.82600  1.0 1.0
   53    56    61    63  -0.32100 -1.0 2.0
   53    56    61    63   1.02000  1.0 3.0
   53    56    61    66   0.82600  1.0 1.0
   53    56    61    66  -0.32100 -1.0 2.0
   53    56    61    66   1.02000  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    61   0.18550 -1.0 2.0
   54    53    56    61   0.14000  1.0 3.0
   54    59    62    70   3.62500 -1.0 2.0
   54    59    62    71   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    62   3.62500 -1.0 2.0
   59    62   -70    49   3.62500 -1.0 2.0
   59    62    70    48   3.62500 -1.0 2.0
   59    62    71    72   1.63200 -1.0 2.0
   60    59    62    70   3.62500 -1.0 2.0
   60    59    62    71   3.62500 -1.0 2.0
   62    70    48    45   1.63200 -1.0 2.0
   62    71    72    73   0.08050  1.0 3.0
   62    71    72    74   0.08050  1.0 3.0
   62    71    72    75   0.08050  1.0 3.0
   70    49   -53    54   3.62500 -1.0 2.0
   70    49    53    56   3.62500 -1.0 2.0
   70    62    71    72   1.63200 -1.0 2.0
   48    45    47    33   0.62750  1.0 1.0
   48    45    47    33  -0.30950 -1.0 2.0
   48    45    47    33   0.27300  1.0 3.0
   48    45   -47    49  -0.64350  1.0 1.0
   48    45   -47    49  -0.04200 -1.0 2.0
   48    45   -47    49   0.19800  1.0 3.0
   48    45    47    50   0.62750  1.0 1.0
   48    45    47    50  -0.30950 -1.0 2.0
   48    45    47    50   0.27300  1.0 3.0
   71    62    70    49   3.62500 -1.0 2.0
   71    62    70    48   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   56    61    63    64   0.28000  1.0 3.0
   56    61    63    65   0.28000  1.0 3.0
   56    61    63    50   0.23450  1.0 1.0
   56    61    63    50   0.02050 -1.0 2.0
   56    61    63    50   0.25250  1.0 3.0
   56    61    66    67   0.28000  1.0 3.0
   56    61    66    68   0.28000  1.0 3.0
   56    61    66    69   0.28000  1.0 3.0
   57    56    61    63   0.28000  1.0 3.0
   57    56    61    66   0.28000  1.0 3.0
   58    56    61    63   0.28000  1.0 3.0
   58    56    61    66   0.28000  1.0 3.0
   61    63    50    47   1.53400  1.0 1.0
   61    63    50    47  -0.09950 -1.0 2.0
   61    63    50    47   0.05700  1.0 3.0
   61    63    50    51   0.15000  1.0 3.0
   61    63    50    52   0.15000  1.0 3.0
   63    61    66    67   0.28000  1.0 3.0
   63    61    66    68   0.28000  1.0 3.0
   63    61    66    69   0.28000  1.0 3.0
   64    63    50    47   0.15000  1.0 3.0
   64    63    50    51   0.15000  1.0 3.0
   64    63    50    52   0.15000  1.0 3.0
   65    63    50    47   0.15000  1.0 3.0
   65    63    50    51   0.15000  1.0 3.0
   65    63    50    52   0.15000  1.0 3.0
   50    47    49    53   0.04150 -1.0 2.0
   50    47    49    70   0.04150 -1.0 2.0
   66    61    63    64   0.28000  1.0 3.0
   66    61    63    65   0.28000  1.0 3.0
   66    61    63    50   0.23450  1.0 1.0
   66    61    63    50   0.02050 -1.0 2.0
   66    61    63    50   0.25250  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
   53    70    49    47   4.00000 -1.0 2.0
   54    56    53    49   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   62    60    59    54   1.10000 -1.0 2.0
   70    71    62    59   4.00000 -1.0 2.0
   62    48    70    49   4.00000 -1.0 2.0
END
