* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    146    237     434
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02074    81.07183    53.62763
    3     1 S   H    _H1_     3     1.02144    35.53405  -165.36378
    4     1 S   H    _H2_     4     1.02073    97.96794   -54.18075
    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     1.08584   110.00631   179.17671
   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   _C19    36     1.87243    96.72502   161.86171
   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   CT   _C14    37     1.55628   108.54895    59.96677
   38    37 S   HC   _H33    38     1.09820   110.14652   -24.10992
   39    37 S   HC   _H34    39     1.09848   109.47123  -138.53909
   40    33 S   CT   _C16    50     1.54794   114.63107  -177.59930
   41    40 S   HC   _H36    51     1.10192   105.96689   162.15749
   42    37 S   CT   _C17    40     1.55188   114.63857    98.67576
   43    42 S   HC   _H37    41     1.09542   110.14975  -155.20600
   44    40 S   CO4  _C10    52     1.51788   108.52718    54.23418
   45    44 S   O    _O19    53     1.22694   123.65330  -139.95849
   46    42 S   CT   _C12    42     1.54740   111.79222    83.09245
   47    46 S   HC   _H29    43     1.09657   111.14332   140.64716
   48    46 S   HC   _H30    44     1.09437   112.68990    19.40681
   49    44 S   CT   _C11    54     1.51974   114.49644    40.35781
   50    49 S   HC   _H27    55     1.09630   108.77385   135.33200
   51    49 S   HC   _H28    56     1.09503   107.95005  -107.43407
   52    46 S   CT   _C13    45     1.54167   104.67843  -101.48178
   53    52 S   HC   _H31    46     1.09523   112.20772   138.67777
   54    52 S   HC   _H32    47     1.09807   109.71823  -102.42705
   55    49 S   CT   _C15    57     1.54237   110.37429    14.49774
   56    55 S   HC   _H35    58     1.11195   109.05539    67.35255
   57    52 S   CT   _C18    48     1.54221   103.19177    15.43140
   58    57 S   HC   _H38    49     1.09331   110.24302  -159.84746
   59    55 S   CA   _C9_    59     1.51368   111.00194  -175.62364
   60    33 S   OS   _O20    70     1.44417   106.42046   -56.08721
   61    59 S   CA   _C7_    60     1.39509   120.00115    89.98250
   62    61 S   HA   _H25    61     1.08672   120.45074     0.04846
   63    42 S   NT   _N18    71     1.45060   113.68410   -27.15280
   64    61 S   CA   _C5_    62     1.39443   120.02359  -179.96574
   65    64 S   HA   _H23    63     1.08605   119.97497  -179.92087
   66    63 S   CT   _C20    72     1.43373   121.77436   -73.44736
   67    66 S   HC   _H39    73     1.09262   110.18639  -180.00000
   68    66 S   HC   _H40    74     1.09341   110.26175    59.94504
   69    66 S   HC   _H41    75     1.09391   110.21264   -60.01440
   70    64 S   CA   _C4_    64     1.39520   119.97818    -0.00000
   71    70 S   HA   _H22    65     1.08625   119.97506  -179.91607
   72    70 S   CA   _C6_    66     1.39440   120.04635     0.00000
   73    72 S   HA   _H24    67     1.08564   120.04281  -179.92338
   74    59 S   CA   _C8_    68     1.39520   120.00062   -89.98536
   75    74 S   HA   _H26    69     1.08659   120.57573    -0.01978
  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  11   5   4   3
  19   2   1   1  16   7   6  17   8  15   7  12   5   9   6   5
   9   5   4   6   4   3   9   4   7   2  10   2   8   4   4   6
   3   3   2   1   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    60    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    57    40    41    44    55    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    52    57    58    40    41    44    45    49    55    56    59    60    63  
   35    36  
   36  
    0  
   38    39    42    43    46    47    48    52    57    40    41    44    55    60    63    66  
   39    42    43    46    40    60    63  
   42    43    46    40    60    63  
   41    44    45    49    50    51    55    60    63    66    42    46    52    53    54    57    58  
   44    45    49    60    63    52    57    58  
   43    46    47    48    52    53    54    57    58    60    63    66    67    68    69  
   46    47    48    52    57    63    66  
   45    49    50    51    55    56    59    60    63    52    57    58  
   49    50    51    55    57  
   47    48    52    53    54    57    58    63    66  
   48    52    53    54    57    63  
   52    53    54    57    63  
   50    51    55    56    59    61    74    60    57  
   51    55    56    59    60  
   55    56    59    60  
   53    54    57    58    63    66  
   54    57    58    63  
   57    58    63  
   56    59    61    62    64    72    74    75    60  
   59    61    74    60  
   58    60    63    66    67    68    69  
   63    66  
   61    62    64    65    70    72    73    74    75    60  
   61    74  
   62    64    65    70    71    72    74    75  
   64    65    70    74  
   66    67    68    69  
   65    70    71    72    73    74  
   70    71    72  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73    74  
   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  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    60   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    63   382.000  1.448
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    40   268.000  1.529
   57    63   382.000  1.448
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    59   317.000  1.510
   55    60   320.000  1.410
   59    61   469.000  1.400
   59    74   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   63    66   382.000  1.448
   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    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    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    60    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    40    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    60    55    60.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    63    56.20000  109.47000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    58.35000  112.70000
   42    63    57    51.80000  107.20000
   42    63    66    51.80000  107.20000
   46    42    43    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    40    58.35000  112.70000
   52    57    63    56.20000  109.47000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    40    41    37.50000  110.70000
   57    40    44    63.00000  111.10000
   57    63    66    51.80000  107.20000
   40    33    37    58.35000  112.70000
   40    57    58    37.50000  110.70000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.00000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    55    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    55    56    37.50000  110.70000
   49    55    59    70.00000  112.17500
   49    55    60    50.00000  109.50000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    59    61    70.00000  120.00000
   55    59    74    70.00000  120.00000
   59    55    56    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    64    63.00000  120.00000
   59    74    72    63.00000  120.00000
   59    74    75    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    70    63.00000  120.00000
   64    61    62    35.00000  120.00000
   64    70    71    35.00000  120.00000
   64    70    72    63.00000  120.00000
   70    64    65    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   74    59    61    63.00000  120.00000
   74    72    73    35.00000  120.00000
   60    33    37    50.00000  109.50000
   60    33    40    50.00000  109.50000
   60    55    56    35.00000  109.50000
   60    55    59    85.00000  111.85700
   63    42    43    35.00000  109.50000
   63    42    46    56.20000  109.47000
   63    57    58    35.00000  109.50000
   63    57    40    56.20000  109.47000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    40    57   0.44750  1.0 1.0
   29    33    40    57  -0.17800 -1.0 2.0
   29    33    40    57   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    60    55   0.14700  1.0 1.0
   29    33    60    55  -1.16150 -1.0 2.0
   29    33    60    55   0.48700  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.56750  1.0 1.0
   33    37    42    46  -0.07550 -1.0 2.0
   33    37    42    46   0.20000  1.0 3.0
   33    37    42    63   1.53400  1.0 1.0
   33    37    42    63  -0.09950 -1.0 2.0
   33    37    42    63   0.05700  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   0.60050  1.0 1.0
   33    40    44    49   0.05600 -1.0 2.0
   33    40    44    49   0.26150  1.0 3.0
   37    33    40    57   0.56750  1.0 1.0
   37    33    40    57  -0.07550 -1.0 2.0
   37    33    40    57   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44  -0.95700  1.0 1.0
   37    33    40    44  -0.18200 -1.0 2.0
   37    33    40    44   0.29450  1.0 3.0
   37    33    60    55   0.06250  1.0 1.0
   37    33    60    55  -0.01100 -1.0 2.0
   37    33    60    55   0.28050  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42    46    52   0.56750  1.0 1.0
   37    42    46    52  -0.07550 -1.0 2.0
   37    42    46    52   0.20000  1.0 3.0
   37    42   -63    57   0.23450  1.0 1.0
   37    42   -63    57   0.02050 -1.0 2.0
   37    42   -63    57   0.25250  1.0 3.0
   37    42    63    66   0.58650  1.0 1.0
   37    42    63    66   0.12600 -1.0 2.0
   37    42    63    66   0.33350  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    63   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    46   0.15000  1.0 3.0
   39    37    42    63   0.15000  1.0 3.0
   42    46    52    53   0.15000  1.0 3.0
   42    46    52    54   0.15000  1.0 3.0
   42    46   -52    57   0.56750  1.0 1.0
   42    46   -52    57  -0.07550 -1.0 2.0
   42    46   -52    57   0.20000  1.0 3.0
   42    63    66    67   0.28000  1.0 3.0
   42    63    66    68   0.28000  1.0 3.0
   42    63    66    69   0.28000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.15000  1.0 3.0
   43    42    63    57   0.28000  1.0 3.0
   43    42    63    66   0.28000  1.0 3.0
   46    42   -63    57   0.23450  1.0 1.0
   46    42   -63    57   0.02050 -1.0 2.0
   46    42   -63    57   0.25250  1.0 3.0
   46    42    63    66   0.58650  1.0 1.0
   46    42    63    66   0.12600 -1.0 2.0
   46    42    63    66   0.33350  1.0 3.0
   46    52    57    58   0.15000  1.0 3.0
   46    52    57    40   0.56750  1.0 1.0
   46    52    57    40  -0.07550 -1.0 2.0
   46    52    57    40   0.20000  1.0 3.0
   46    52   -57    63   1.53400  1.0 1.0
   46    52   -57    63  -0.09950 -1.0 2.0
   46    52   -57    63   0.05700  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    57   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    54   0.15000  1.0 3.0
   48    46    52    57   0.15000  1.0 3.0
   52    57    40    33   0.56750  1.0 1.0
   52    57    40    33  -0.07550 -1.0 2.0
   52    57    40    33   0.20000  1.0 3.0
   52    57    40    41   0.15000  1.0 3.0
   52    57    40    44  -0.95700  1.0 1.0
   52    57    40    44  -0.18200 -1.0 2.0
   52    57    40    44   0.29450  1.0 3.0
   52    57   -63    42   0.23450  1.0 1.0
   52    57   -63    42   0.02050 -1.0 2.0
   52    57   -63    42   0.25250  1.0 3.0
   52    57    63    66   0.58650  1.0 1.0
   52    57    63    66   0.12600 -1.0 2.0
   52    57    63    66   0.33350  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    40   0.15000  1.0 3.0
   53    52    57    63   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    40   0.15000  1.0 3.0
   54    52    57    63   0.15000  1.0 3.0
   57    40    44    45   0.30150 -1.0 2.0
   57    40    44    49   0.60050  1.0 1.0
   57    40    44    49   0.05600 -1.0 2.0
   57    40    44    49   0.26150  1.0 3.0
   57    63    66    67   0.28000  1.0 3.0
   57    63    66    68   0.28000  1.0 3.0
   57    63    66    69   0.28000  1.0 3.0
   58    57    40    33   0.15000  1.0 3.0
   58    57    40    41   0.15000  1.0 3.0
   58    57    40    44  -0.11250  1.0 3.0
   58    57    63    42   0.28000  1.0 3.0
   58    57    63    66   0.28000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    60    55   0.06250  1.0 1.0
   40    33    60    55  -0.01100 -1.0 2.0
   40    33    60    55   0.28050  1.0 3.0
   40    57   -63    42   0.23450  1.0 1.0
   40    57   -63    42   0.02050 -1.0 2.0
   40    57   -63    42   0.25250  1.0 3.0
   40    57    63    66   0.58650  1.0 1.0
   40    57    63    66   0.12600 -1.0 2.0
   40    57    63    66   0.33350  1.0 3.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    51   0.00000  1.0 1.0
   40    44   -49    55   0.60050  1.0 1.0
   40    44   -49    55   0.05600 -1.0 2.0
   40    44   -49    55   0.26150  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   44    49    55    56  -0.11250  1.0 3.0
   44    49    55    59   0.56750  1.0 1.0
   44    49    55    59  -0.07550 -1.0 2.0
   44    49    55    59   0.20000  1.0 3.0
   44    49    55    60  -0.09450  1.0 1.0
   44    49    55    60  -1.12950 -1.0 2.0
   44    49    55    60   0.54000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    55   0.30150 -1.0 2.0
   49    55    59    61   0.04150 -1.0 2.0
   49    55    59    74   0.04150 -1.0 2.0
   49    55   -60    33   0.06250  1.0 1.0
   49    55   -60    33  -0.01100 -1.0 2.0
   49    55   -60    33   0.28050  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    59   0.43200  1.0 3.0
   50    49    55    60   0.23400  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    59   0.43200  1.0 3.0
   51    49    55    60   0.23400  1.0 3.0
   55    59    61    62   3.62500 -1.0 2.0
   55    59    61    64   3.62500 -1.0 2.0
   55    59    74    72   3.62500 -1.0 2.0
   55    59    74    75   3.62500 -1.0 2.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    74   0.00000  1.0 1.0
   56    55    60    33   0.37050  1.0 3.0
   59    55    60    33   0.37500  1.0 3.0
   59    61    64    65   3.62500 -1.0 2.0
   59    61    64    70   3.62500 -1.0 2.0
   61    59    74    72   3.62500 -1.0 2.0
   61    59    74    75   3.62500 -1.0 2.0
   61    64    70    71   3.62500 -1.0 2.0
   61    64   -70    72   3.62500 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    70   3.62500 -1.0 2.0
   64    70    72    73   3.62500 -1.0 2.0
   64    70    72    74   3.62500 -1.0 2.0
   65    64    70    71   3.62500 -1.0 2.0
   65    64    70    72   3.62500 -1.0 2.0
   70    72   -74    59   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   73    72    74    59   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    59    61    62   3.62500 -1.0 2.0
   74    59   -61    64   3.62500 -1.0 2.0
   60    33    37    38   0.23400  1.0 3.0
   60    33    37    39   0.23400  1.0 3.0
   60    33    37    42   0.62750  1.0 1.0
   60    33    37    42  -0.30950 -1.0 2.0
   60    33    37    42   0.27300  1.0 3.0
   60    33    40    57   0.62750  1.0 1.0
   60    33    40    57  -0.30950 -1.0 2.0
   60    33    40    57   0.27300  1.0 3.0
   60    33    40    41   0.23400  1.0 3.0
   60    33   -40    44  -0.09450  1.0 1.0
   60    33   -40    44  -1.12950 -1.0 2.0
   60    33   -40    44   0.54000  1.0 3.0
   60    55    59    61   0.64500  1.0 1.0
   60    55    59    61   0.14800 -1.0 2.0
   60    55    59    61   0.20650  1.0 3.0
   60    55    59    74   0.64500  1.0 1.0
   60    55    59    74   0.14800 -1.0 2.0
   60    55    59    74   0.20650  1.0 3.0
   63    42    46    47   0.15000  1.0 3.0
   63    42    46    48   0.15000  1.0 3.0
   63    42   -46    52   1.53400  1.0 1.0
   63    42   -46    52  -0.09950 -1.0 2.0
   63    42   -46    52   0.05700  1.0 3.0
   63    57   -40    33   1.53400  1.0 1.0
   63    57   -40    33  -0.09950 -1.0 2.0
   63    57   -40    33   0.05700  1.0 3.0
   63    57    40    41   0.15000  1.0 3.0
   63    57    40    44  -3.56550  1.0 1.0
   63    57    40    44  -0.67500 -1.0 2.0
   63    57    40    44   1.11300  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
   36    30    34    35  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   61    74    59    55   4.00000 -1.0 2.0
   64    62    61    59   1.10000 -1.0 2.0
   70    65    64    61   1.10000 -1.0 2.0
   72    71    70    64   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    59   1.10000 -1.0 2.0
END
