* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    140    218     418
    1     0 S   NP   _N1_     1    28.99273    97.64041   -20.78463
    2     1 S   H    _HN1     2     1.02830    53.04042   149.17350
    3     1 S   H    _H1_     3     1.02787    88.92633   -97.35142
    4     1 S   H    _H2_     4     1.02950    66.96129    13.14795
    5     1 S   CT   _CA1     5     1.50115   157.69987   100.97941
    6     5 S   HC   _HA1     6     1.09572   105.19522    98.85581
    7     5 S   CO3  _C1_     7     1.53788   112.40707   -21.38585
    8     7 S   O2Z  _O11     8     1.26373   115.01107   -43.64541
    9     7 S   O2Z  _O12     9     1.26232   114.94399   135.41329
   10     5 S   CT   _CB1    10     1.53069   107.41349  -143.17234
   11    10 S   HC   HB11    11     1.09834   109.38971   -49.57032
   12    10 S   HC   HB12    12     1.09812   110.45133    67.03928
   13    10 S   CT   _CG1    13     1.52989   112.60122  -170.52950
   14    13 S   HC   HG11    14     1.09588   110.64573   -65.36636
   15    13 S   HC   HG12    15     1.09668   109.79423    53.87049
   16    13 S   C    _CD1    16     1.51803   112.17137   174.34064
   17    16 S   O    _OE1    17     1.22736   123.26893     7.22173
   18    16 S   N    _N2_    18     1.38600   111.66448  -172.91989
   19    18 S   H    _HN2    19     1.01593   119.01244     1.78498
   20    18 S   CT1  _CA2    20     1.46197   123.49981   178.35527
   21    20 S   HC   _HA2    21     1.09737   109.34161     3.34029
   22    20 S   C    _C2_    22     1.53604   108.89180  -112.16891
   23    22 S   O    _O2_    23     1.23073   122.24429  -150.53984
   24    20 S   CT   _CB2    32     1.53477   111.35167   125.34422
   25    24 S   HC   HB21    33     1.09361   109.41930    56.70586
   26    24 S   HC   HB22    34     1.09457   109.66485   175.20184
   27    22 S   N    _N3_    24     1.38324   113.81132    37.06175
   28    27 S   H    _HN3    25     1.01572   119.53824    -3.57719
   29    24 S   S    _SG2    35     1.83367   110.93635   -65.98741
   30    27 S   CT   _CA3    26     1.45272   123.23156   177.10146
   31    30 S   HC   HA31    27     1.09548   107.53231   -64.27632
   32    30 S   HC   HA32    28     1.09557   107.96445    52.16153
   33    29 S   CT   _C15    36     1.89000   103.29736   156.49459
   34    30 S   CO3  _C3_    29     1.52957   114.07860   174.16286
   35    34 S   O2Z  _O31    30     1.26376   116.07893     0.08847
   36    34 S   O2Z  _O32    31     1.26429   114.41036  -179.86878
   37    33 S   CM   _C4_    37     1.53683   108.54575   -57.24027
   38    33 S   CT   _C14    55     1.56515   107.77121  -176.02822
   39    38 S   HC   _H30    56     1.09659   107.05296    73.49394
   40    37 S   CMA  _C5_    38     1.34756   113.14171   128.97100
   41    40 S   OM   _O16    39     1.25748   135.31501   179.50862
   42    38 S   OH   _O17    57     1.43368   111.65221   -39.43421
   43    42 S   HO   _H40    58     0.97205   107.59421   168.04879
   44    37 S   CT   _C16    71     1.50337   122.71883   -52.49571
   45    44 S   HC   _H31    72     1.09291   111.24528   -57.59850
   46    44 S   HC   _H32    73     1.09518   112.02484  -176.95021
   47    44 S   HC   _H33    74     1.09272   111.40686    63.56212
   48    40 S   CT   _C8_    40     1.50558   110.32288     1.50441
   49    48 S   HC   _H21    41     1.09391   109.58023   107.29332
   50    48 S   HC   _H22    42     1.09853   112.53369  -132.92206
   51    33 S   CT   _C12    43     1.55853   111.06833    53.66784
   52    51 S   HC   _H28    44     1.09805   108.02608   -24.98000
   53    51 S   CT   _C13    45     1.54542   122.07678    94.46467
   54    53 S   HC   _H29    46     1.10188   104.46433  -174.55533
   55    53 S   CT   _C10    47     1.53462   117.00345    71.13840
   56    55 S   HC   _H25    48     1.09915   107.91978   174.10708
   57    55 S   HC   _H26    49     1.09569   109.81813    61.14391
   58    53 S   CT   _C18    67     1.53065   113.31455   -61.81522
   59    58 S   HC   _H37    68     1.08870   113.22291    72.63346
   60    58 S   HC   _H38    69     1.09516   110.81282   -49.03097
   61    58 S   HC   _H39    70     1.09592   110.22971  -167.47944
   62    55 S   CT   _C9_    50     1.52350   118.30537   -64.02740
   63    62 S   HC   _H23    51     1.09920   106.09573   178.64477
   64    62 S   HC   _H24    52     1.09606   109.12404   -68.34503
   65    62 S   CT   _C11    53     1.54414   115.27342    58.18160
   66    65 S   HC   _H27    54     1.09610   107.36519    44.83900
   67    65 S   CM   _C7_    59     1.53822   112.11588   159.68984
   68    67 S   CM   _C6_    60     1.34393   124.61792    31.47314
   69    68 S   HC   _H19    61     1.08547   121.25417  -179.59944
   70    68 S   HC   _H20    62     1.08400   122.18596     0.92217
   71    67 S   CT   _C17    63     1.50756   115.32919  -147.88992
   72    71 S   HC   _H34    64     1.09395   110.69584   -59.93681
   73    71 S   HC   _H35    65     1.09492   110.22814    60.12041
   74    71 S   HC   _H36    66     1.09525   112.20957   179.94766
  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  12   5   4   3
  24   2   1   1  16  18   7  11   5   6   1   5   2   1   1   8
   4   3  12   4  12   8  12   6   5   4   2   1   1   7   4   3
   9   3   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    51    52    53    65    38    39    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    48    49    50    51    52    53    54    55    62    65    66    38    39    42    43    67    58    44    45    46    47  
   35    36  
   36  
    0  
   40    41    48    49    50    51    52    53    65    38    39    42    44    45    46    47  
   39    42    43    67    68    71    44    40    48    51    52    53    55    62    63    64    65    66  
   42    43    67    51    62    65    66  
   41    48    49    50    51    52    53    44    45    46    47  
   48    49    50    51    44  
   43    67    51    62    65    66  
   65  
   45    46    47    48    51  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55    58  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    62    65    58    59    60    61  
   53    54    55    58  
   54    55    56    57    62    63    64    65    58    59    60    61  
   55    56    57    62    58    59    60    61  
   56    57    62    63    64    65    66    67    58    59    60    61  
   57    62    63    64    65    58  
   62    63    64    65    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    71  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72    73    74  
   67    68    71  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   0.167500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   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    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   317.000  1.510
   33    51   268.000  1.529
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    44   317.000  1.510
   40    41   745.000  1.250
   40    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    38   268.000  1.529
   65    67   317.000  1.510
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    43   553.000  0.945
   67    68   549.000  1.340
   67    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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  112.20000
   29    33    51    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    38    65    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    48    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   40    48    49    45.00000  110.52000
   40    48    50    45.00000  110.52000
   40    48    51    70.00000  112.02700
   48    40    41    85.00000  112.85300
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    70.00000  112.02700
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    58    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    62    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    38    58.35000  112.70000
   62    65    67    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    38    39    37.50000  110.70000
   65    38    42    50.00000  109.50000
   65    67    68    70.00000  124.00000
   65    67    71    65.00000  117.92700
   38    33    37    70.00000  112.02700
   38    33    51    58.35000  112.70000
   38    65    66    37.50000  110.70000
   38    42    43    55.00000  108.50000
   42    38    39    35.00000  109.50000
   67    65    66    35.00000  109.50000
   67    65    38    70.00000  112.02700
   67    68    69    35.00000  120.00000
   67    68    70    35.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    67    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   44    37    40    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    38    65   0.44750  1.0 1.0
   29    33    38    65  -0.17800 -1.0 2.0
   29    33    38    65   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    48   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.56750  1.0 1.0
   33    51    53    55  -0.07550 -1.0 2.0
   33    51    53    55   0.20000  1.0 3.0
   33    51    53    58   0.56750  1.0 1.0
   33    51    53    58  -0.07550 -1.0 2.0
   33    51    53    58   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   37    33   -51    48   0.34400  1.0 1.0
   37    33   -51    48   0.09450 -1.0 2.0
   37    33   -51    48   0.11100  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.34400  1.0 1.0
   37    33    51    53   0.09450 -1.0 2.0
   37    33    51    53   0.11100  1.0 3.0
   37    33    38    65   0.34400  1.0 1.0
   37    33    38    65   0.09450 -1.0 2.0
   37    33    38    65   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    42   1.05650  1.0 1.0
   37    33    38    42   0.15600 -1.0 2.0
   37    33    38    42   0.53150  1.0 3.0
   37    40    48    49   0.00000  1.0 1.0
   37    40    48    50   0.00000  1.0 1.0
   37    40   -48    51   0.09850  1.0 1.0
   37    40   -48    51   0.15250 -1.0 2.0
   37    40   -48    51  -0.50650  1.0 3.0
   40    37    44    45   0.00000  1.0 1.0
   40    37    44    46   0.00000  1.0 1.0
   40    37    44    47   0.00000  1.0 1.0
   40    48   -51    33   0.34400  1.0 1.0
   40    48   -51    33   0.09450 -1.0 2.0
   40    48   -51    33   0.11100  1.0 3.0
   40    48    51    52   0.15000  1.0 3.0
   40    48    51    53   0.34400  1.0 1.0
   40    48    51    53   0.09450 -1.0 2.0
   40    48    51    53   0.11100  1.0 3.0
   41    40    48    49   0.00000  1.0 1.0
   41    40    48    50   0.00000  1.0 1.0
   41    40    48    51   0.09700  1.0 1.0
   41    40    48    51   0.15600 -1.0 2.0
   41    40    48    51  -0.50800  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    55   0.56750  1.0 1.0
   48    51    53    55  -0.07550 -1.0 2.0
   48    51    53    55   0.20000  1.0 3.0
   48    51    53    58   0.56750  1.0 1.0
   48    51    53    58  -0.07550 -1.0 2.0
   48    51    53    58   0.20000  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   50    48    51    33   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   51    33   -37    40   0.09850  1.0 1.0
   51    33   -37    40   0.15250 -1.0 2.0
   51    33   -37    40  -0.50650  1.0 3.0
   51    33    37    44   0.46850  1.0 1.0
   51    33    37    44   0.08550 -1.0 2.0
   51    33    37    44   0.09800  1.0 3.0
   51    33    38    65   0.56750  1.0 1.0
   51    33    38    65  -0.07550 -1.0 2.0
   51    33    38    65   0.20000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    57   0.15000  1.0 3.0
   51    53    55    62   0.56750  1.0 1.0
   51    53    55    62  -0.07550 -1.0 2.0
   51    53    55    62   0.20000  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53    58    61   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   53    55    62    63   0.15000  1.0 3.0
   53    55    62    64   0.15000  1.0 3.0
   53    55    62    65   0.56750  1.0 1.0
   53    55    62    65  -0.07550 -1.0 2.0
   53    55    62    65   0.20000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    62   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   55    62    65    66   0.15000  1.0 3.0
   55    62    65    38   0.56750  1.0 1.0
   55    62    65    38  -0.07550 -1.0 2.0
   55    62    65    38   0.20000  1.0 3.0
   55    62    65    67   0.34400  1.0 1.0
   55    62    65    67   0.09450 -1.0 2.0
   55    62    65    67   0.11100  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    65   0.15000  1.0 3.0
   62    65    38    33   0.56750  1.0 1.0
   62    65    38    33  -0.07550 -1.0 2.0
   62    65    38    33   0.20000  1.0 3.0
   62    65    38    39   0.15000  1.0 3.0
   62    65    38    42   0.86500  1.0 1.0
   62    65    38    42  -0.17500 -1.0 2.0
   62    65    38    42   0.20800  1.0 3.0
   62    65    67    68   0.09850  1.0 1.0
   62    65    67    68   0.15250 -1.0 2.0
   62    65    67    68  -0.50650  1.0 3.0
   62    65    67    71   0.46850  1.0 1.0
   62    65    67    71   0.08550 -1.0 2.0
   62    65    67    71   0.09800  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    38   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    38   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   65    38    42    43  -0.11600  1.0 1.0
   65    38    42    43  -0.09450 -1.0 2.0
   65    38    42    43   0.21250  1.0 3.0
   65    67    68    69   7.00000 -1.0 2.0
   65    67    68    70   7.00000 -1.0 2.0
   65    67    71    72   0.34800  1.0 3.0
   65    67    71    73   0.34800  1.0 3.0
   65    67    71    74   0.34800  1.0 3.0
   66    65    38    33   0.15000  1.0 3.0
   66    65    38    39   0.15000  1.0 3.0
   66    65    38    42   0.23400  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    71   0.34800  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.56750  1.0 1.0
   38    33    51    53  -0.07550 -1.0 2.0
   38    33    51    53   0.20000  1.0 3.0
   38    65    67    68   0.09850  1.0 1.0
   38    65    67    68   0.15250 -1.0 2.0
   38    65    67    68  -0.50650  1.0 3.0
   38    65    67    71   0.46850  1.0 1.0
   38    65    67    71   0.08550 -1.0 2.0
   38    65    67    71   0.09800  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   67    65    38    33   0.34400  1.0 1.0
   67    65    38    33   0.09450 -1.0 2.0
   67    65    38    33   0.11100  1.0 3.0
   67    65    38    39   0.15000  1.0 3.0
   67    65    38    42   1.05650  1.0 1.0
   67    65    38    42   0.15600 -1.0 2.0
   67    65    38    42   0.53150  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   71    67    68    69   7.00000 -1.0 2.0
   71    67    68    70   7.00000 -1.0 2.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53    55    62   0.56750  1.0 1.0
   58    53    55    62  -0.07550 -1.0 2.0
   58    53    55    62   0.20000  1.0 3.0
   44    37    40    41   7.00000 -1.0 2.0
   44    37    40    48   7.00000 -1.0 2.0
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
   33    44    37    40   1.10000 -1.0 2.0
   48    41    40    37   1.10000 -1.0 2.0
   65    71    67    68  15.00000 -1.0 2.0
   69    70    68    67  15.00000 -1.0 2.0
END
