* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     425
    1     0 S   NP   _N1_     1    29.12763    94.05925   -23.42639
    2     1 S   H    _HN1     2     1.02789   102.38978  -109.92398
    3     1 S   H    _H1_     3     1.02947    87.08792    -1.72975
    4     1 S   H    _H2_     4     1.02830    24.27110   143.96237
    5     1 S   CT   _CA1     5     1.50110   132.44548   113.55975
    6     5 S   HC   _HA1     6     1.09566   105.20575    72.03993
    7     5 S   CO3  _C1_     7     1.53825   112.52349   -48.23523
    8     7 S   O2Z  _O11     8     1.26372   115.01513   -39.97575
    9     7 S   O2Z  _O12     9     1.26231   114.97897   139.27030
   10     5 S   CT   _CB1    10     1.53081   107.43097  -169.86537
   11    10 S   HC   HB11    11     1.09833   109.52656   -48.62514
   12    10 S   HC   HB12    12     1.09802   110.34527    67.94697
   13    10 S   CT   _CG1    13     1.52996   112.60562  -169.51200
   14    13 S   HC   HG11    14     1.09575   110.67403   -63.59601
   15    13 S   HC   HG12    15     1.09654   109.80971    55.70266
   16    13 S   C    _CD1    16     1.51725   112.20065   176.38719
   17    16 S   O    _OE1    17     1.22747   123.25961     7.90607
   18    16 S   N    _N2_    18     1.38672   111.76926  -172.86540
   19    18 S   H    _HN2    19     1.01582   119.02080     3.44492
   20    18 S   CT1  _CA2    20     1.46089   123.29214   179.88986
   21    20 S   HC   _HA2    21     1.09585   109.16350     6.49504
   22    20 S   C    _C2_    22     1.53591   109.36718  -108.81895
   23    22 S   O    _O2_    23     1.23087   122.05559  -150.50084
   24    20 S   CT   _CB2    32     1.53409   111.71923   128.58537
   25    24 S   HC   HB21    33     1.09658   109.60465    65.03875
   26    24 S   HC   HB22    34     1.09574   110.81300  -177.70100
   27    22 S   N    _N3_    24     1.38252   113.94680    36.98080
   28    27 S   H    _HN3    25     1.01558   119.65425    -3.33601
   29    24 S   S    _SG2    35     1.82892   114.81572   -54.68784
   30    27 S   CT   _CA3    26     1.45293   123.23396   177.08462
   31    30 S   HC   HA31    27     1.09549   107.52727   -64.31227
   32    30 S   HC   HA32    28     1.09556   107.97682    52.13900
   33    29 S   CT   _C18    36     1.82951   100.00514   -65.38090
   34    33 S   HC   _H3_    37     1.09623   106.76556   -56.73826
   35    33 S   HC   _H4_    38     1.09347   110.33317    59.85661
   36    30 S   CO3  _C3_    29     1.52965   114.04890   174.13044
   37    36 S   O2Z  _O31    30     1.26380   116.05601    -0.37325
   38    36 S   O2Z  _O32    31     1.26423   114.42154   179.68163
   39    33 S   CT   _C15    39     1.53092   111.68754  -176.55923
   40    39 S   CO4  _C7_    40     1.50949   111.80980   179.57710
   41    40 S   O    _O17    41     1.22130   126.50186   -28.70080
   42    39 S   OH   _O19    72     1.43374   109.09165    66.33631
   43    42 S   HO   _H39    73     0.97349   107.18242   -55.15786
   44    40 S   OS   _O18    42     1.36640   109.35558   152.58520
   45    44 S   CT   _C13    43     1.44142   110.28156    -0.86615
   46    45 S   HC   _H30    44     1.09954   105.88922    92.00317
   47    39 S   CT   _C11    45     1.54206   119.97910   -61.24517
   48    47 S   HC   _H28    46     1.09773   109.57994    87.47797
   49    45 S   CT   _C14    63     1.54180   110.42866  -150.61515
   50    47 S   CT   _C8_    47     1.54369   114.78704   -34.98276
   51    50 S   HC   _H23    48     1.09228   109.13778    42.32373
   52    50 S   HC   _H24    49     1.09189   112.17439   -73.65874
   53    49 S   CT   _C17    64     1.54224   113.39676    24.35771
   54    53 S   HC   _H34    65     1.09026   112.90033    53.07943
   55    53 S   HC   _H35    66     1.09780   111.05940   -66.34755
   56    53 S   HC   _H36    67     1.09557   112.05664   175.71006
   57    50 S   CT   _C9_    50     1.53420   113.89091   158.53273
   58    57 S   HC   _H25    51     1.09727   108.17078  -163.86946
   59    57 S   HC   _H26    52     1.09861   108.03000   -50.61124
   60    57 S   CT   _C12    53     1.53832   117.91995    72.44477
   61    60 S   HC   _H29    54     1.10136   105.17933  -162.95223
   62    60 S   CT   _C10    55     1.53864   112.28803   -48.50846
   63    62 S   HC   _H27    56     1.10283   105.37664   -53.46432
   64    60 S   CT   _C16    68     1.53008   111.30838    84.86114
   65    64 S   HC   _H31    69     1.09148   112.75350   -49.91809
   66    64 S   HC   _H32    70     1.09391   111.82095  -173.30432
   67    64 S   HC   _H33    71     1.09636   109.75868    68.19644
   68    62 S   CM   _C5_    57     1.50630   115.27672  -167.05192
   69    68 S   HC   _H22    58     1.08226   122.87430    33.42205
   70    68 S   CM   _C4_    59     1.33438   113.81617  -153.13116
   71    70 S   HC   _H21    60     1.07504   128.98367  -175.02618
   72    70 S   CO4  _C6_    61     1.47364   105.20872     4.82921
   73    72 S   O    _O16    62     1.22213   122.55545  -169.56091
  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   7   5   4   3
  12   5   4   2   1   1  14  10   4   6   1   9  19   7  12   5
  17   9   5   4  10   4   3   2  11   5   4  11   7  11   5   4
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    45    47    48    50    42    43  
   35    39    40    47    42  
   39    40    47    42  
   37    38  
   38  
    0  
   40    41    44    45    46    47    48    50    51    52    57    49    42    43  
   41    44    45    46    47    48    50    49    42    43  
   44    45    47    42  
   43    44    45    47    48    50  
   47  
   45    46    47    48    50    62    72    49    53  
   46    47    48    50    51    52    57    60    62    63    68    70    72    73    49    53    54    55    56  
   47    48    50    62    72    49    53  
   48    50    51    52    57    58    59    60    62    72    49    53  
   50    51    52    57    49  
   53    54    55    56    64    50    57    60    61    62    63    68    69    70    71    72    73  
   51    52    57    58    59    60    61    62    64  
   52    57    58    59    60  
   57    58    59    60  
   54    55    56    60    62    63    68    70    72    73  
   55    56    62    72  
   56    62    72  
   62    72  
   58    59    60    61    62    63    68    64    65    66    67  
   59    60    61    62    64  
   60    61    62    64  
   61    62    63    68    69    70    72    64    65    66    67  
   62    63    68    64    65    66    67  
   63    68    69    70    71    72    73    64    65    66    67  
   68    69    70    72    64  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   317.000  1.522
   39    47   268.000  1.529
   39    42   320.000  1.410
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    68   317.000  1.510
   62    49   268.000  1.529
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   340.000  1.080
   70    72   320.000  1.462
   72    73   570.000  1.229
   72    49   317.000  1.522
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   42    43   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    63.00000  111.10000
   33    39    47    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    80.00000  120.40000
   39    40    44    81.00000  111.40000
   39    47    45    58.35000  112.70000
   39    47    48    37.50000  110.70000
   39    47    50    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    45    46    35.00000  109.50000
   44    45    47    50.00000  109.50000
   44    45    49    50.00000  109.50000
   45    47    48    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    49    62    58.35000  112.70000
   45    49    72    63.00000  111.10000
   45    49    53    58.35000  112.70000
   47    39    40    63.00000  111.10000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    57    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    64    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    68    70.00000  112.02700
   60    62    49    58.35000  112.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    68    69    35.00000  117.00000
   62    68    70    70.00000  124.00000
   62    49    72    63.00000  111.10000
   62    49    53    58.35000  112.70000
   68    62    63    35.00000  109.50000
   68    70    71    35.00000  120.00000
   68    70    72    65.00000  118.96000
   70    68    69    35.00000  120.00000
   70    72    73    80.00000  123.72100
   70    72    49    65.00000  118.62400
   72    70    71    40.00000  117.72500
   72    49    53    63.00000  111.10000
   49    45    46    37.50000  110.70000
   49    45    47    58.35000  112.70000
   49    62    63    37.50000  110.70000
   49    62    68    70.00000  112.02700
   49    72    73    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   42    39    40    90.00000  109.61100
   42    39    47    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.30150 -1.0 2.0
   33    39    40    44   0.36750  1.0 3.0
   33    39    47    45   0.56750  1.0 1.0
   33    39    47    45  -0.07550 -1.0 2.0
   33    39    47    45   0.20000  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39    47    50   0.56750  1.0 1.0
   33    39    47    50  -0.07550 -1.0 2.0
   33    39    47    50   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40  -0.11250  1.0 3.0
   34    33    39    47   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40  -0.11250  1.0 3.0
   35    33    39    47   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40   -44    45   1.63150  1.0 1.0
   39    40   -44    45   2.92000 -1.0 2.0
   39    47    50    51   0.15000  1.0 3.0
   39    47    50    52   0.15000  1.0 3.0
   39    47    50    57   0.56750  1.0 1.0
   39    47    50    57  -0.07550 -1.0 2.0
   39    47    50    57   0.20000  1.0 3.0
   40    39   -47    45  -0.95700  1.0 1.0
   40    39   -47    45  -0.18200 -1.0 2.0
   40    39   -47    45   0.29450  1.0 3.0
   40    39    47    48  -0.11250  1.0 3.0
   40    39    47    50  -0.95700  1.0 1.0
   40    39    47    50  -0.18200 -1.0 2.0
   40    39    47    50   0.29450  1.0 3.0
   40    39    42    43   0.91850  1.0 1.0
   40    39    42    43   0.57950  1.0 3.0
   40    44    45    46   0.08050  1.0 3.0
   40    44   -45    47  -0.25900  1.0 1.0
   40    44   -45    47  -0.47000 -1.0 2.0
   40    44   -45    47   0.11750  1.0 3.0
   40    44    45    49  -0.25900  1.0 1.0
   40    44    45    49  -0.47000 -1.0 2.0
   40    44    45    49   0.11750  1.0 3.0
   41    40    44    45   3.00000 -1.0 2.0
   44    45   -47    39   0.62750  1.0 1.0
   44    45   -47    39  -0.30950 -1.0 2.0
   44    45   -47    39   0.27300  1.0 3.0
   44    45    47    48   0.23400  1.0 3.0
   44    45    47    50   0.62750  1.0 1.0
   44    45    47    50  -0.30950 -1.0 2.0
   44    45    47    50   0.27300  1.0 3.0
   44    45    49    62   0.62750  1.0 1.0
   44    45    49    62  -0.30950 -1.0 2.0
   44    45    49    62   0.27300  1.0 3.0
   44    45    49    72  -0.09450  1.0 1.0
   44    45    49    72  -1.12950 -1.0 2.0
   44    45    49    72   0.54000  1.0 3.0
   44    45    49    53   0.62750  1.0 1.0
   44    45    49    53  -0.30950 -1.0 2.0
   44    45    49    53   0.27300  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   45    47    50    57   0.56750  1.0 1.0
   45    47    50    57  -0.07550 -1.0 2.0
   45    47    50    57   0.20000  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    56   0.15000  1.0 3.0
   46    45    47    39   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    49    62   0.15000  1.0 3.0
   46    45    49    72  -0.11250  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   47    39    40    41   0.30150 -1.0 2.0
   47    39   -40    44   0.36750  1.0 3.0
   47    39    42    43  -0.11600  1.0 1.0
   47    39    42    43  -0.09450 -1.0 2.0
   47    39    42    43   0.21250  1.0 3.0
   47    45    49    62   0.56750  1.0 1.0
   47    45    49    62  -0.07550 -1.0 2.0
   47    45    49    62   0.20000  1.0 3.0
   47    45    49    72  -0.95700  1.0 1.0
   47    45    49    72  -0.18200 -1.0 2.0
   47    45    49    72   0.29450  1.0 3.0
   47    45    49    53   0.56750  1.0 1.0
   47    45    49    53  -0.07550 -1.0 2.0
   47    45    49    53   0.20000  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.56750  1.0 1.0
   47    50    57    60  -0.07550 -1.0 2.0
   47    50    57    60   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    57   0.15000  1.0 3.0
   50    57    60    61   0.15000  1.0 3.0
   50    57    60    62   0.56750  1.0 1.0
   50    57    60    62  -0.07550 -1.0 2.0
   50    57    60    62   0.20000  1.0 3.0
   50    57    60    64   0.56750  1.0 1.0
   50    57    60    64  -0.07550 -1.0 2.0
   50    57    60    64   0.20000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    68   0.34400  1.0 1.0
   57    60    62    68   0.09450 -1.0 2.0
   57    60    62    68   0.11100  1.0 3.0
   57    60    62    49   0.56750  1.0 1.0
   57    60    62    49  -0.07550 -1.0 2.0
   57    60    62    49   0.20000  1.0 3.0
   57    60    64    65   0.15000  1.0 3.0
   57    60    64    66   0.15000  1.0 3.0
   57    60    64    67   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    64   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    64   0.15000  1.0 3.0
   60    62    68    69   0.00000  1.0 1.0
   60    62    68    70   0.09850  1.0 1.0
   60    62    68    70   0.15250 -1.0 2.0
   60    62    68    70  -0.50650  1.0 3.0
   60    62    49    45   0.56750  1.0 1.0
   60    62    49    45  -0.07550 -1.0 2.0
   60    62    49    45   0.20000  1.0 3.0
   60    62    49    72  -0.95700  1.0 1.0
   60    62    49    72  -0.18200 -1.0 2.0
   60    62    49    72   0.29450  1.0 3.0
   60    62    49    53   0.56750  1.0 1.0
   60    62    49    53  -0.07550 -1.0 2.0
   60    62    49    53   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    68   0.15000  1.0 3.0
   61    60    62    49   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   62    68    70    71   7.00000 -1.0 2.0
   62    68   -70    72   7.00000 -1.0 2.0
   62    49    53    54   0.15000  1.0 3.0
   62    49    53    55   0.15000  1.0 3.0
   62    49    53    56   0.15000  1.0 3.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    70   0.00000  1.0 1.0
   63    62    49    45   0.15000  1.0 3.0
   63    62    49    72  -0.11250  1.0 3.0
   63    62    49    53   0.15000  1.0 3.0
   68    62    49    45   0.34400  1.0 1.0
   68    62    49    45   0.09450 -1.0 2.0
   68    62    49    45   0.11100  1.0 3.0
   68    62   -49    72  -0.98800  1.0 1.0
   68    62   -49    72   0.48800 -1.0 2.0
   68    62   -49    72   0.76800  1.0 3.0
   68    62    49    53   0.34400  1.0 1.0
   68    62    49    53   0.09450 -1.0 2.0
   68    62    49    53   0.11100  1.0 3.0
   68    70    72    73   1.00000 -1.0 2.0
   68    70   -72    49  -0.33500  1.0 1.0
   68    70   -72    49   1.06600 -1.0 2.0
   68    70   -72    49  -0.14000  1.0 3.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    72   7.00000 -1.0 2.0
   70    72    49    45   0.65300  1.0 1.0
   70    72    49    45  -0.03850 -1.0 2.0
   70    72    49    45   0.33900  1.0 3.0
   70    72   -49    62   0.65300  1.0 1.0
   70    72   -49    62  -0.03850 -1.0 2.0
   70    72   -49    62   0.33900  1.0 3.0
   70    72    49    53   0.65300  1.0 1.0
   70    72    49    53  -0.03850 -1.0 2.0
   70    72    49    53   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    49   0.04550  1.0 1.0
   71    70    72    49   0.83000 -1.0 2.0
   71    70    72    49  -0.04000  1.0 3.0
   72    49    53    54  -0.11250  1.0 3.0
   72    49    53    55  -0.11250  1.0 3.0
   72    49    53    56  -0.11250  1.0 3.0
   73    72    49    45   0.30150 -1.0 2.0
   73    72    49    62   0.30150 -1.0 2.0
   73    72    49    53   0.30150 -1.0 2.0
   49    45    47    39   0.56750  1.0 1.0
   49    45    47    39  -0.07550 -1.0 2.0
   49    45    47    39   0.20000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    50   0.56750  1.0 1.0
   49    45    47    50  -0.07550 -1.0 2.0
   49    45    47    50   0.20000  1.0 3.0
   49    62    68    69   0.00000  1.0 1.0
   49    62   -68    70   0.09850  1.0 1.0
   49    62   -68    70   0.15250 -1.0 2.0
   49    62   -68    70  -0.50650  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    68   0.34400  1.0 1.0
   64    60    62    68   0.09450 -1.0 2.0
   64    60    62    68   0.11100  1.0 3.0
   64    60    62    49   0.56750  1.0 1.0
   64    60    62    49  -0.07550 -1.0 2.0
   64    60    62    49   0.20000  1.0 3.0
   42    39    40    41   0.30150 -1.0 2.0
   42    39    40    44   0.30750  1.0 1.0
   42    39    40    44   1.13850 -1.0 2.0
   42    39    40    44   0.38850  1.0 3.0
   42    39    47    45   0.86500  1.0 1.0
   42    39    47    45  -0.17500 -1.0 2.0
   42    39    47    45   0.20800  1.0 3.0
   42    39    47    48   0.23400  1.0 3.0
   42    39    47    50   0.86500  1.0 1.0
   42    39    47    50  -0.17500 -1.0 2.0
   42    39    47    50   0.20800  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
   38    30    36    37  10.50000 -1.0 2.0
   39    44    40    41  10.50000 -1.0 2.0
   62    69    68    70   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    49    72    73  10.50000 -1.0 2.0
END
