* LIGAND DATABASE FILE (OPLS2005)
*
001      75    79    147    236     428
    1     0 S   NP   _N1_     1    28.71291    95.71950   -23.48053
    2     1 S   H    _HN1     2     1.02952    76.71245    17.32589
    3     1 S   H    _H1_     3     1.02830    33.91886   170.45589
    4     1 S   H    _H2_     4     1.02783   104.24668   -88.56869
    5     1 S   CT   _CA1     5     1.50114   137.34696   123.12008
    6     5 S   HC   _HA1     6     1.09574   105.20854    85.23296
    7     5 S   CO3  _C1_     7     1.53797   112.42450   -35.00321
    8     7 S   O2Z  _O11     8     1.26371   115.00742   -43.17683
    9     7 S   O2Z  _O12     9     1.26241   114.94609   135.96301
   10     5 S   CT   _CB1    10     1.53088   107.42337  -156.79970
   11    10 S   HC   HB11    11     1.09830   109.38523   -49.92987
   12    10 S   HC   HB12    12     1.09815   110.43827    66.67604
   13    10 S   CT   _CG1    13     1.52984   112.60080  -170.93152
   14    13 S   HC   HG11    14     1.09588   110.57097   -64.81767
   15    13 S   HC   HG12    15     1.09668   109.84545    54.40724
   16    13 S   C    _CD1    16     1.51803   112.29151   174.83939
   17    16 S   O    _OE1    17     1.22729   123.31269     4.13706
   18    16 S   N    _N2_    18     1.38653   111.62341  -175.92696
   19    18 S   H    _HN2    19     1.01585   118.95461     1.72101
   20    18 S   CT1  _CA2    20     1.46180   123.38348   178.25897
   21    20 S   HC   _HA2    21     1.09739   109.36067    -0.11703
   22    20 S   C    _C2_    22     1.53496   108.65824  -115.61650
   23    22 S   O    _O2_    23     1.23057   122.27266  -148.48316
   24    20 S   CT   _CB2    32     1.53351   111.55316   121.86207
   25    24 S   HC   HB21    33     1.09481   109.96071    56.58786
   26    24 S   HC   HB22    34     1.09516   110.10843   175.60787
   27    22 S   N    _N3_    24     1.38330   113.67768    39.00763
   28    27 S   H    _HN3    25     1.01604   119.56909    -3.51129
   29    24 S   S    _SG2    35     1.82764   111.39899   -64.75944
   30    27 S   CT   _CA3    26     1.45291   123.17359   177.04190
   31    30 S   HC   HA31    27     1.09552   107.52049   -64.10032
   32    30 S   HC   HA32    28     1.09559   107.96115    52.32117
   33    29 S   CT   _C20    36     1.84311    99.95303  -178.55166
   34    33 S   HC   _H4_    37     1.09904   106.46204    34.47081
   35    30 S   CO3  _C3_    29     1.52951   114.11113   174.30753
   36    35 S   O2Z  _O31    30     1.26373   116.06634    -0.76208
   37    35 S   O2Z  _O32    31     1.26430   114.41070   179.29835
   38    33 S   CT   _C19    38     1.53299   108.12461   -80.70207
   39    38 S   HC   _H17    39     1.09628   110.23688    60.29467
   40    38 S   HC   _H18    40     1.09486   112.27559   -59.94078
   41    38 S   CO4  _C18    41     1.51092   111.57989   178.55274
   42    41 S   O    _O33    42     1.22982   121.67495  -152.08840
   43    41 S   CM   _C17    43     1.47811   118.71436    31.11373
   44    43 S   HC   _H16    44     1.08371   117.82819   174.44889
   45    43 S   CM   _C16    45     1.33750   120.52319    -3.08477
   46    45 S   HC   _H15    46     1.08898   117.06503   176.45514
   47    33 S   CT   _C15    47     1.56562   115.41502   152.54983
   48    47 S   CA   _C11    48     1.51326   115.97621    44.36775
   49    47 S   CT   _C14    69     1.58275   111.81949   -69.09320
   50    49 S   HC   _H13    70     1.09649   112.48716   -27.89529
   51    49 S   HC   _H14    71     1.10063   110.45404  -146.21293
   52    48 S   CR3  _C12    49     1.39811   110.92107  -106.72866
   53    52 S   CA   _C7_    50     1.39601   123.73639  -173.55117
   54    53 S   CA   _C8_    51     1.39602   118.09217    -3.37591
   55    54 S   HA   _H12    52     1.08459   121.26852   179.18771
   56    53 S   CT   _C6_    60     1.50441   118.26516   170.75607
   57    56 S   HC   _H10    61     1.09602   109.81370   134.13732
   58    56 S   HC   _H11    62     1.09749   107.58081  -108.68074
   59    54 S   CA   _C9_    53     1.39031   117.89610     0.89329
   60    56 S   CT   _C5_    63     1.54881   113.78089    11.47547
   61    60 S   HC   _H8_    64     1.09917   108.95542    83.62895
   62    60 S   HC   _H9_    65     1.09721   107.84323  -160.88790
   63    48 S   CA   _C10    54     1.37168   132.08062    76.79690
   64    60 S   NT   _N4_    66     1.48327   113.00421   -38.90816
   65    63 S   OS   _O34    55     1.35757   127.39390    -3.16997
   66    52 S   CT   _C13    67     1.49719   112.68124     6.05035
   67    66 S   HC   _H3_    68     1.09690   108.76067    91.82836
   68    64 S   CT   _C4_    72     1.46267   110.32330  -175.42881
   69    68 S   HC   _H5_    73     1.09515   110.85243   177.47214
   70    68 S   HC   _H6_    74     1.09572   110.41505    59.80551
   71    68 S   HC   _H7_    75     1.09602   112.28803   -61.12477
   72    65 S   CO   _C21    56     1.44098   101.22439   179.74436
   73    72 S   HC   _H19    57     1.09596   108.62819  -122.54295
   74    72 S   HC   _H20    58     1.09615   108.69146   119.35171
   75    59 S   OS   _O35    59     1.36361   124.98581   179.07022
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  10   5   4   6   3   6   3   9   3  12  15
  10   5   4  14  14  11   4   9   5   4   6   9   4   3   6   6
   4   5   1   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    52    63    66    49    50    51  
   38    39    40    41    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    49  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47  
   43    44    45  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    52    63    66    49    50    51  
   47    48    49  
   48    52    53    59    63    65    64    66    67    49    50    51  
   52    53    54    59    63    65    72    75    56    64    66    67    49    50    51  
   50    51    68    52    53    60    63    64    66    67  
   51    52    64    66    67  
   52    64    66    67  
   53    54    55    59    63    65    56    57    58    60    64    66    67    68  
   54    55    59    63    75    56    57    58    60    61    62    64    66    67  
   55    59    63    65    72    75    56    57    58    60    66  
   59    63    75    56  
   57    58    60    61    62    64    66    68    59  
   58    60    61    62    64  
   60    61    62    64  
   63    65    72    73    74    75  
   61    62    64    66    67    68    69    70    71  
   62    64    66    68  
   64    66    68  
   65    72    73    74    75    66  
   66    67    68    69    70    71  
   72    73    74    75  
   67    68    69    70    71  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   317.000  1.510
   47    49   268.000  1.529
   48    52   490.000  1.398
   48    63   469.000  1.400
   52    53   490.000  1.398
   52    66   317.000  1.510
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    63   469.000  1.400
   59    75   450.000  1.364
   63    65   450.000  1.364
   65    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.380
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   382.000  1.448
   64    66   382.000  1.448
   64    68   382.000  1.448
   66    67   340.000  1.090
   66    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    45    70.00000  112.02700
   33    47    48    70.00000  112.17500
   33    47    49    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    35.00000  120.00000
   43    45    47    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    47    48    70.00000  112.99600
   45    47    49    70.00000  112.02700
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    45    46    35.00000  117.00000
   47    48    52    80.00000  105.07000
   47    48    63    70.00000  120.00000
   47    49    66    58.35000  112.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   48    52    53    60.00000  130.80000
   48    52    66    70.00000  120.00000
   48    63    59    63.00000  120.00000
   48    63    65    70.00000  120.00000
   52    53    54    70.00000  112.88000
   52    53    56    80.00000  105.07000
   52    66    64    75.00000  112.33000
   52    66    67    35.00000  109.50000
   52    66    49    70.00000  112.17500
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    60    70.00000  112.17500
   54    59    63    63.00000  120.00000
   54    59    75    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    65    70.00000  120.00000
   59    75    72   100.00000  112.36700
   63    48    52    70.00000  112.88000
   63    65    72   100.00000  112.36700
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    92.60000  111.55000
   74    72    73    33.00000  109.50000
   75    59    63    70.00000  120.00000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   56    53    54    70.00000  120.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    64    56.20000  109.47000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    66    51.80000  107.20000
   60    64    68    51.80000  107.20000
   62    60    61    33.00000  107.80000
   64    60    61    35.00000  109.50000
   64    60    62    35.00000  109.50000
   64    66    67    35.00000  109.50000
   64    66    49    56.20000  109.47000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   66    52    53    70.00000  120.00000
   66    49    50    37.50000  110.70000
   66    49    51    37.50000  110.70000
   49    47    48    70.00000  112.17500
   49    66    67    37.50000  110.70000
   51    49    50    33.00000  107.80000
   68    64    66    51.80000  107.20000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    47    48    52   0.04150 -1.0 2.0
   33    47    48    63   0.04150 -1.0 2.0
   33    47    49    66   0.56750  1.0 1.0
   33    47    49    66  -0.07550 -1.0 2.0
   33    47    49    66   0.20000  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.43200  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48  -0.03700  1.0 1.0
   38    33    47    48   0.37200 -1.0 2.0
   38    33    47    48  -0.47300  1.0 3.0
   38    33    47    49   0.56750  1.0 1.0
   38    33    47    49  -0.07550 -1.0 2.0
   38    33    47    49   0.20000  1.0 3.0
   38    41    43    44   0.04550  1.0 1.0
   38    41    43    44   0.83000 -1.0 2.0
   38    41    43    44  -0.04000  1.0 3.0
   38    41   -43    45  -0.33500  1.0 1.0
   38    41   -43    45   1.06600 -1.0 2.0
   38    41   -43    45  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   7.00000 -1.0 2.0
   41    43    45    47   7.00000 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   1.00000 -1.0 2.0
   43    45   -47    33   0.09850  1.0 1.0
   43    45   -47    33   0.15250 -1.0 2.0
   43    45   -47    33  -0.50650  1.0 3.0
   43    45    47    48   1.44450  1.0 1.0
   43    45    47    48   0.06600 -1.0 2.0
   43    45    47    48   0.29250  1.0 3.0
   43    45    47    49   0.09850  1.0 1.0
   43    45    47    49   0.15250 -1.0 2.0
   43    45    47    49  -0.50650  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    47    48    52   0.18050 -1.0 2.0
   45    47    48    63   0.18050 -1.0 2.0
   45    47    49    66   0.34400  1.0 1.0
   45    47    49    66   0.09450 -1.0 2.0
   45    47    49    66   0.11100  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    48    52    53   3.62500 -1.0 2.0
   47    48   -52    66   3.62500 -1.0 2.0
   47    48    63    59   3.62500 -1.0 2.0
   47    48    63    65   3.62500 -1.0 2.0
   48    47   -49    66  -0.03700  1.0 1.0
   48    47   -49    66   0.37200 -1.0 2.0
   48    47   -49    66  -0.47300  1.0 3.0
   48    47    49    50   0.43200  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    56   3.62500 -1.0 2.0
   48    52    66    64   0.18550 -1.0 2.0
   48    52    66    64   0.14000  1.0 3.0
   48    52    66    67   0.00000  1.0 1.0
   48    52   -66    49   0.04150 -1.0 2.0
   48    63    65    72   1.63200 -1.0 2.0
   52    48    63    59   3.62500 -1.0 2.0
   52    48    63    65   3.62500 -1.0 2.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53   -54    59   3.62500 -1.0 2.0
   52    53    56    57   0.00000  1.0 1.0
   52    53    56    58   0.00000  1.0 1.0
   52    53    56    60   0.04150 -1.0 2.0
   52    66   -49    47  -0.03700  1.0 1.0
   52    66   -49    47   0.37200 -1.0 2.0
   52    66   -49    47  -0.47300  1.0 3.0
   52    66    49    50   0.43200  1.0 3.0
   52    66    49    51   0.43200  1.0 3.0
   53    52    66    64   0.18550 -1.0 2.0
   53    52    66    64   0.14000  1.0 3.0
   53    52    66    67   0.00000  1.0 1.0
   53    52    66    49   0.04150 -1.0 2.0
   53    54    59    63   3.62500 -1.0 2.0
   53    54    59    75   3.62500 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    62   0.43200  1.0 3.0
   53    56   -60    64   0.83750  1.0 1.0
   53    56   -60    64   0.32200 -1.0 2.0
   53    56   -60    64   0.70600  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    60   0.04150 -1.0 2.0
   54    59   -63    48   3.62500 -1.0 2.0
   54    59    63    65   3.62500 -1.0 2.0
   54    59    75    72   1.63200 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   55    54    59    75   3.62500 -1.0 2.0
   59    63   -65    72   1.63200 -1.0 2.0
   63    48   -52    53   3.62500 -1.0 2.0
   63    48    52    66   3.62500 -1.0 2.0
   63    59   -75    72   1.63200 -1.0 2.0
   63    65    72    73   0.08050  1.0 3.0
   63    65    72    74   0.08050  1.0 3.0
   63    65   -72    75  -0.25600  1.0 1.0
   63    65   -72    75  -0.40050 -1.0 2.0
   63    65   -72    75   0.34700  1.0 3.0
   65    72   -75    59  -0.25600  1.0 1.0
   65    72   -75    59  -0.40050 -1.0 2.0
   65    72   -75    59   0.34700  1.0 3.0
   73    72    75    59   0.08050  1.0 3.0
   74    72    75    59   0.08050  1.0 3.0
   75    59    63    48   3.62500 -1.0 2.0
   75    59   -63    65   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   56    60    64    66   0.23450  1.0 1.0
   56    60    64    66   0.02050 -1.0 2.0
   56    60    64    66   0.25250  1.0 3.0
   56    60    64    68   0.58650  1.0 1.0
   56    60    64    68   0.12600 -1.0 2.0
   56    60    64    68   0.33350  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    64   0.15000  1.0 3.0
   60    64   -66    52   0.82600  1.0 1.0
   60    64   -66    52  -0.32100 -1.0 2.0
   60    64   -66    52   1.02000  1.0 3.0
   60    64    66    67   0.28000  1.0 3.0
   60    64    66    49   0.23450  1.0 1.0
   60    64    66    49   0.02050 -1.0 2.0
   60    64    66    49   0.25250  1.0 3.0
   60    64    68    69   0.28000  1.0 3.0
   60    64    68    70   0.28000  1.0 3.0
   60    64    68    71   0.28000  1.0 3.0
   61    60    64    66   0.28000  1.0 3.0
   61    60    64    68   0.28000  1.0 3.0
   62    60    64    66   0.28000  1.0 3.0
   62    60    64    68   0.28000  1.0 3.0
   64    66    49    47   1.53400  1.0 1.0
   64    66    49    47  -0.09950 -1.0 2.0
   64    66    49    47   0.05700  1.0 3.0
   64    66    49    50   0.15000  1.0 3.0
   64    66    49    51   0.15000  1.0 3.0
   66    52    53    54   3.62500 -1.0 2.0
   66    52   -53    56   3.62500 -1.0 2.0
   66    64    68    69   0.28000  1.0 3.0
   66    64    68    70   0.28000  1.0 3.0
   66    64    68    71   0.28000  1.0 3.0
   67    66    49    47   0.15000  1.0 3.0
   67    66    49    50   0.15000  1.0 3.0
   67    66    49    51   0.15000  1.0 3.0
   49    47   -48    52   0.04150 -1.0 2.0
   49    47    48    63   0.04150 -1.0 2.0
   68    64    66    52   0.82600  1.0 1.0
   68    64    66    52  -0.32100 -1.0 2.0
   68    64    66    52   1.02000  1.0 3.0
   68    64    66    67   0.28000  1.0 3.0
   68    64    66    49   0.58650  1.0 1.0
   68    64    66    49   0.12600 -1.0 2.0
   68    64    66    49   0.33350  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   52    63    48    47   4.00000 -1.0 2.0
   53    66    52    48   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   63    75    59    54   4.00000 -1.0 2.0
   59    65    63    48   4.00000 -1.0 2.0
END
