* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    134    206     396
    1     0 S   NP   _N1_     1    29.37741    91.59655   -22.02542
    2     1 S   H    _HN1     2     1.02772   102.29637   -68.67354
    3     1 S   H    _H1_     3     1.02968    99.18654    42.51257
    4     1 S   H    _H2_     4     1.02828    12.38364   172.77814
    5     1 S   CT   _CA1     5     1.50151   123.01497   164.15161
    6     5 S   HC   _HA1     6     1.09581   105.19581    61.12460
    7     5 S   CO3  _C1_     7     1.53780   112.44253   -58.89756
    8     7 S   O2Z  _O11     8     1.26348   115.01880   -41.63223
    9     7 S   O2Z  _O12     9     1.26254   114.91736   137.44722
   10     5 S   CT   _CB1    10     1.53079   107.35344   178.89412
   11    10 S   HC   HB11    11     1.09819   109.14588   -51.66107
   12    10 S   HC   HB12    12     1.09822   110.42952    64.77533
   13    10 S   CT   _CG1    13     1.53019   112.81676  -172.92127
   14    13 S   HC   HG11    14     1.09595   110.26418   -64.99926
   15    13 S   HC   HG12    15     1.09638   110.16430    54.25208
   16    13 S   C    _CD1    16     1.51784   112.22559   174.33431
   17    16 S   O    _OE1    17     1.22757   123.19583    -9.29287
   18    16 S   N    _N2_    18     1.38698   111.79081   171.41970
   19    18 S   H    _HN2    19     1.01589   119.15649     0.62807
   20    18 S   CT1  _CA2    20     1.46065   123.10495  -178.90890
   21    20 S   HC   _HA2    21     1.09564   109.08276   -12.96240
   22    20 S   C    _C2_    22     1.53412   108.85204  -128.00678
   23    22 S   O    _O2_    23     1.23028   122.12021  -148.10132
   24    20 S   CT   _CB2    32     1.53533   111.97374   109.35653
   25    24 S   HC   HB21    33     1.09659   109.48250    64.71768
   26    24 S   HC   HB22    34     1.09577   110.78744  -178.10122
   27    22 S   N    _N3_    24     1.38480   113.44060    39.54463
   28    27 S   H    _HN3    25     1.01520   118.91578    -0.81157
   29    24 S   S    _SG2    35     1.82866   114.99244   -54.93380
   30    27 S   CT   _CA3    26     1.45437   123.38622   174.51070
   31    30 S   HC   HA31    27     1.09529   109.11517    26.49443
   32    30 S   HC   HA32    28     1.09489   107.14741   143.53561
   33    29 S   CT   _C18    36     1.82644   100.05091   -68.03142
   34    33 S   HC   _H3_    37     1.09352   106.73370   -66.82857
   35    33 S   HC   _H4_    38     1.09206   109.35758    50.35757
   36    30 S   CO3  _C3_    29     1.52959   113.24500   -96.85130
   37    36 S   O2Z  _O31    30     1.26395   115.51085   -40.94442
   38    36 S   O2Z  _O32    31     1.26369   114.90364   139.97889
   39    33 S   CT   _C13    39     1.53210   111.18409   172.34170
   40    39 S   HC   _H28    40     1.09639   111.59122    50.01208
   41    39 S   CO4  _C6_    41     1.51735   111.42958   -72.95173
   42    41 S   O    _O16    42     1.22126   125.98986    78.21385
   43    41 S   OS   _O18    43     1.37013   110.04496  -101.50620
   44    43 S   CT   _C15    44     1.43531   109.23925     3.97533
   45    44 S   HC   _H30    45     1.09611   106.81634    91.41230
   46    44 S   CT   _C11    46     1.52246   109.75027  -149.11981
   47    46 S   HC   _H25    47     1.09873   109.61896    61.30429
   48    46 S   HC   _H26    48     1.09886   108.12917   -52.12536
   49    39 S   CT   _C14    57     1.53483   115.11734   174.35521
   50    49 S   HC   _H29    58     1.10177   106.33929  -162.07490
   51    46 S   CT   _C12    49     1.54014   115.61721  -174.15196
   52    51 S   HC   _H27    50     1.10085   104.07202   174.33856
   53    51 S   CM   _C5_    51     1.52313   115.29433   -68.10026
   54    51 S   CT   _C17    69     1.53405   112.42273    60.34417
   55    54 S   HC   _H34    70     1.09439   112.37161   -70.10471
   56    54 S   HC   _H35    71     1.09596   110.75608   169.79942
   57    54 S   HC   _H36    72     1.09533   110.67776    50.69421
   58    53 S   CM   _C4_    52     1.34826   126.00480    51.31006
   59    58 S   HC   _H20    53     1.09036   118.34928   176.04487
   60    53 S   CM   _C7_    59     1.46198   113.78082  -132.10678
   61    60 S   HC   _H21    60     1.08821   115.21481   -45.50749
   62    58 S   CT   _C10    54     1.50206   128.32958    -3.06912
   63    62 S   HC   _H23    55     1.09607   109.08272    75.44655
   64    62 S   HC   _H24    56     1.09783   107.20669  -169.85130
   65    60 S   CM   _C8_    61     1.34092   124.44873   132.43160
   66    65 S   HC   _H22    62     1.08443   121.98967     0.54823
   67    65 S   CO4  _C9_    63     1.48940   120.39584  -179.03146
   68    67 S   O    _O17    64     1.22886   122.10649    -2.41362
   69    67 S   CT   _C16    65     1.50592   116.71603   178.89784
   70    69 S   HC   _H31    66     1.09282   109.31774   100.21480
   71    69 S   HC   _H32    67     1.09372   109.14092  -139.51659
   72    69 S   HC   _H33    68     1.09339   111.25786   -20.67747
  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
  11   5   4   2   1   1  13   7   8   3   9  14   7  14   6   5
   8   4  12   7  14   5   2   1   1   7   4   7   3   2   1   1
   7   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    62    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    58    62    63    64    49    50  
   41    42    43    44    62    49    50  
   42    43    44    45    46    62    49    50  
   43    44    49  
   44    45    46    47    48    51    62    49    50  
   45    46    47    48    51    52    53    58    62    63    64    49    50    54  
   46    47    48    51    62    49    50  
   47    48    51    52    53    58    62    49    50    60    54    55    56    57  
   48    51    52    53    49    54  
   51    52    53    49    54  
   50    51    53    58    59    62    63    64  
   58    62    63    64  
   52    53    58    59    62    60    61    65    54    55    56    57  
   53    58    60    54    55    56    57  
   58    59    62    63    64    60    61    65    66    67    54    55    56    57  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    60    61    65  
   62    63    64    60  
   61    65    66    67    68    69    62  
   65    66    67  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   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    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   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    58   549.000  1.340
   53    60   380.000  1.444
   58    59   340.000  1.080
   58    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    49   268.000  1.529
   49    50   340.000  1.090
   60    61   340.000  1.080
   60    65   549.000  1.340
   65    66   340.000  1.080
   65    67   320.000  1.462
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    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    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    62    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    62    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    70.00000  112.02700
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    58    70.00000  124.00000
   51    53    60    70.00000  124.00000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    62    70.00000  124.00000
   53    60    61    35.00000  120.00000
   53    60    65    70.00000  123.01800
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    49    70.00000  112.02700
   62    58    59    35.00000  117.00000
   62    49    50    37.50000  110.70000
   64    62    63    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    62    63    37.50000  110.70000
   49    62    64    37.50000  110.70000
   60    53    58    70.00000  123.01800
   60    65    66    35.00000  120.00000
   60    65    67    65.00000  118.96000
   65    60    61    35.00000  120.00000
   65    67    68    80.00000  123.72100
   65    67    69    65.00000  118.62400
   67    65    66    40.00000  117.72500
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    35.00000  109.50000
   69    67    68    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    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   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    62   0.56750  1.0 1.0
   33    39    49    62  -0.07550 -1.0 2.0
   33    39    49    62   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    62   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    62  -0.95700  1.0 1.0
   41    39    49    62  -0.18200 -1.0 2.0
   41    39    49    62   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    62   0.62750  1.0 1.0
   43    44    49    62  -0.30950 -1.0 2.0
   43    44    49    62   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.34400  1.0 1.0
   44    46    51    53   0.09450 -1.0 2.0
   44    46    51    53   0.11100  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    62   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    62   0.56750  1.0 1.0
   46    44    49    62  -0.07550 -1.0 2.0
   46    44    49    62   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    58   0.09850  1.0 1.0
   46    51    53    58   0.15250 -1.0 2.0
   46    51    53    58  -0.50650  1.0 3.0
   46    51    53    60   0.98200  1.0 1.0
   46    51    53    60  -0.11900 -1.0 2.0
   46    51    53    60   0.24250  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    53    58    59   7.00000 -1.0 2.0
   51    53    58    62   7.00000 -1.0 2.0
   51    53    60    61   0.00000  1.0 1.0
   51    53    60    65  -0.18600  1.0 3.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    53    60   0.00000  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   53    58    62    63   0.00000  1.0 1.0
   53    58    62    64   0.00000  1.0 1.0
   53    58    62    49   0.09850  1.0 1.0
   53    58    62    49   0.15250 -1.0 2.0
   53    58    62    49  -0.50650  1.0 3.0
   53    60    65    66   7.00000 -1.0 2.0
   53    60    65    67   7.00000 -1.0 2.0
   58    53    60    61  -0.18600  1.0 3.0
   58    53    60    65   0.28850  1.0 1.0
   58    53    60    65   2.61350 -1.0 2.0
   58    53    60    65   0.78400  1.0 3.0
   58    62    49    39   0.34400  1.0 1.0
   58    62    49    39   0.09450 -1.0 2.0
   58    62    49    39   0.11100  1.0 3.0
   58    62    49    44   0.34400  1.0 1.0
   58    62    49    44   0.09450 -1.0 2.0
   58    62    49    44   0.11100  1.0 3.0
   58    62    49    50   0.15000  1.0 3.0
   59    58    62    63   0.33100  1.0 3.0
   59    58    62    64   0.33100  1.0 3.0
   59    58    62    49   0.00000  1.0 1.0
   63    62    49    39   0.15000  1.0 3.0
   63    62    49    44   0.15000  1.0 3.0
   63    62    49    50   0.15000  1.0 3.0
   64    62    49    39   0.15000  1.0 3.0
   64    62    49    44   0.15000  1.0 3.0
   64    62    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   60    53    58    59   7.00000 -1.0 2.0
   60    53    58    62   7.00000 -1.0 2.0
   60    65    67    68   1.00000 -1.0 2.0
   60    65    67    69  -0.33500  1.0 1.0
   60    65    67    69   1.06600 -1.0 2.0
   60    65    67    69  -0.14000  1.0 3.0
   61    60    65    66   7.00000 -1.0 2.0
   61    60    65    67   7.00000 -1.0 2.0
   65    67    69    70   0.00000  1.0 1.0
   65    67    69    71   0.00000  1.0 1.0
   65    67    69    72   0.00000  1.0 1.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.04550  1.0 1.0
   66    65    67    69   0.83000 -1.0 2.0
   66    65    67    69  -0.04000  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.00000  1.0 1.0
   54    51    53    58   0.09850  1.0 1.0
   54    51    53    58   0.15250 -1.0 2.0
   54    51    53    58  -0.50650  1.0 3.0
   54    51    53    60   0.98200  1.0 1.0
   54    51    53    60  -0.11900 -1.0 2.0
   54    51    53    60   0.24250  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    43    41    42  10.50000 -1.0 2.0
   51    60    53    58   1.10000 -1.0 2.0
   62    59    58    53   1.10000 -1.0 2.0
   53    61    60    65  15.00000 -1.0 2.0
   67    66    65    60  15.00000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
END
