* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    155    240     444
    1     0 S   NP   _N1_     1    28.65707    95.47478   -21.72984
    2     1 S   H    _HN1     2     1.02791    93.89910   -83.90875
    3     1 S   H    _H1_     3     1.02952    81.95445    24.03981
    4     1 S   H    _H2_     4     1.02837    34.98154   160.12213
    5     1 S   CT   _CA1     5     1.50097   144.26478   138.15522
    6     5 S   HC   _HA1     6     1.09582   105.20943    72.50933
    7     5 S   CO3  _C1_     7     1.53739   112.32985   -47.62024
    8     7 S   O2Z  _O11     8     1.26352   115.05928   -47.15467
    9     7 S   O2Z  _O12     9     1.26254   114.92917   132.09323
   10     5 S   CT   _CB1    10     1.53109   107.41439  -169.72345
   11    10 S   HC   HB11    11     1.09824   109.21910   -51.46702
   12    10 S   HC   HB12    12     1.09815   110.52969    65.08382
   13    10 S   CT   _CG1    13     1.52979   112.63204  -172.56716
   14    13 S   HC   HG11    14     1.09551   110.43147   -65.77617
   15    13 S   HC   HG12    15     1.09665   109.95163    53.41308
   16    13 S   C    _CD1    16     1.51819   112.38350   173.70319
   17    16 S   O    _OE1    17     1.22721   123.29513    -0.35388
   18    16 S   N    _N2_    18     1.38598   111.57162   179.96044
   19    18 S   H    _HN2    19     1.01593   119.01480     0.52002
   20    18 S   CT1  _CA2    20     1.46293   123.53068   178.06386
   21    20 S   HC   _HA2    21     1.09737   109.35793    -6.28141
   22    20 S   C    _C2_    22     1.53483   108.54082  -121.65399
   23    22 S   O    _O2_    23     1.23033   122.38764  -150.08477
   24    20 S   CT   _CB2    32     1.53299   111.27624   115.86920
   25    24 S   HC   HB21    33     1.09504   109.56935    53.52549
   26    24 S   HC   HB22    34     1.09495   110.74992   172.60668
   27    22 S   N    _N3_    24     1.38378   113.56415    37.58587
   28    27 S   H    _HN3    25     1.01620   119.47322    -3.66415
   29    24 S   S    _SG2    35     1.82834   111.15138   -67.91299
   30    27 S   CT   _CA3    26     1.45274   123.16336   177.00161
   31    30 S   HC   HA31    27     1.09551   107.53562   -63.88901
   32    30 S   HC   HA32    28     1.09559   107.94873    52.53213
   33    29 S   CT   _C22    36     1.82160    99.59935   169.87816
   34    33 S   HC   _H3_    37     1.09500   107.17680    52.47086
   35    33 S   HC   _H4_    38     1.09176   109.00310   165.81607
   36    30 S   CO3  _C3_    29     1.52937   114.10820   174.51559
   37    36 S   O2Z  _O31    30     1.26370   116.05819    -0.41825
   38    36 S   O2Z  _O32    31     1.26428   114.41317   179.63256
   39    33 S   CM   _C6_    39     1.50578   112.54025   -71.81253
   40    39 S   CMA  _C7_    40     1.35294   124.37126   124.24918
   41    40 S   OM   _O20    41     1.26343   127.97469     4.30366
   42    40 S   OS   _O23    42     1.41291   110.22358  -172.68970
   43    42 S   CT   _C16    43     1.43499   106.85710   -15.54053
   44    43 S   HC   _H37    44     1.09607   106.08959   -95.39455
   45    39 S   CT   _C15    45     1.50924   123.65303   -48.90015
   46    45 S   HC   _H36    46     1.09835   106.49402    72.47805
   47    43 S   C3T  _C17    61     1.49752   108.06341   144.73315
   48    47 S   HC   _H38    62     1.08258   112.52788   -78.44482
   49    45 S   CT   _C18    47     1.56853   120.77483   -51.77226
   50    49 S   HC   _H39    48     1.09660   108.84014   -99.66681
   51    75 S   O3T  _O25    63     1.43661   116.15139  -143.20087
   52    49 S   CT   _C12    49     1.55483   112.85547   138.86535
   53    52 S   HC   _H31    50     1.09791   109.48702   -48.18532
   54    52 S   HC   _H32    51     1.09782   109.90512  -162.59138
   55    49 S   OS   _O26    71     1.44728   111.63020    20.68078
   56    52 S   CM   _C5_    52     1.48095   113.08222    75.71640
   57    55 S   CO4  _C11    72     1.36147   117.46799  -142.97754
   58    57 S   O    _O22    73     1.22266   126.37410     4.54627
   59    56 S   CM   _C4_    53     1.33005   129.43189   -98.62340
   60    59 S   HC   _H28    54     1.08051   124.72104    -2.82008
   61    57 S   CM   _C10    74     1.48693   109.72817  -174.56678
   62    59 S   CT   _C14    55     1.47939   110.69827   166.68157
   63    62 S   HC   _H35    56     1.09462   111.34274   128.42039
   64    61 S   CM   _C9_    75     1.34121   117.14840  -158.03483
   65    64 S   HC   _H29    76     1.08544   120.94631  -178.62627
   66    64 S   HC   _H30    77     1.08549   122.32723     1.76070
   67    61 S   CT   _C20    78     1.49606   120.05374    24.82065
   68    67 S   HC   _H40    79     1.09300   110.72028   -75.30618
   69    67 S   HC   _H41    80     1.09506   110.73828    45.46600
   70    67 S   HC   _H42    81     1.09548   111.68479   164.87378
   71    62 S   CT   _C13    57     1.54478   112.71137  -106.31879
   72    71 S   HC   _H33    58     1.09657   109.30588   172.32361
   73    71 S   HC   _H34    59     1.09771   108.89356   -71.25545
   74    62 S   OS   _O24    68     1.43408   103.45651    12.34172
   75    71 S   C3T  _C19    60     1.51985   113.16120    50.93324
   76    56 S   CO4  _C8_    69     1.46874   124.10950    78.62400
   77    76 S   O    _O21    70     1.21850   125.69416     6.91302
   78    75 S   CT   _C21    64     1.50289   117.56961    81.87591
   79    78 S   HC   _H43    65     1.09589   111.65237   147.85582
   80    78 S   HC   _H44    66     1.09468   111.08731    28.41409
   81    78 S   HC   _H45    67     1.09232   111.23503   -92.20202
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5  12   4
  11   6   9  11   5   4   6   8   9   3  10   5   7   9   6   6
   2   1   3   2   1   1   9   4   3   3   4   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    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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    52    47    55  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    75    47    48    51  
   44    45    46    49    50    52    71    75    47    48    51    78    55  
   45    46    49    75    47    48    51  
   46    49    50    52    53    54    56    75    47    48    51    55    57  
   49    50    52    47    55  
   48    51    78    79    80    81    49    62    71    72    73    75  
   51    78    71    75  
   50    52    53    54    56    59    76    55    57    58    61  
   52    53    54    56    55    57  
   78    79    80    81    62    71    72    73    75  
   53    54    56    59    60    62    74    76    77    55    57  
   54    56    59    76    55  
   56    59    76    55  
   57    58    61    64    67    56  
   59    60    62    63    71    74    76    77  
   58    61    64    65    66    67    68    69    70  
   61    64    67  
   60    62    63    71    72    73    75    74    76    77  
   62    63    71    74    76  
   64    65    66    67    68    69    70  
   63    71    72    73    75    78    74    76    77  
   71    72    73    75    74    76  
   65    66    67    68    69    70  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    75    78    79    80    81    74    76  
   73    75    78    74  
   75    78    74  
   76    77    75  
   78    79    80    81  
   77  
    0  
   79    80    81  
   80    81  
   81  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.099700   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   275.000  1.510
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.510
   56    59   549.000  1.340
   56    76   320.000  1.462
   59    60   340.000  1.080
   59    62   317.000  1.510
   62    63   340.000  1.090
   62    71   268.000  1.529
   62    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   275.000  1.510
   75    47   260.000  1.509
   75    51   335.000  1.432
   75    78   275.000  1.510
   47    48   340.000  1.088
   47    51   335.000  1.432
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   74    76   214.000  1.327
   76    77   570.000  1.229
   55    57   214.000  1.327
   57    58   570.000  1.229
   57    61   320.000  1.462
   61    64   549.000  1.340
   61    67   317.000  1.510
   64    65   340.000  1.080
   64    66   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    75    60.00000  120.94000
   43    47    48    40.00000  115.04500
   43    47    51    80.00000  116.47100
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    58.35000  112.70000
   45    49    55    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    56    70.00000  112.02700
   49    55    57    83.00000  116.90000
   52    49    50    37.50000  110.70000
   52    56    59    70.00000  124.00000
   52    56    76    65.00000  116.34900
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    59    60    35.00000  120.00000
   56    59    62    70.00000  124.00000
   56    76    74    90.00000  111.29400
   56    76    77    80.00000  123.72100
   59    62    63    35.00000  109.50000
   59    62    71    70.00000  112.02700
   59    62    74    85.00000  110.90400
   62    59    60    35.00000  117.00000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    75    70.00000  112.37300
   62    74    76    83.00000  116.90000
   71    62    63    37.50000  110.70000
   71    75    47    60.00000  120.94000
   71    75    51    80.00000  116.47100
   71    75    78    58.35000  112.70000
   73    71    72    33.00000  107.80000
   75    71    72    45.00000  109.38400
   75    71    73    45.00000  109.38400
   75    47    48    37.50000  117.20000
   75    47    51    15.00000   60.43100
   75    51    47    15.00000   59.14900
   75    78    79    45.00000  109.38400
   75    78    80    45.00000  109.38400
   75    78    81    45.00000  109.38400
   47    43    44    45.00000  109.38400
   47    43    45    70.00000  112.37300
   51    75    47    15.00000   60.43100
   51    47    48    50.00000  114.27700
   78    75    47    60.00000  120.94000
   78    75    51    80.00000  116.47100
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   74    62    63    35.00000  109.50000
   74    62    71    50.00000  109.50000
   74    76    77    83.00000  123.40000
   76    56    59    65.00000  118.96000
   55    49    50    35.00000  109.50000
   55    49    52    50.00000  109.50000
   55    57    58    83.00000  123.40000
   55    57    61    90.00000  111.29400
   57    61    64    65.00000  118.96000
   57    61    67    65.00000  116.34900
   61    57    58    80.00000  123.72100
   61    64    65    35.00000  120.00000
   61    64    66    35.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    35.00000  109.50000
   66    64    65    35.00000  117.00000
   67    61    64    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    52   0.34400  1.0 1.0
   39    45    49    52   0.09450 -1.0 2.0
   39    45    49    52   0.11100  1.0 3.0
   39    45    49    55   0.61850  1.0 1.0
   39    45    49    55  -0.22750 -1.0 2.0
   39    45    49    55   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    75  -0.26800  1.0 1.0
   42    43    47    75   0.69150 -1.0 2.0
   42    43    47    75  -0.48750  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    51   1.11900  1.0 1.0
   42    43    47    51  -1.16350 -1.0 2.0
   42    43    47    51  -0.34150  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    52   0.56750  1.0 1.0
   43    45    49    52  -0.07550 -1.0 2.0
   43    45    49    52   0.20000  1.0 3.0
   43    45    49    55   0.62750  1.0 1.0
   43    45    49    55  -0.30950 -1.0 2.0
   43    45    49    55   0.27300  1.0 3.0
   43    47   -51    75   0.06250  1.0 1.0
   43    47   -51    75  -0.01100 -1.0 2.0
   43    47   -51    75   0.28050  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    75   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    75   0.07850  1.0 1.0
   45    43    47    75  -0.03950 -1.0 2.0
   45    43    47    75   0.67350  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    51   0.02550  1.0 1.0
   45    43    47    51  -0.02600 -1.0 2.0
   45    43    47    51   1.20400  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   45    49    52    56   0.34400  1.0 1.0
   45    49    52    56   0.09450 -1.0 2.0
   45    49    52    56   0.11100  1.0 3.0
   45    49    55    57  -0.25900  1.0 1.0
   45    49    55    57  -0.47000 -1.0 2.0
   45    49    55    57   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   49    52    56    59   0.09850  1.0 1.0
   49    52    56    59   0.15250 -1.0 2.0
   49    52    56    59  -0.50650  1.0 3.0
   49    52    56    76   0.09700  1.0 1.0
   49    52    56    76   0.15600 -1.0 2.0
   49    52    56    76  -0.50800  1.0 3.0
   49    55    57    58   3.00000 -1.0 2.0
   49    55    57    61   2.00000 -1.0 2.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    56   0.15000  1.0 3.0
   50    49    55    57   0.08050  1.0 3.0
   52    49    55    57  -0.25900  1.0 1.0
   52    49    55    57  -0.47000 -1.0 2.0
   52    49    55    57   0.11750  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56    59    62   7.00000 -1.0 2.0
   52    56    76    74  -0.15000  1.0 1.0
   52    56    76    74   0.89550 -1.0 2.0
   52    56    76    74  -0.06900  1.0 3.0
   52    56    76    77  -0.64400  1.0 1.0
   52    56    76    77   0.26850 -1.0 2.0
   53    52    56    59   0.00000  1.0 1.0
   53    52    56    76   0.15000  1.0 3.0
   54    52    56    59   0.00000  1.0 1.0
   54    52    56    76   0.15000  1.0 3.0
   56    59    62    63   0.00000  1.0 1.0
   56    59    62    71   0.09850  1.0 1.0
   56    59    62    71   0.15250 -1.0 2.0
   56    59    62    71  -0.50650  1.0 3.0
   56    59   -62    74   0.39000  1.0 1.0
   56    59   -62    74  -0.05800 -1.0 2.0
   56    59   -62    74  -0.55150  1.0 3.0
   59    56   -76    74  -0.56150  1.0 1.0
   59    56   -76    74   2.19150 -1.0 2.0
   59    56    76    77   1.00000 -1.0 2.0
   59    62    71    72   0.15000  1.0 3.0
   59    62    71    73   0.15000  1.0 3.0
   59    62    71    75   0.34400  1.0 1.0
   59    62    71    75   0.09450 -1.0 2.0
   59    62    71    75   0.11100  1.0 3.0
   59    62   -74    76  -0.82050  1.0 1.0
   59    62   -74    76   0.00600 -1.0 2.0
   59    62   -74    76   0.04400  1.0 3.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    71   0.00000  1.0 1.0
   60    59    62    74   0.00000  1.0 1.0
   62    71    75    47   0.07850  1.0 1.0
   62    71    75    47  -0.03950 -1.0 2.0
   62    71    75    47   0.67350  1.0 3.0
   62    71    75    51   0.02550  1.0 1.0
   62    71    75    51  -0.02600 -1.0 2.0
   62    71    75    51   1.20400  1.0 3.0
   62    71    75    78   0.56750  1.0 1.0
   62    71    75    78  -0.07550 -1.0 2.0
   62    71    75    78   0.20000  1.0 3.0
   62    74   -76    56   2.00000 -1.0 2.0
   62    74    76    77   3.00000 -1.0 2.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.15000  1.0 3.0
   63    62    71    75   0.15000  1.0 3.0
   63    62    74    76   0.08050  1.0 3.0
   71    62    74    76  -0.25900  1.0 1.0
   71    62    74    76  -0.47000 -1.0 2.0
   71    62    74    76   0.11750  1.0 3.0
   71    75    47    43   0.56750  1.0 1.0
   71    75    47    43  -0.07550 -1.0 2.0
   71    75    47    43   0.20000  1.0 3.0
   71    75    47    48   0.15000  1.0 3.0
   71    75   -47    51   0.02550  1.0 1.0
   71    75   -47    51  -0.02600 -1.0 2.0
   71    75   -47    51   1.20400  1.0 3.0
   71    75   -51    47   0.06250  1.0 1.0
   71    75   -51    47  -0.01100 -1.0 2.0
   71    75   -51    47   0.28050  1.0 3.0
   71    75    78    79   0.15000  1.0 3.0
   71    75    78    80   0.15000  1.0 3.0
   71    75    78    81   0.15000  1.0 3.0
   72    71    75    47   0.15000  1.0 3.0
   72    71    75    51   0.23400  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   73    71    75    47   0.15000  1.0 3.0
   73    71    75    51   0.23400  1.0 3.0
   73    71    75    78   0.15000  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.47050  1.0 1.0
   47    43    45    49   0.03900 -1.0 2.0
   47    43    45    49   0.20100  1.0 3.0
   47    75    78    79   0.15000  1.0 3.0
   47    75    78    80   0.15000  1.0 3.0
   47    75    78    81   0.15000  1.0 3.0
   48    47   -51    75   0.36800  1.0 3.0
   51    75   -47    43   0.02550  1.0 1.0
   51    75   -47    43  -0.02600 -1.0 2.0
   51    75   -47    43   1.20400  1.0 3.0
   51    75   -47    48   0.23400  1.0 3.0
   51    75    78    79   0.23400  1.0 3.0
   51    75    78    80   0.23400  1.0 3.0
   51    75    78    81   0.23400  1.0 3.0
   78    75    47    43   0.56750  1.0 1.0
   78    75    47    43  -0.07550 -1.0 2.0
   78    75    47    43   0.20000  1.0 3.0
   78    75    47    48   0.15000  1.0 3.0
   78    75   -47    51   0.02550  1.0 1.0
   78    75   -47    51  -0.02600 -1.0 2.0
   78    75   -47    51   1.20400  1.0 3.0
   78    75   -51    47   0.06250  1.0 1.0
   78    75   -51    47  -0.01100 -1.0 2.0
   78    75   -51    47   0.28050  1.0 3.0
   74    62    71    72   0.23400  1.0 3.0
   74    62    71    73   0.23400  1.0 3.0
   74    62    71    75  -0.26800  1.0 1.0
   74    62    71    75   0.69150 -1.0 2.0
   74    62    71    75  -0.48750  1.0 3.0
   76    56    59    60   7.00000 -1.0 2.0
   76    56   -59    62   7.00000 -1.0 2.0
   55    49    52    53   0.23400  1.0 3.0
   55    49    52    54   0.23400  1.0 3.0
   55    49    52    56   0.61850  1.0 1.0
   55    49    52    56  -0.22750 -1.0 2.0
   55    49    52    56   0.15300  1.0 3.0
   55    57    61    64  -0.56150  1.0 1.0
   55    57    61    64   2.19150 -1.0 2.0
   55    57    61    67  -0.15000  1.0 1.0
   55    57    61    67   0.89550 -1.0 2.0
   55    57    61    67  -0.06900  1.0 3.0
   57    61    64    65   7.00000 -1.0 2.0
   57    61    64    66   7.00000 -1.0 2.0
   57    61    67    68   0.15000  1.0 3.0
   57    61    67    69   0.15000  1.0 3.0
   57    61    67    70   0.15000  1.0 3.0
   58    57    61    64   1.00000 -1.0 2.0
   58    57    61    67  -0.64400  1.0 1.0
   58    57    61    67   0.26850 -1.0 2.0
   64    61    67    68   0.00000  1.0 1.0
   64    61    67    69   0.00000  1.0 1.0
   64    61    67    70   0.00000  1.0 1.0
   67    61    64    65   7.00000 -1.0 2.0
   67    61    64    66   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    76    56    59   1.10000 -1.0 2.0
   62    60    59    56   1.10000 -1.0 2.0
   56    74    76    77  10.50000 -1.0 2.0
   55    61    57    58  10.50000 -1.0 2.0
   57    67    61    64  15.00000 -1.0 2.0
   65    66    64    61  15.00000 -1.0 2.0
END
