* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    162    267     491
    1     0 S   NP   _N1_     1    28.81129    96.15441   -24.15929
    2     1 S   H    _HN1     2     1.02948    72.40241    10.25248
    3     1 S   H    _H1_     3     1.02828    35.87948   174.93279
    4     1 S   H    _H2_     4     1.02789   110.91614   -93.20060
    5     1 S   CT   _CA1     5     1.50112   132.78999   112.08793
    6     5 S   HC   _HA1     6     1.09574   105.18401    93.15552
    7     5 S   CO3  _C1_     7     1.53774   112.45887   -27.07134
    8     7 S   O2Z  _O11     8     1.26371   115.01040   -42.96228
    9     7 S   O2Z  _O12     9     1.26238   114.93879   136.13219
   10     5 S   CT   _CB1    10     1.53071   107.41644  -148.87989
   11    10 S   HC   HB11    11     1.09836   109.34226   -49.72133
   12    10 S   HC   HB12    12     1.09811   110.46774    66.87594
   13    10 S   CT   _CG1    13     1.53004   112.62163  -170.68388
   14    13 S   HC   HG11    14     1.09577   110.67285   -66.41049
   15    13 S   HC   HG12    15     1.09671   109.74828    52.82955
   16    13 S   C    _CD1    16     1.51805   112.13127   173.28250
   17    16 S   O    _OE1    17     1.22744   123.24701     9.09042
   18    16 S   N    _N2_    18     1.38651   111.74269  -170.93102
   19    18 S   H    _HN2    19     1.01581   118.97084     1.35306
   20    18 S   CT1  _CA2    20     1.46194   123.36831   177.07283
   21    20 S   HC   _HA2    21     1.09741   109.29992     5.38307
   22    20 S   C    _C2_    22     1.53614   108.87616  -110.11106
   23    22 S   O    _O2_    23     1.23076   122.22595  -149.27548
   24    20 S   CT   _CB2    32     1.53299   111.58550   127.32941
   25    24 S   HC   HB21    33     1.09527   110.09678    56.67108
   26    24 S   HC   HB22    34     1.09514   110.08895   175.65878
   27    22 S   N    _N3_    24     1.38307   113.82747    38.25861
   28    27 S   H    _HN3    25     1.01563   119.60423    -3.33507
   29    24 S   S    _SG2    35     1.82871   111.45159   -64.71191
   30    27 S   CT   _CA3    26     1.45291   123.27209   177.12336
   31    30 S   HC   HA31    27     1.09548   107.51588   -64.65572
   32    30 S   HC   HA32    28     1.09555   107.99010    51.80020
   33    29 S   CT   _C20    36     1.86181    99.64683  -179.79442
   34    33 S   HC   _H7_    37     1.09735   105.81454    28.00654
   35    30 S   CO3  _C3_    29     1.52974   114.04092   173.79679
   36    35 S   O2Z  _O31    30     1.26382   116.05861    -0.44937
   37    35 S   O2Z  _O32    31     1.26423   114.42241   179.61033
   38    33 S   CM   _C19    38     1.51094   106.47964   -83.70561
   39    38 S   HC   _H22    39     1.08957   117.90295    35.74779
   40    38 S   CMA  _C18    40     1.34407   124.65642  -147.09216
   41    40 S   OM   _O35    41     1.25954   130.69451  -178.45010
   42    40 S   CM   _C17    42     1.45291   117.76802    -0.00000
   43    42 S   HC   _H21    43     1.09060   117.64462  -171.64652
   44    42 S   CM   _C16    44     1.34657   123.93240    10.71675
   45    44 S   CT   _C15    45     1.50628   119.26063   175.28657
   46    45 S   HC   _H19    46     1.09616   109.60628  -108.14444
   47    45 S   HC   _H20    47     1.09721   111.36737     8.56981
   48    45 S   CT   _C14    48     1.51688   111.70348   129.97762
   49    48 S   HC   _H17    49     1.09556   107.57696   176.30700
   50    48 S   HC   _H18    50     1.09803   109.45550   -67.99057
   51    48 S   CT   _C9_    51     1.53948   112.59530    54.44908
   52    51 S   HC   _H5_    52     1.09678   108.08772    63.81100
   53    51 S   CT   _C10    53     1.55823   109.93725  -177.65648
   54    53 S   HC   _H6_    54     1.10188   107.08340    60.24565
   55    51 S   CT   _C8_    70     1.56455   110.13047   -55.20853
   56    55 S   HC   _H4_    71     1.10290   104.88995   -61.22805
   57    53 S   CT   _C11    55     1.53049   113.93389   -56.12074
   58    57 S   HC   _H13    56     1.09681   109.81376    70.83000
   59    57 S   HC   _H14    57     1.09752   110.31186   -45.19625
   60    33 S   CT   _C21    72     1.59791   115.21814   146.88855
   61    57 S   CT   _C12    58     1.52466   113.66867  -167.80372
   62    61 S   HC   _H15    59     1.09712   108.25488  -125.31597
   63    61 S   HC   _H16    60     1.09602   109.88622   118.53870
   64    60 S   CT   _C22    73     1.55133   112.33898    32.47083
   65    64 S   HC   _H23    74     1.09100   113.78441   -57.94053
   66    64 S   HC   _H24    75     1.09481   112.31512  -178.11456
   67    64 S   HC   _H25    76     1.09749   110.89054    62.22982
   68    61 S   CO4  _C13    61     1.50795   116.82380    -4.17931
   69    68 S   O    _O33    62     1.22877   121.27185  -153.87937
   70    68 S   OS   _O34    63     1.35331   117.43344    29.33838
   71    53 S   CT   _C5_    64     1.53558   113.14611   178.08317
   72    71 S   CT   _C6_    65     1.53916   108.84730   -55.58694
   73    72 S   HC   _H11    66     1.09904   108.96971   -67.23855
   74    72 S   HC   _H12    67     1.09819   109.23234   178.19528
   75    71 S   CT   _C4_    79     1.53834   115.04977    70.20321
   76    75 S   HC   _H8_    80     1.09390   112.22168    70.20321
   77    75 S   HC   _H9_    81     1.09221   112.94696   -51.34837
   78    75 S   HC   _H10    82     1.09639   110.38751  -172.66709
   79    72 S   CT   _C7_    68     1.53003   114.12292    54.56081
   80    79 S   HC   _H3_    69     1.09279   106.82717  -174.28584
   81    79 S   OH   _O36    77     1.41929   109.07193    70.00698
   82    81 S   HO   _H26    78     0.97246   107.76072    62.08912
  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   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  21   9  15   6  11   6   5   8   6   4   3   4
   2   1   1   5   2   9  10  10   5   4   4   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    79    55    56    60    64    65    66    67  
   38    39    40    44    55    60    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    64  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    64  
   44    45    60  
   45    46    47    48    49    50    51    79    55    56    60    64    65    66    67  
   46    47    48    49    50    51    52    53    55    60    64  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    71    79    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    70    71    72    79    80    55    56    60    64    81    75  
   53    54    57    71    79    55    56    60  
   54    57    58    59    61    62    63    68    70    71    72    73    74    79    55    56    60    75    76    77    78  
   57    58    59    61    70    71    72    55    75  
   56    60    64    65    66    67    81    82    57    71    72    73    74    79    80  
   60    64    81    72    79    80  
   58    59    61    62    63    68    69    70    71    72    75  
   59    61    62    63    68    71  
   61    62    63    68    71  
   64    65    66    67    81    72    79    80  
   62    63    68    69    70    71  
   63    68    69    70  
   68    69    70  
   65    66    67    79  
   66    67  
   67  
    0  
   69    70    71    72    75  
   70    71  
   71    72    73    74    79    75    76    77    78  
   72    73    74    79    80    81    75    76    77    78  
   73    74    79    80    81    82    75    76    77    78  
   74    79    80    81    75  
   79    80    81    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    71   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   317.000  1.522
   68    69   570.000  1.229
   68    70   214.000  1.327
   70    71   320.000  1.410
   71    72   268.000  1.529
   71    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   340.000  1.090
   79    55   268.000  1.529
   79    81   320.000  1.410
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   81    82   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    64    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    64    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    71    58.35000  112.70000
   51    55    79    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    71    70    50.00000  109.50000
   53    71    72    58.35000  112.70000
   53    71    75    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    68    63.00000  111.10000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    68    69    80.00000  120.40000
   61    68    70    81.00000  111.40000
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    70    71    83.00000  116.90000
   70    68    69    83.00000  123.40000
   70    71    72    50.00000  109.50000
   70    71    75    50.00000  109.50000
   71    53    54    37.50000  110.70000
   71    53    57    58.35000  112.70000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    79    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    55    58.35000  112.70000
   72    79    81    50.00000  109.50000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   79    55    56    37.50000  110.70000
   79    55    60    58.35000  112.70000
   79    81    82    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    79    80    37.50000  110.70000
   55    60    64    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   81    79    80    35.00000  109.50000
   81    79    55    50.00000  109.50000
   75    71    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    60    44   0.56750  1.0 1.0
   29    33    60    44  -0.07550 -1.0 2.0
   29    33    60    44   0.20000  1.0 3.0
   29    33    60    55   0.44750  1.0 1.0
   29    33    60    55  -0.17800 -1.0 2.0
   29    33    60    55   0.20200  1.0 3.0
   29    33    60    64   0.44750  1.0 1.0
   29    33    60    64  -0.17800 -1.0 2.0
   29    33    60    64   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    60    64    65   0.15000  1.0 3.0
   33    60    64    66   0.15000  1.0 3.0
   33    60    64    67   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    60    44   0.15000  1.0 3.0
   34    33    60    55   0.15000  1.0 3.0
   34    33    60    64   0.15000  1.0 3.0
   38    33    60    44   0.31000  1.0 1.0
   38    33    60    44   0.14700 -1.0 2.0
   38    33    60    44   0.07550  1.0 3.0
   38    33    60    55   0.34400  1.0 1.0
   38    33    60    55   0.09450 -1.0 2.0
   38    33    60    55   0.11100  1.0 3.0
   38    33    60    64   0.34400  1.0 1.0
   38    33    60    64   0.09450 -1.0 2.0
   38    33    60    64   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    60   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    45    46   0.00000  1.0 1.0
   42    44    45    47   0.00000  1.0 1.0
   42    44    45    48   0.09850  1.0 1.0
   42    44    45    48   0.15250 -1.0 2.0
   42    44    45    48  -0.50650  1.0 3.0
   42    44   -60    33   0.09850  1.0 1.0
   42    44   -60    33   0.15250 -1.0 2.0
   42    44   -60    33  -0.50650  1.0 3.0
   42    44    60    55   0.09850  1.0 1.0
   42    44    60    55   0.15250 -1.0 2.0
   42    44    60    55  -0.50650  1.0 3.0
   42    44    60    64   0.09850  1.0 1.0
   42    44    60    64   0.15250 -1.0 2.0
   42    44    60    64  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    60   7.00000 -1.0 2.0
   44    45    48    49   0.15000  1.0 3.0
   44    45    48    50   0.15000  1.0 3.0
   44    45    48    51   0.34400  1.0 1.0
   44    45    48    51   0.09450 -1.0 2.0
   44    45    48    51   0.11100  1.0 3.0
   44    60    64    65   0.15000  1.0 3.0
   44    60    64    66   0.15000  1.0 3.0
   44    60    64    67   0.15000  1.0 3.0
   45    44    60    33   0.46850  1.0 1.0
   45    44    60    33   0.08550 -1.0 2.0
   45    44    60    33   0.09800  1.0 3.0
   45    44    60    55   0.46850  1.0 1.0
   45    44    60    55   0.08550 -1.0 2.0
   45    44    60    55   0.09800  1.0 3.0
   45    44    60    64   0.46850  1.0 1.0
   45    44    60    64   0.08550 -1.0 2.0
   45    44    60    64   0.09800  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.56750  1.0 1.0
   45    48    51    53  -0.07550 -1.0 2.0
   45    48    51    53   0.20000  1.0 3.0
   45    48   -51    55   0.56750  1.0 1.0
   45    48   -51    55  -0.07550 -1.0 2.0
   45    48   -51    55   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    57   0.56750  1.0 1.0
   48    51    53    57  -0.07550 -1.0 2.0
   48    51    53    57   0.20000  1.0 3.0
   48    51    53    71   0.56750  1.0 1.0
   48    51    53    71  -0.07550 -1.0 2.0
   48    51    53    71   0.20000  1.0 3.0
   48    51    55    79   0.56750  1.0 1.0
   48    51    55    79  -0.07550 -1.0 2.0
   48    51    55    79   0.20000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    60   0.56750  1.0 1.0
   48    51    55    60  -0.07550 -1.0 2.0
   48    51    55    60   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    55   0.15000  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    59   0.15000  1.0 3.0
   51    53    57    61   0.56750  1.0 1.0
   51    53    57    61  -0.07550 -1.0 2.0
   51    53    57    61   0.20000  1.0 3.0
   51    53    71    70   0.62750  1.0 1.0
   51    53    71    70  -0.30950 -1.0 2.0
   51    53    71    70   0.27300  1.0 3.0
   51    53    71    72   0.56750  1.0 1.0
   51    53    71    72  -0.07550 -1.0 2.0
   51    53    71    72   0.20000  1.0 3.0
   51    53    71    75   0.56750  1.0 1.0
   51    53    71    75  -0.07550 -1.0 2.0
   51    53    71    75   0.20000  1.0 3.0
   51    55    60    33   0.56750  1.0 1.0
   51    55    60    33  -0.07550 -1.0 2.0
   51    55    60    33   0.20000  1.0 3.0
   51    55   -60    44   0.34400  1.0 1.0
   51    55   -60    44   0.09450 -1.0 2.0
   51    55   -60    44   0.11100  1.0 3.0
   51    55    60    64   0.56750  1.0 1.0
   51    55    60    64  -0.07550 -1.0 2.0
   51    55    60    64   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    71   0.15000  1.0 3.0
   52    51    55    79   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   53    51    55    79   0.56750  1.0 1.0
   53    51    55    79  -0.07550 -1.0 2.0
   53    51    55    79   0.20000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    60   0.56750  1.0 1.0
   53    51    55    60  -0.07550 -1.0 2.0
   53    51    55    60   0.20000  1.0 3.0
   53    57    61    62   0.15000  1.0 3.0
   53    57    61    63   0.15000  1.0 3.0
   53    57    61    68  -0.95700  1.0 1.0
   53    57    61    68  -0.18200 -1.0 2.0
   53    57    61    68   0.29450  1.0 3.0
   53    71    72    73   0.15000  1.0 3.0
   53    71    72    74   0.15000  1.0 3.0
   53    71   -72    79   0.56750  1.0 1.0
   53    71   -72    79  -0.07550 -1.0 2.0
   53    71   -72    79   0.20000  1.0 3.0
   53    71    75    76   0.15000  1.0 3.0
   53    71    75    77   0.15000  1.0 3.0
   53    71    75    78   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    71    70   0.23400  1.0 3.0
   54    53    71    72   0.15000  1.0 3.0
   54    53    71    75   0.15000  1.0 3.0
   57    53    71    70   0.62750  1.0 1.0
   57    53    71    70  -0.30950 -1.0 2.0
   57    53    71    70   0.27300  1.0 3.0
   57    53    71    72   0.56750  1.0 1.0
   57    53    71    72  -0.07550 -1.0 2.0
   57    53    71    72   0.20000  1.0 3.0
   57    53    71    75   0.56750  1.0 1.0
   57    53    71    75  -0.07550 -1.0 2.0
   57    53    71    75   0.20000  1.0 3.0
   57    61    68    69   0.30150 -1.0 2.0
   57    61   -68    70   0.36750  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    68  -0.11250  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    68  -0.11250  1.0 3.0
   61    68    70    71   1.63150  1.0 1.0
   61    68    70    71   2.92000 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    70   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   63    61    68    70   0.00000  1.0 1.0
   68    70   -71    53  -0.25900  1.0 1.0
   68    70   -71    53  -0.47000 -1.0 2.0
   68    70   -71    53   0.11750  1.0 3.0
   68    70    71    72  -0.25900  1.0 1.0
   68    70    71    72  -0.47000 -1.0 2.0
   68    70    71    72   0.11750  1.0 3.0
   68    70    71    75  -0.25900  1.0 1.0
   68    70    71    75  -0.47000 -1.0 2.0
   68    70    71    75   0.11750  1.0 3.0
   69    68    70    71   3.00000 -1.0 2.0
   70    71    72    73   0.23400  1.0 3.0
   70    71    72    74   0.23400  1.0 3.0
   70    71    72    79   0.62750  1.0 1.0
   70    71    72    79  -0.30950 -1.0 2.0
   70    71    72    79   0.27300  1.0 3.0
   70    71    75    76   0.23400  1.0 3.0
   70    71    75    77   0.23400  1.0 3.0
   70    71    75    78   0.23400  1.0 3.0
   71    53    57    58   0.15000  1.0 3.0
   71    53    57    59   0.15000  1.0 3.0
   71    53   -57    61   0.56750  1.0 1.0
   71    53   -57    61  -0.07550 -1.0 2.0
   71    53   -57    61   0.20000  1.0 3.0
   71    72    79    80   0.15000  1.0 3.0
   71    72    79    55   0.56750  1.0 1.0
   71    72    79    55  -0.07550 -1.0 2.0
   71    72    79    55   0.20000  1.0 3.0
   71    72    79    81   0.86500  1.0 1.0
   71    72    79    81  -0.17500 -1.0 2.0
   71    72    79    81   0.20800  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   72    79   -55    51   0.56750  1.0 1.0
   72    79   -55    51  -0.07550 -1.0 2.0
   72    79   -55    51   0.20000  1.0 3.0
   72    79    55    56   0.15000  1.0 3.0
   72    79    55    60   0.56750  1.0 1.0
   72    79    55    60  -0.07550 -1.0 2.0
   72    79    55    60   0.20000  1.0 3.0
   72    79    81    82  -0.11600  1.0 1.0
   72    79    81    82  -0.09450 -1.0 2.0
   72    79    81    82   0.21250  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    55   0.15000  1.0 3.0
   73    72    79    81   0.23400  1.0 3.0
   74    72    79    80   0.15000  1.0 3.0
   74    72    79    55   0.15000  1.0 3.0
   74    72    79    81   0.23400  1.0 3.0
   79    55    60    33   0.56750  1.0 1.0
   79    55    60    33  -0.07550 -1.0 2.0
   79    55    60    33   0.20000  1.0 3.0
   79    55    60    44   0.34400  1.0 1.0
   79    55    60    44   0.09450 -1.0 2.0
   79    55    60    44   0.11100  1.0 3.0
   79    55    60    64   0.56750  1.0 1.0
   79    55    60    64  -0.07550 -1.0 2.0
   79    55    60    64   0.20000  1.0 3.0
   80    79    55    51   0.15000  1.0 3.0
   80    79    55    56   0.15000  1.0 3.0
   80    79    55    60   0.15000  1.0 3.0
   80    79    81    82   0.19450  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.56750  1.0 1.0
   55    51    53    57  -0.07550 -1.0 2.0
   55    51    53    57   0.20000  1.0 3.0
   55    51   -53    71   0.56750  1.0 1.0
   55    51   -53    71  -0.07550 -1.0 2.0
   55    51   -53    71   0.20000  1.0 3.0
   55    79    81    82  -0.11600  1.0 1.0
   55    79    81    82  -0.09450 -1.0 2.0
   55    79    81    82   0.21250  1.0 3.0
   55    60    64    65   0.15000  1.0 3.0
   55    60    64    66   0.15000  1.0 3.0
   55    60    64    67   0.15000  1.0 3.0
   56    55    60    33   0.15000  1.0 3.0
   56    55    60    44   0.15000  1.0 3.0
   56    55    60    64   0.15000  1.0 3.0
   60    33    38    39   0.00000  1.0 1.0
   60    33   -38    40   0.09850  1.0 1.0
   60    33   -38    40   0.15250 -1.0 2.0
   60    33   -38    40  -0.50650  1.0 3.0
   60    44    45    46   0.34800  1.0 3.0
   60    44    45    47   0.34800  1.0 3.0
   60    44   -45    48   0.46850  1.0 1.0
   60    44   -45    48   0.08550 -1.0 2.0
   60    44   -45    48   0.09800  1.0 3.0
   81    79    55    51   0.86500  1.0 1.0
   81    79    55    51  -0.17500 -1.0 2.0
   81    79    55    51   0.20800  1.0 3.0
   81    79    55    56   0.23400  1.0 3.0
   81    79    55    60   0.86500  1.0 1.0
   81    79    55    60  -0.17500 -1.0 2.0
   81    79    55    60   0.20800  1.0 3.0
   75    71    72    73   0.15000  1.0 3.0
   75    71    72    74   0.15000  1.0 3.0
   75    71    72    79   0.56750  1.0 1.0
   75    71    72    79  -0.07550 -1.0 2.0
   75    71    72    79   0.20000  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   61    70    68    69  10.50000 -1.0 2.0
END
