* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    250     471
    1     0 S   NP   _N1_     1    29.76246    92.19795   -18.31735
    2     1 S   H    _HN1     2     1.02736    65.31020   -79.94140
    3     1 S   H    _H1_     3     1.03183   118.50222    17.97598
    4     1 S   H    _H2_     4     1.02802    42.91094   102.63861
    5     1 S   CT   _CA1     5     1.50259   129.33153  -179.23230
    6     5 S   HC   _HA1     6     1.09531   105.17892    19.73639
    7     5 S   CO3  _C1_     7     1.54100   112.52621  -100.38168
    8     7 S   O2Z  _O11     8     1.26425   115.07289   -27.54963
    9     7 S   O2Z  _O12     9     1.26299   115.15108   151.42800
   10     5 S   CT   _CB1    10     1.53062   107.16229   138.40604
   11    10 S   HC   HB11    11     1.09839   110.02348   -37.68730
   12    10 S   HC   HB12    12     1.09861   109.87799    78.77729
   13    10 S   CT   _CG1    13     1.53158   113.31604  -158.71336
   14    13 S   HC   HG11    14     1.09312   110.89348   -49.69802
   15    13 S   HC   HG12    15     1.09567   110.46362    69.33680
   16    13 S   C    _CD1    16     1.51764   109.96716  -171.58578
   17    16 S   O    _OE1    17     1.22891   122.07443   -42.68912
   18    16 S   N    _N2_    18     1.38446   112.97534   137.10567
   19    18 S   H    _HN2    19     1.01532   119.45419     4.21459
   20    18 S   CT1  _CA2    20     1.46207   122.94849  -172.32811
   21    20 S   HC   _HA2    21     1.09724   109.31087    -8.45963
   22    20 S   C    _C2_    22     1.53273   108.89382  -124.54177
   23    22 S   O    _O2_    23     1.23030   122.14269  -146.33360
   24    20 S   CT   _CB2    32     1.53661   111.37544   112.87463
   25    24 S   HC   HB21    33     1.09269   109.85458    65.47415
   26    24 S   HC   HB22    34     1.09563   110.03546  -177.35929
   27    22 S   N    _N3_    24     1.38475   113.45382    41.01048
   28    27 S   H    _HN3    25     1.01527   118.91105    -0.48457
   29    24 S   S    _SG2    35     1.83063   111.66183   -58.36196
   30    27 S   CT   _CA3    26     1.45433   123.35642   175.25624
   31    30 S   HC   HA31    27     1.09531   109.11990    26.68620
   32    30 S   HC   HA32    28     1.09494   107.15420   143.64735
   33    29 S   CT   _C11    36     1.86259   101.86206   133.68839
   34    30 S   CO3  _C3_    29     1.52921   113.18147   -96.72394
   35    34 S   O2Z  _O31    30     1.26396   115.42780   -44.99545
   36    34 S   O2Z  _O32    31     1.26361   114.97651   135.97337
   37    33 S   CT   _C7_    37     1.56606   108.00486   170.56922
   38    37 S   HC   _H4_    38     1.10229   107.59426   -40.63751
   39    33 S   CT   _C12    79     1.54936   110.33966   -63.76665
   40    39 S   HC   _H15    80     1.09335   111.55277  -172.38349
   41    39 S   HC   _H16    81     1.09403   111.64780    69.04206
   42    37 S   CT   _C8_    39     1.55546   105.52828  -152.50852
   43    42 S   HC   _H5_    40     1.09764   109.36732   131.59330
   44    39 S   OH   _O34    82     1.41979   111.89603   -51.78530
   45    44 S   HO   _H17    83     0.97373   107.95626  -168.92424
   46    42 S   CM   _C4_    41     1.49952   113.10816  -108.42911
   47    46 S   HC   _H13    42     1.08591   118.46472   178.54950
   48    42 S   CT   _C9_    71     1.54294   105.55190    12.34480
   49    48 S   HC   _H6_    72     1.09684   111.63534  -103.07826
   50    46 S   CM   _C5_    43     1.33574   122.02982     1.90022
   51    50 S   HC   _H14    44     1.08092   123.43663   174.02663
   52    33 S   CT   _C10    73     1.54985   112.04755    60.57553
   53    52 S   HC   _H7_    74     1.09455   113.84509   -79.64549
   54    48 S   OH   _O36    77     1.41996   112.01737   136.48537
   55    54 S   HO   _H19    78     0.97268   107.42841    58.26415
   56    50 S   OS   _O33    45     1.36610   125.56184    -3.26675
   57    52 S   OH   _O35    75     1.42951   111.48852    42.78626
   58    57 S   HO   _H18    76     0.97369   106.82904   163.43022
   59    37 S   CO   _C6_    46     1.54035   118.46352    80.30212
   60    59 S   HC   _H3_    47     1.09559   109.19279   -43.39549
   61    59 S   OS1  _O37    48     1.43987   107.39289  -159.97596
   62    61 S   CO1  _C13    49     1.43366   112.74237   166.00700
   63    62 S   HC   _H8_    50     1.09782   109.26425    45.05715
   64    62 S   CT   _C14    51     1.53311   107.15882   164.12840
   65    64 S   HC   _H9_    52     1.09678   110.07403    52.90091
   66    64 S   CT   _C15    53     1.52976   111.05551   174.89029
   67    66 S   HC   _H10    54     1.09666   110.26697    73.22508
   68    64 S   OH5  _O42    69     1.42964   110.01983   -63.93282
   69    68 S   HO   _H25    70     0.97237   108.15641   -57.81087
   70    66 S   CT   _C16    55     1.53111   111.22726   -49.48578
   71    70 S   HC   _H11    56     1.09710   109.03035   -71.45501
   72    66 S   OH5  _O41    67     1.42952   109.67817  -170.83687
   73    72 S   HO   _H24    68     0.97240   108.12995    60.00466
   74    70 S   CT   _C17    57     1.53299   110.89351    49.85790
   75    74 S   HC   _H12    58     1.09826   111.01921    64.90240
   76    70 S   OH5  _O40    65     1.42643   109.66151   171.76873
   77    76 S   HO   _H23    66     0.97257   108.17011   -56.75888
   78    62 S   OS1  _O38    59     1.42918   110.54280   -76.04920
   79    74 S   CT   _C18    60     1.53048   111.13974  -174.28581
   80    79 S   HC   _H20    61     1.09527   110.81255    71.33538
   81    79 S   HC   _H21    62     1.09380   111.74072   -50.97549
   82    79 S   OH5  _O39    63     1.42509   109.31370  -169.87863
   83    82 S   HO   _H22    64     0.97310   106.70270  -169.72370
  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  13   5   4   3
  21   2   1   1  21  10  10   4   3  16   8   2   1   9   4   9
   5   5   2   6   3   2   1   4   1   1   6   2   8  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    59    48    52    53    57    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    56    59    60    61    48    49    52    53    57    58    54    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    50    56    59    60    61    62    48    49    52    53    57    54    39    40    41    44  
   42    43    46    56    59    60    61    48    52    39  
   40    41    44    45    42    48    52    53    57    59  
   41    44    45    52  
   44    45    52  
   43    46    47    50    51    56    59    60    61    48    49    52    53    57    54    55  
   46    47    50    59    48    49    52    54  
   45    52  
    0  
   47    50    51    56    59    48    49    52    54  
   50    51    56    48  
   49    52    53    57    58    54    55    50    59  
   52    53    57    54    55  
   51    56    59    60    61  
   56    59  
   53    57    58    54    55    59  
   57    58    54  
   55    57  
    0  
   59    60    61    62  
   58  
    0  
   60    61    62    63    64    78  
   61    62  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    59   250.000  1.527
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    56   440.000  1.360
   56    59   320.000  1.380
   59    60   340.000  1.090
   59    61   320.000  1.380
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    57   320.000  1.410
   57    58   553.000  0.945
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    59    75.00000  109.43000
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    57    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    70.00000  112.02700
   37    42    48    58.35000  112.70000
   37    59    56    90.00000  108.56700
   37    59    60    45.00000  112.01100
   37    59    61    90.00000  108.56700
   42    37    38    37.50000  110.70000
   42    46    47    35.00000  117.00000
   42    46    50    70.00000  124.00000
   42    48    49    37.50000  110.70000
   42    48    52    58.35000  112.70000
   42    48    54    50.00000  109.50000
   46    42    43    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    56    80.00000  120.01400
   50    46    47    35.00000  120.00000
   50    56    59    85.00000  113.97000
   56    50    51    55.00000  109.52600
   56    59    60    35.00000  109.50000
   56    59    61    92.60000  111.55000
   59    37    38    45.00000  108.72000
   59    37    42    75.00000  109.43000
   59    61    62    90.00000  112.10700
   61    59    60    35.00000  109.50000
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   48    42    43    37.50000  110.70000
   48    42    46    70.00000  112.02700
   48    52    53    37.50000  110.70000
   48    52    57    50.00000  109.50000
   48    54    55    55.00000  108.50000
   52    33    37    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    57    58    55.00000  108.50000
   57    52    53    35.00000  109.50000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    59   0.44750  1.0 1.0
   29    33    37    59  -0.17800 -1.0 2.0
   29    33    37    59   0.20200  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    57   0.56750  1.0 1.0
   29    33    52    57  -0.07550 -1.0 2.0
   29    33    52    57   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.34400  1.0 1.0
   33    37    42    46   0.09450 -1.0 2.0
   33    37    42    46   0.11100  1.0 3.0
   33    37   -42    48   0.56750  1.0 1.0
   33    37   -42    48  -0.07550 -1.0 2.0
   33    37   -42    48   0.20000  1.0 3.0
   33    37    59    56   0.62750  1.0 1.0
   33    37    59    56  -0.30950 -1.0 2.0
   33    37    59    56   0.27300  1.0 3.0
   33    37    59    60   0.15000  1.0 3.0
   33    37    59    61   0.62750  1.0 1.0
   33    37    59    61  -0.30950 -1.0 2.0
   33    37    59    61   0.27300  1.0 3.0
   33    52    57    58  -0.11600  1.0 1.0
   33    52    57    58  -0.09450 -1.0 2.0
   33    52    57    58   0.21250  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -52    48   0.56750  1.0 1.0
   37    33   -52    48  -0.07550 -1.0 2.0
   37    33   -52    48   0.20000  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    57   0.86500  1.0 1.0
   37    33    52    57  -0.17500 -1.0 2.0
   37    33    52    57   0.20800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    50   0.09850  1.0 1.0
   37    42    46    50   0.15250 -1.0 2.0
   37    42    46    50  -0.50650  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42   -48    52   0.56750  1.0 1.0
   37    42   -48    52  -0.07550 -1.0 2.0
   37    42   -48    52   0.20000  1.0 3.0
   37    42    48    54   0.86500  1.0 1.0
   37    42    48    54  -0.17500 -1.0 2.0
   37    42    48    54   0.20800  1.0 3.0
   37    59    61    62   0.06250  1.0 1.0
   37    59    61    62  -0.01100 -1.0 2.0
   37    59    61    62   0.28050  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    59    56   0.23400  1.0 3.0
   38    37    59    60   0.15000  1.0 3.0
   38    37    59    61   0.23400  1.0 3.0
   42    37    59    56   0.62750  1.0 1.0
   42    37    59    56  -0.30950 -1.0 2.0
   42    37    59    56   0.27300  1.0 3.0
   42    37    59    60   0.15000  1.0 3.0
   42    37    59    61   0.62750  1.0 1.0
   42    37    59    61  -0.30950 -1.0 2.0
   42    37    59    61   0.27300  1.0 3.0
   42    46    50    51   7.00000 -1.0 2.0
   42    46   -50    56   7.00000 -1.0 2.0
   42    48   -52    33   0.56750  1.0 1.0
   42    48   -52    33  -0.07550 -1.0 2.0
   42    48   -52    33   0.20000  1.0 3.0
   42    48    52    53   0.15000  1.0 3.0
   42    48    52    57   0.86500  1.0 1.0
   42    48    52    57  -0.17500 -1.0 2.0
   42    48    52    57   0.20800  1.0 3.0
   42    48    54    55  -0.11600  1.0 1.0
   42    48    54    55  -0.09450 -1.0 2.0
   42    48    54    55   0.21250  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    52   0.15000  1.0 3.0
   43    42    48    54   0.23400  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    52   0.34400  1.0 1.0
   46    42    48    52   0.09450 -1.0 2.0
   46    42    48    52   0.11100  1.0 3.0
   46    42    48    54   1.05650  1.0 1.0
   46    42    48    54   0.15600 -1.0 2.0
   46    42    48    54   0.53150  1.0 3.0
   46    50    56    59  -2.26850  1.0 1.0
   46    50    56    59   3.39050 -1.0 2.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    56   7.00000 -1.0 2.0
   50    56   -59    37  -0.46850  1.0 1.0
   50    56   -59    37   0.09300 -1.0 2.0
   50    56   -59    37  -0.12850  1.0 3.0
   50    56    59    60   0.08050  1.0 3.0
   50    56    59    61  -0.48150  1.0 1.0
   50    56    59    61   0.09250 -1.0 2.0
   50    56    59    61  -0.12850  1.0 3.0
   51    50    56    59   0.50000 -1.0 2.0
   56    59    61    62  -0.53350  1.0 1.0
   56    59    61    62  -0.78350 -1.0 2.0
   56    59    61    62   0.33750  1.0 3.0
   59    37    42    43   0.15000  1.0 3.0
   59    37   -42    46   0.34400  1.0 1.0
   59    37   -42    46   0.09450 -1.0 2.0
   59    37   -42    46   0.11100  1.0 3.0
   59    37    42    48   3.97050  1.0 1.0
   59    61    62    63   0.37050  1.0 3.0
   59    61    62    64   0.06250  1.0 1.0
   59    61    62    64  -0.01100 -1.0 2.0
   59    61    62    64   0.28050  1.0 3.0
   59    61    62    78  -0.12700  1.0 1.0
   59    61    62    78  -1.16200 -1.0 2.0
   59    61    62    78   0.58800  1.0 3.0
   60    59    61    62   0.37050  1.0 3.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   48    42    46    47   0.00000  1.0 1.0
   48    42    46    50   0.09850  1.0 1.0
   48    42    46    50   0.15250 -1.0 2.0
   48    42    46    50  -0.50650  1.0 3.0
   48    52    57    58  -0.11600  1.0 1.0
   48    52    57    58  -0.09450 -1.0 2.0
   48    52    57    58   0.21250  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    57   0.23400  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    42   0.56750  1.0 1.0
   52    33   -37    42  -0.07550 -1.0 2.0
   52    33   -37    42   0.20000  1.0 3.0
   52    33    37    59   3.97050  1.0 1.0
   52    33    39    40   0.15000  1.0 3.0
   52    33    39    41   0.15000  1.0 3.0
   52    33    39    44   0.86500  1.0 1.0
   52    33    39    44  -0.17500 -1.0 2.0
   52    33    39    44   0.20800  1.0 3.0
   52    48    54    55  -0.11600  1.0 1.0
   52    48    54    55  -0.09450 -1.0 2.0
   52    48    54    55   0.21250  1.0 3.0
   53    52    57    58   0.19450  1.0 3.0
   54    48    52    33   0.86500  1.0 1.0
   54    48    52    33  -0.17500 -1.0 2.0
   54    48    52    33   0.20800  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    57   3.75450  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    59   3.97050  1.0 1.0
   39    33    52    48   0.56750  1.0 1.0
   39    33    52    48  -0.07550 -1.0 2.0
   39    33    52    48   0.20000  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    57   0.86500  1.0 1.0
   39    33    52    57  -0.17500 -1.0 2.0
   39    33    52    57   0.20800  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   42    47    46    50   1.10000 -1.0 2.0
   56    51    50    46   1.10000 -1.0 2.0
END
