* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    160    264     482
    1     0 S   NP   _N1_     1    28.85509    95.98260   -24.83743
    2     1 S   H    _HN1     2     1.02798   116.08871   -94.71041
    3     1 S   H    _H1_     3     1.02948    72.51089     7.61309
    4     1 S   H    _H2_     4     1.02827    34.79600  -178.64016
    5     1 S   CT   _CA1     5     1.50130   127.58952   110.28541
    6     5 S   HC   _HA1     6     1.09574   105.16461    94.59463
    7     5 S   CO3  _C1_     7     1.53765   112.39459   -25.63890
    8     7 S   O2Z  _O11     8     1.26380   115.00744   -44.02314
    9     7 S   O2Z  _O12     9     1.26226   114.93417   134.90395
   10     5 S   CT   _CB1    10     1.53044   107.39308  -147.44272
   11    10 S   HC   HB11    11     1.09846   109.35425   -49.12971
   12    10 S   HC   HB12    12     1.09810   110.47562    67.45542
   13    10 S   CT   _CG1    13     1.53037   112.65138  -170.03372
   14    13 S   HC   HG11    14     1.09566   110.77829   -67.14923
   15    13 S   HC   HG12    15     1.09665   109.68882    52.12522
   16    13 S   C    _CD1    16     1.51811   111.83164   172.65319
   17    16 S   O    _OE1    17     1.22774   123.11373    14.22808
   18    16 S   N    _N2_    18     1.38634   111.95093  -165.88324
   19    18 S   H    _HN2    19     1.01590   119.06121     0.86275
   20    18 S   CT1  _CA2    20     1.46236   123.30033   176.70753
   21    20 S   HC   _HA2    21     1.09745   109.24025     8.21726
   22    20 S   C    _C2_    22     1.53700   109.02833  -107.32555
   23    22 S   O    _O2_    23     1.23092   122.18187  -149.76027
   24    20 S   CT   _CB2    32     1.53497   111.65685   130.13448
   25    24 S   HC   HB21    33     1.09403   109.48176    58.15499
   26    24 S   HC   HB22    34     1.09387   109.46889   176.92750
   27    22 S   N    _N3_    24     1.38294   113.93205    37.76304
   28    27 S   H    _HN3    25     1.01536   119.61002    -3.35258
   29    24 S   S    _SG2    35     1.82964   111.02022   -63.55095
   30    27 S   CT   _CA3    26     1.45282   123.31345   177.18464
   31    30 S   HC   HA31    27     1.09547   107.51128   -64.84599
   32    30 S   HC   HA32    28     1.09555   108.00369    51.62025
   33    29 S   CT   _C10    36     1.90898   102.42559   171.86549
   34    30 S   CO3  _C3_    29     1.52984   114.02222   173.61254
   35    34 S   O2Z  _O31    30     1.26389   116.07243    -0.66558
   36    34 S   O2Z  _O32    31     1.26423   114.42157   179.39997
   37    33 S   CM   _C9_    37     1.51573   105.01564   -64.15812
   38    37 S   HC   _H12    38     1.08999   116.42049    86.89376
   39    33 S   CT   _C11    70     1.54606   109.67996    56.17438
   40    39 S   HC   _H13    71     1.09647   111.53630   -60.90117
   41    39 S   HC   _H14    72     1.09720   110.17139  -175.92268
   42    37 S   CMA  _C8_    39     1.35018   125.74783   -92.61279
   43    42 S   OM   _O34    40     1.26204   129.24227   179.63631
   44    42 S   CT   _C7_    41     1.52753   119.55440    -0.97358
   45    44 S   HC   _H10    42     1.10007   110.29758   126.41075
   46    44 S   HC   _H11    43     1.10071   108.68745  -117.74451
   47    44 S   CT   _C6_    44     1.54099   116.53622     3.79591
   48    47 S   HC   _H8_    45     1.09682   108.37098    90.86955
   49    47 S   HC   _H9_    46     1.09854   107.90842  -155.64921
   50    33 S   CT   _C5_    47     1.58015   110.07398   176.54498
   51    50 S   CM   _C14    48     1.54746   108.99098   -61.95681
   52    50 S   CT   _C4_    77     1.56365   112.87400  -179.07064
   53    52 S   HC   _H5_    78     1.09379   112.90420   -56.29083
   54    52 S   HC   _H6_    79     1.09747   110.42616  -176.12551
   55    52 S   HC   _H7_    80     1.09342   113.47148    64.41561
   56    51 S   CM   _C15    49     1.35426   123.65659   127.63469
   57    56 S   HC   _H17    50     1.08547   120.60948    -2.45136
   58    51 S   CT   _C13    65     1.54534   115.27185   -53.24600
   59    58 S   HC   _H3_    66     1.09696   107.79209   -73.46344
   60    56 S   CT   _C16    51     1.51335   125.06846   175.41388
   61    60 S   HC   _H18    52     1.09707   108.76877   106.96267
   62    60 S   HC   _H19    53     1.09683   109.14122  -137.48023
   63    58 S   CT   _C12    67     1.54182   113.45526    45.22302
   64    63 S   HC   _H15    68     1.09747   109.15100  -163.97969
   65    63 S   HC   _H16    69     1.09688   110.11718    80.75207
   66    60 S   CT   _C17    54     1.52705   111.23419   -15.86769
   67    66 S   CO4  _C21    55     1.51699   116.45520   158.26475
   68    67 S   O    _O33    56     1.22398   124.62298    42.78537
   69    66 S   CT   _C22    73     1.53950   111.35967   -78.33055
   70    69 S   HC   _H24    74     1.09411   112.62493    57.37858
   71    69 S   HC   _H25    75     1.09680   110.23885   -62.34976
   72    69 S   HC   _H26    76     1.09509   112.30050   179.14339
   73    67 S   CT   _C20    57     1.51867   111.50722  -138.37108
   74    73 S   HC   _H22    58     1.09380   108.80757   116.83583
   75    73 S   HC   _H23    59     1.09204   111.07417  -120.81632
   76    73 S   CT   _C19    60     1.53468   103.06835    -1.14961
   77    76 S   HC   _H20    61     1.09438   111.19244   147.46057
   78    76 S   HC   _H21    62     1.09545   110.90238   -92.72225
   79    66 S   CT   _C18    63     1.54016   107.07124    48.93489
   80    79 S   HC   _H4_    64     1.10471   108.13314    49.78565
  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  12   5   4   3
  22   2   1   1  14   5  13   6   5   8   4   8   5   4  10   4
   3  12  18   5   2   1   1  11   5  14   7  13   5   4   6   2
   1  14  13   6   7   3   2   1   7   5   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    63    39    40    41    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    56    58    63    64    65    39    40    41    52    53    54    55  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    63    39    40    41    52  
   42    43    44    50    39  
   40    41    52    42    47    50    51    58    59    63    64    65    79  
   41    50    58    63    64    65  
   50    58    63    64    65  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    56    58    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    56    57    60    79    58    59    63    52    53    54    55  
   56    57    60    61    62    66    76    79    80    58    59    63    64    65    52    53    54    55  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    66    67    79    58    59    63    69  
   60    61    62    66    58  
   59    63    64    65    69    60    66    67    73    76    77    78    79    80  
   63    64    65    66    76    79    80  
   61    62    66    67    68    73    76    79    80    69    70    71    72  
   62    66    67    79    69  
   66    67    79    69  
   64    65    66    76    79    80  
   65    79  
   79  
   67    68    73    74    75    76    77    78    79    80    69    70    71    72  
   68    73    74    75    76    77    78    79    80    69    70    71    72  
   73    74    75    76    79    69  
   70    71    72    73    76    79    80  
   71    72    79  
   72    79  
   79  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   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    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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   317.000  1.510
   50    52   268.000  1.529
   51    56   549.000  1.340
   51    58   317.000  1.510
   56    57   340.000  1.080
   56    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   317.000  1.522
   66    79   268.000  1.529
   66    69   268.000  1.529
   67    68   570.000  1.229
   67    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    58   268.000  1.529
   58    59   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    70.00000  112.02700
   33    50    52    58.35000  112.70000
   33    39    63    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    70.00000  112.02700
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    56    70.00000  124.00000
   50    51    58    65.00000  117.92700
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    37.50000  110.70000
   51    56    57    35.00000  120.00000
   51    56    60    70.00000  124.00000
   51    58    79    70.00000  112.02700
   51    58    59    35.00000  109.50000
   51    58    63    70.00000  112.02700
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    70.00000  112.02700
   60    56    57    35.00000  117.00000
   60    66    67    63.00000  111.10000
   60    66    79    58.35000  112.70000
   60    66    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    67    68    80.00000  120.40000
   66    67    73    70.00000  116.00000
   66    79    76    58.35000  112.70000
   66    79    80    37.50000  110.70000
   66    79    58    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    63.00000  111.10000
   73    67    68    80.00000  120.40000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    58    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    66    67    63.00000  111.10000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    58    59    37.50000  110.70000
   79    58    63    58.35000  112.70000
   58    51    56    70.00000  124.00000
   58    79    80    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    39    58.35000  112.70000
   63    58    59    37.50000  110.70000
   63    39    40    37.50000  110.70000
   63    39    41    37.50000  110.70000
   65    63    64    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    63    64    37.50000  110.70000
   39    63    65    37.50000  110.70000
   41    39    40    33.00000  107.80000
   69    66    67    63.00000  111.10000
   69    66    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   52    50    51    70.00000  112.02700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.56750  1.0 1.0
   29    33    50    51  -0.07550 -1.0 2.0
   29    33    50    51   0.20000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    51    56   0.09850  1.0 1.0
   33    50    51    56   0.15250 -1.0 2.0
   33    50    51    56  -0.50650  1.0 3.0
   33    50    51    58   0.46850  1.0 1.0
   33    50    51    58   0.08550 -1.0 2.0
   33    50    51    58   0.09800  1.0 3.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.15000  1.0 3.0
   33    50    52    55   0.15000  1.0 3.0
   37    33    50    47   0.34400  1.0 1.0
   37    33    50    47   0.09450 -1.0 2.0
   37    33    50    47   0.11100  1.0 3.0
   37    33    50    51   0.31000  1.0 1.0
   37    33    50    51   0.14700 -1.0 2.0
   37    33    50    51   0.07550  1.0 3.0
   37    33    50    52   0.34400  1.0 1.0
   37    33    50    52   0.09450 -1.0 2.0
   37    33    50    52   0.11100  1.0 3.0
   37    33    39    63   0.34400  1.0 1.0
   37    33    39    63   0.09450 -1.0 2.0
   37    33    39    63   0.11100  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    42    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.34400  1.0 1.0
   42    44    47    50   0.09450 -1.0 2.0
   42    44    47    50   0.11100  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47   -50    33   0.56750  1.0 1.0
   44    47   -50    33  -0.07550 -1.0 2.0
   44    47   -50    33   0.20000  1.0 3.0
   44    47    50    51   0.34400  1.0 1.0
   44    47    50    51   0.09450 -1.0 2.0
   44    47    50    51   0.11100  1.0 3.0
   44    47    50    52   0.56750  1.0 1.0
   44    47    50    52  -0.07550 -1.0 2.0
   44    47    50    52   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    51    56   0.09850  1.0 1.0
   47    50    51    56   0.15250 -1.0 2.0
   47    50    51    56  -0.50650  1.0 3.0
   47    50    51    58   0.46850  1.0 1.0
   47    50    51    58   0.08550 -1.0 2.0
   47    50    51    58   0.09800  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    54   0.15000  1.0 3.0
   47    50    52    55   0.15000  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   49    47    50    33   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42   0.09850  1.0 1.0
   50    33   -37    42   0.15250 -1.0 2.0
   50    33   -37    42  -0.50650  1.0 3.0
   50    33    39    63   0.56750  1.0 1.0
   50    33    39    63  -0.07550 -1.0 2.0
   50    33    39    63   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    51    56    57   7.00000 -1.0 2.0
   50    51    56    60   7.00000 -1.0 2.0
   50    51    58    79   0.46850  1.0 1.0
   50    51    58    79   0.08550 -1.0 2.0
   50    51    58    79   0.09800  1.0 3.0
   50    51    58    59   0.34800  1.0 3.0
   50    51   -58    63   0.46850  1.0 1.0
   50    51   -58    63   0.08550 -1.0 2.0
   50    51   -58    63   0.09800  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    62   0.00000  1.0 1.0
   51    56    60    66   0.09850  1.0 1.0
   51    56    60    66   0.15250 -1.0 2.0
   51    56    60    66  -0.50650  1.0 3.0
   51    58    63    64   0.15000  1.0 3.0
   51    58    63    65   0.15000  1.0 3.0
   51    58    63    39   0.34400  1.0 1.0
   51    58    63    39   0.09450 -1.0 2.0
   51    58    63    39   0.11100  1.0 3.0
   56    51    58    79   0.09850  1.0 1.0
   56    51    58    79   0.15250 -1.0 2.0
   56    51    58    79  -0.50650  1.0 3.0
   56    51    58    59   0.00000  1.0 1.0
   56    51    58    63   0.09850  1.0 1.0
   56    51    58    63   0.15250 -1.0 2.0
   56    51    58    63  -0.50650  1.0 3.0
   56    60    66    67  -0.98800  1.0 1.0
   56    60    66    67   0.48800 -1.0 2.0
   56    60    66    67   0.76800  1.0 3.0
   56    60   -66    79   0.34400  1.0 1.0
   56    60   -66    79   0.09450 -1.0 2.0
   56    60   -66    79   0.11100  1.0 3.0
   56    60    66    69   0.34400  1.0 1.0
   56    60    66    69   0.09450 -1.0 2.0
   56    60    66    69   0.11100  1.0 3.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    62   0.33100  1.0 3.0
   57    56    60    66   0.00000  1.0 1.0
   60    66    67    68   0.30150 -1.0 2.0
   60    66    67    73   0.60050  1.0 1.0
   60    66    67    73   0.05600 -1.0 2.0
   60    66    67    73   0.26150  1.0 3.0
   60    66    79    76   0.56750  1.0 1.0
   60    66    79    76  -0.07550 -1.0 2.0
   60    66    79    76   0.20000  1.0 3.0
   60    66    79    80   0.15000  1.0 3.0
   60    66    79    58   0.56750  1.0 1.0
   60    66    79    58  -0.07550 -1.0 2.0
   60    66    79    58   0.20000  1.0 3.0
   60    66    69    70   0.15000  1.0 3.0
   60    66    69    71   0.15000  1.0 3.0
   60    66    69    72   0.15000  1.0 3.0
   61    60    66    67  -0.11250  1.0 3.0
   61    60    66    79   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67  -0.11250  1.0 3.0
   62    60    66    79   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   66    67    73    74   0.00000  1.0 1.0
   66    67    73    75   0.00000  1.0 1.0
   66    67   -73    76   0.60050  1.0 1.0
   66    67   -73    76   0.05600 -1.0 2.0
   66    67   -73    76   0.26150  1.0 3.0
   66    79   -58    51   0.34400  1.0 1.0
   66    79   -58    51   0.09450 -1.0 2.0
   66    79   -58    51   0.11100  1.0 3.0
   66    79    58    59   0.15000  1.0 3.0
   66    79    58    63   0.56750  1.0 1.0
   66    79    58    63  -0.07550 -1.0 2.0
   66    79    58    63   0.20000  1.0 3.0
   67    66   -79    76  -0.95700  1.0 1.0
   67    66   -79    76  -0.18200 -1.0 2.0
   67    66   -79    76   0.29450  1.0 3.0
   67    66    79    80  -0.11250  1.0 3.0
   67    66    79    58  -0.95700  1.0 1.0
   67    66    79    58  -0.18200 -1.0 2.0
   67    66    79    58   0.29450  1.0 3.0
   67    66    69    70  -0.11250  1.0 3.0
   67    66    69    71  -0.11250  1.0 3.0
   67    66    69    72  -0.11250  1.0 3.0
   67    73    76    77  -0.11250  1.0 3.0
   67    73    76    78  -0.11250  1.0 3.0
   67    73   -76    79  -0.95700  1.0 1.0
   67    73   -76    79  -0.18200 -1.0 2.0
   67    73   -76    79   0.29450  1.0 3.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.00000  1.0 1.0
   68    67    73    76   0.30150 -1.0 2.0
   73    76   -79    66   0.56750  1.0 1.0
   73    76   -79    66  -0.07550 -1.0 2.0
   73    76   -79    66   0.20000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    58   0.56750  1.0 1.0
   73    76    79    58  -0.07550 -1.0 2.0
   73    76    79    58   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    58    51   0.34400  1.0 1.0
   76    79    58    51   0.09450 -1.0 2.0
   76    79    58    51   0.11100  1.0 3.0
   76    79    58    59   0.15000  1.0 3.0
   76    79    58    63   0.56750  1.0 1.0
   76    79    58    63  -0.07550 -1.0 2.0
   76    79    58    63   0.20000  1.0 3.0
   77    76    79    66   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    58   0.15000  1.0 3.0
   78    76    79    66   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    58   0.15000  1.0 3.0
   79    66    67    68   0.30150 -1.0 2.0
   79    66   -67    73   0.60050  1.0 1.0
   79    66   -67    73   0.05600 -1.0 2.0
   79    66   -67    73   0.26150  1.0 3.0
   79    66    69    70   0.15000  1.0 3.0
   79    66    69    71   0.15000  1.0 3.0
   79    66    69    72   0.15000  1.0 3.0
   79    58    63    64   0.15000  1.0 3.0
   79    58    63    65   0.15000  1.0 3.0
   79    58    63    39   0.56750  1.0 1.0
   79    58    63    39  -0.07550 -1.0 2.0
   79    58    63    39   0.20000  1.0 3.0
   80    79    58    51   0.15000  1.0 3.0
   80    79    58    59   0.15000  1.0 3.0
   80    79    58    63   0.15000  1.0 3.0
   58    51    56    57   7.00000 -1.0 2.0
   58    51   -56    60   7.00000 -1.0 2.0
   58    63   -39    33   0.56750  1.0 1.0
   58    63   -39    33  -0.07550 -1.0 2.0
   58    63   -39    33   0.20000  1.0 3.0
   58    63    39    40   0.15000  1.0 3.0
   58    63    39    41   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    39   0.15000  1.0 3.0
   64    63    39    33   0.15000  1.0 3.0
   64    63    39    40   0.15000  1.0 3.0
   64    63    39    41   0.15000  1.0 3.0
   65    63    39    33   0.15000  1.0 3.0
   65    63    39    40   0.15000  1.0 3.0
   65    63    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.34400  1.0 1.0
   39    33   -50    51   0.09450 -1.0 2.0
   39    33   -50    51   0.11100  1.0 3.0
   39    33    50    52   0.56750  1.0 1.0
   39    33    50    52  -0.07550 -1.0 2.0
   39    33    50    52   0.20000  1.0 3.0
   69    66    67    68   0.30150 -1.0 2.0
   69    66    67    73   0.60050  1.0 1.0
   69    66    67    73   0.05600 -1.0 2.0
   69    66    67    73   0.26150  1.0 3.0
   69    66    79    76   0.56750  1.0 1.0
   69    66    79    76  -0.07550 -1.0 2.0
   69    66    79    76   0.20000  1.0 3.0
   69    66    79    80   0.15000  1.0 3.0
   69    66    79    58   0.56750  1.0 1.0
   69    66    79    58  -0.07550 -1.0 2.0
   69    66    79    58   0.20000  1.0 3.0
   52    50    51    56   0.09850  1.0 1.0
   52    50    51    56   0.15250 -1.0 2.0
   52    50    51    56  -0.50650  1.0 3.0
   52    50    51    58   0.46850  1.0 1.0
   52    50    51    58   0.08550 -1.0 2.0
   52    50    51    58   0.09800  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
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   50    58    51    56   1.10000 -1.0 2.0
   60    57    56    51   1.10000 -1.0 2.0
   66    73    67    68  10.50000 -1.0 2.0
END
