* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    156    240     454
    1     0 S   NP   _N1_     1    29.80640    96.12635   -16.85769
    2     1 S   H    _HN1     2     1.02768    63.94262   -69.52890
    3     1 S   H    _H1_     3     1.02973    99.12137    36.54331
    4     1 S   H    _H2_     4     1.02830    49.90390   141.03489
    5     1 S   CT   _CA1     5     1.50149   149.33321  -159.81253
    6     5 S   HC   _HA1     6     1.09578   105.18967    14.40062
    7     5 S   CO3  _C1_     7     1.53878   112.61831  -105.49558
    8     7 S   O2Z  _O11     8     1.26315   115.02015   -35.91881
    9     7 S   O2Z  _O12     9     1.26272   115.00222   143.31538
   10     5 S   CT   _CB1    10     1.53139   107.34717   132.23182
   11    10 S   HC   HB11    11     1.09806   109.32709   -51.20429
   12    10 S   HC   HB12    12     1.09763   110.27021    65.27147
   13    10 S   CT   _CG1    13     1.52879   112.70388  -172.45145
   14    13 S   HC   HG11    14     1.09576   110.14441   -63.13870
   15    13 S   HC   HG12    15     1.09644   110.12853    55.82340
   16    13 S   C    _CD1    16     1.51862   112.70554   176.07549
   17    16 S   O    _OE1    17     1.22647   123.43978   -12.65989
   18    16 S   N    _N2_    18     1.38555   111.25625   168.22416
   19    18 S   H    _HN2    19     1.01534   118.58546     0.93941
   20    18 S   CT1  _CA2    20     1.46095   124.05299  -179.01206
   21    20 S   HC   _HA2    21     1.09717   109.34013   -18.23015
   22    20 S   C    _C2_    22     1.53511   107.60965  -133.79098
   23    22 S   O    _O2_    23     1.22991   122.40832  -144.59553
   24    20 S   CT   _CB2    32     1.53502   111.60377   104.46646
   25    24 S   HC   HB21    33     1.09547   110.42141    51.84620
   26    24 S   HC   HB22    34     1.09528   110.30531   169.77068
   27    22 S   N    _N3_    24     1.38547   113.29228    42.45046
   28    27 S   H    _HN3    25     1.01534   118.92580    -0.01978
   29    24 S   S    _SG2    35     1.82902   112.49310   -72.13800
   30    27 S   CT   _CA3    26     1.45439   123.38943   175.58518
   31    30 S   HC   HA31    27     1.09527   109.17117    25.48593
   32    30 S   HC   HA32    28     1.09493   107.12554   142.46901
   33    29 S   CT   _C20    36     1.82835   100.29203   125.81691
   34    33 S   HC   _H3_    37     1.09420   107.92530    47.30041
   35    33 S   HC   _H4_    38     1.09582   106.86195   162.15279
   36    30 S   CO3  _C3_    29     1.52922   113.18436   -97.95990
   37    36 S   O2Z  _O31    30     1.26396   115.43488   -43.46143
   38    36 S   O2Z  _O32    31     1.26357   114.95579   137.48871
   39    33 S   CT   _C12    39     1.52771   112.72032   -76.60538
   40    39 S   HC   _H35    40     1.09303   112.01963    43.17865
   41    39 S   CO4  _C5_    41     1.51278   113.20046   -78.30275
   42    41 S   O    _O18    42     1.22062   126.53461    39.42867
   43    41 S   OS   _O20    43     1.36582   109.64779  -142.00448
   44    43 S   CT   _C14    44     1.43659   110.02800    -1.74641
   45    44 S   HC   _H37    45     1.09479   107.49852   -93.67076
   46    39 S   CT   _C13    46     1.53715   112.42878   168.03412
   47    46 S   HC   _H36    47     1.09775   107.10974    42.00999
   48    44 S   C3T  _C15    63     1.49266   108.76084   143.92753
   49    48 S   HC   _H38    64     1.08206   113.02604   -79.67406
   50    46 S   CT   _C16    48     1.55002   114.25141   -78.22814
   51    50 S   HC   _H39    49     1.09736   107.53798    67.80651
   52    78 S   O3T  _O21    65     1.43905   115.70702  -162.63038
   53    50 S   CT   _C8_    50     1.54992   116.75565  -169.45534
   54    53 S   HC   _H28    51     1.09884   108.00398  -177.57045
   55    53 S   HC   _H29    52     1.09200   106.96949    71.54688
   56    50 S   OS   _O23    76     1.45363   107.82914   -49.17714
   57    53 S   CM   _C4_    53     1.51552   120.66100   -54.42156
   58    56 S   CO4  _C7_    77     1.36288   117.63862   149.69158
   59    58 S   O    _O19    78     1.22334   126.29499    -1.49606
   60    57 S   CT   _C11    54     1.52512   117.50454   163.71677
   61    60 S   HC   _H34    55     1.09932   110.02508  -175.38956
   62    57 S   CM   _C6_    73     1.34472   123.35456   -20.44861
   63    62 S   HC   _H26    74     1.08582   121.28781  -178.08133
   64    62 S   HC   _H27    75     1.08331   122.53077    -0.12820
   65    58 S   CT   _C18    79     1.49834   109.89816  -179.88131
   66    65 S   HC   _H40    80     1.09362   110.35774   -36.77782
   67    65 S   HC   _H41    81     1.09366   109.20997  -154.98953
   68    65 S   HC   _H42    82     1.09138   109.66826    84.87565
   69    60 S   CT   _C9_    56     1.54470   118.28802   -53.06215
   70    69 S   HC   _H30    57     1.09987   106.20063  -177.88789
   71    69 S   HC   _H31    58     1.09645   110.11095    70.17559
   72    60 S   OS   _O24    70     1.44110   107.92504    66.78029
   73    69 S   CT   _C10    59     1.53419   116.88348   -58.33126
   74    73 S   HC   _H32    60     1.09747   108.45900  -151.12760
   75    73 S   HC   _H33    61     1.09683   109.99321   -35.62078
   76    72 S   OH   _O22    71     1.45680   106.29003    84.36565
   77    76 S   HO   _H48    72     0.97286    95.93645  -102.20386
   78    73 S   C3T  _C17    62     1.50626   112.89657    89.69262
   79    78 S   CT   _C19    66     1.50442   117.23431    64.55793
   80    79 S   HC   _H43    67     1.09501   112.00666   158.55706
   81    79 S   HC   _H44    68     1.09516   110.45487    39.39515
   82    79 S   HC   _H45    69     1.09286   111.40087   -80.68781
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  12   5   4   7  11   5   4  14   7   4   1   1
   3   2   1   1   9   6   5   3   7   3   2   1   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    78    48    49    52  
   45    46    47    50    51    53    73    78    48    49    52    79    56  
   46    47    50    78    48    49    52  
   47    50    51    53    54    55    57    78    48    49    52    56    58  
   50    51    53    48    56  
   49    52    79    80    81    82    50    69    73    74    75    78  
   52    79    73    78  
   51    53    54    55    57    60    62    56    58    59    65  
   53    54    55    57    56    58  
   79    80    81    82    69    73    74    75    78  
   54    55    57    60    61    69    72    62    63    64    56    58  
   55    57    60    62    56  
   57    60    62    56  
   58    59    65    66    67    68    57  
   60    61    69    70    71    73    72    76    62    63    64  
   59    65    66    67    68  
   65    66    67    68  
   61    69    70    71    73    74    75    78    72    76    77    62    63    64  
   69    70    71    73    72    76    62  
   63    64    69    72  
   64  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    73    74    75    78    79    72    76  
   71    73    74    75    78    72  
   73    74    75    78    72  
   76    77    73  
   74    75    78    79    80    81    82  
   75    78    79  
   78    79  
   77  
    0  
   79    80    81    82  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   317.000  1.510
   57    62   549.000  1.340
   60    61   340.000  1.090
   60    69   268.000  1.529
   60    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   275.000  1.510
   78    48   260.000  1.509
   78    52   335.000  1.432
   78    79   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    76   295.000  1.451
   76    77   553.000  0.945
   62    63   340.000  1.080
   62    64   340.000  1.080
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    78    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    65.00000  117.92700
   53    57    62    70.00000  124.00000
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  109.50000
   57    60    69    70.00000  112.02700
   57    60    72    85.00000  110.90400
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   60    69    70    37.50000  110.70000
   60    69    71    37.50000  110.70000
   60    69    73    58.35000  112.70000
   60    72    76   125.00000  106.88800
   69    60    61    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    78    70.00000  112.37300
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    78    48    60.00000  120.94000
   73    78    52    80.00000  116.47100
   73    78    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    45.00000  109.38400
   78    73    75    45.00000  109.38400
   78    48    49    37.50000  117.20000
   78    48    52    15.00000   60.43100
   78    52    48    15.00000   59.14900
   78    79    80    45.00000  109.38400
   78    79    81    45.00000  109.38400
   78    79    82    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    78    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   79    78    48    60.00000  120.94000
   79    78    52    80.00000  116.47100
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    60    61    35.00000  109.50000
   72    60    69    50.00000  109.50000
   72    76    77    90.00000  100.86400
   62    57    60    70.00000  124.00000
   64    62    63    35.00000  117.00000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    65    81.00000  111.40000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   65    58    59    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    78  -0.26800  1.0 1.0
   43    44    48    78   0.69150 -1.0 2.0
   43    44    48    78  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    78   0.06250  1.0 1.0
   44    48   -52    78  -0.01100 -1.0 2.0
   44    48   -52    78   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    78   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    78   0.07850  1.0 1.0
   46    44    48    78  -0.03950 -1.0 2.0
   46    44    48    78   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.46850  1.0 1.0
   50    53    57    60   0.08550 -1.0 2.0
   50    53    57    60   0.09800  1.0 3.0
   50    53    57    62   0.09850  1.0 1.0
   50    53    57    62   0.15250 -1.0 2.0
   50    53    57    62  -0.50650  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    65   1.63150  1.0 1.0
   50    56    58    65   2.92000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   0.34800  1.0 3.0
   53    57    60    69   0.46850  1.0 1.0
   53    57    60    69   0.08550 -1.0 2.0
   53    57    60    69   0.09800  1.0 3.0
   53    57    60    72   0.09700  1.0 1.0
   53    57    60    72   0.15600 -1.0 2.0
   53    57    60    72  -0.50800  1.0 3.0
   53    57    62    63   7.00000 -1.0 2.0
   53    57    62    64   7.00000 -1.0 2.0
   54    53    57    60   0.34800  1.0 3.0
   54    53    57    62   0.00000  1.0 1.0
   55    53    57    60   0.34800  1.0 3.0
   55    53    57    62   0.00000  1.0 1.0
   57    60    69    70   0.15000  1.0 3.0
   57    60    69    71   0.15000  1.0 3.0
   57    60    69    73   0.34400  1.0 1.0
   57    60    69    73   0.09450 -1.0 2.0
   57    60    69    73   0.11100  1.0 3.0
   57    60    72    76   0.37500  1.0 3.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   60    69    73    74   0.15000  1.0 3.0
   60    69    73    75   0.15000  1.0 3.0
   60    69    73    78   0.47050  1.0 1.0
   60    69    73    78   0.03900 -1.0 2.0
   60    69    73    78   0.20100  1.0 3.0
   60    72    76    77  -2.50000 -1.0 2.0
   61    60    69    70   0.15000  1.0 3.0
   61    60    69    71   0.15000  1.0 3.0
   61    60    69    73   0.15000  1.0 3.0
   61    60    72    76   0.37500  1.0 3.0
   69    60    72    76   0.37500  1.0 3.0
   69    73    78    48   0.07850  1.0 1.0
   69    73    78    48  -0.03950 -1.0 2.0
   69    73    78    48   0.67350  1.0 3.0
   69    73    78    52   0.02550  1.0 1.0
   69    73    78    52  -0.02600 -1.0 2.0
   69    73    78    52   1.20400  1.0 3.0
   69    73    78    79   0.56750  1.0 1.0
   69    73    78    79  -0.07550 -1.0 2.0
   69    73    78    79   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    78   0.15000  1.0 3.0
   73    78    48    44   0.56750  1.0 1.0
   73    78    48    44  -0.07550 -1.0 2.0
   73    78    48    44   0.20000  1.0 3.0
   73    78    48    49   0.15000  1.0 3.0
   73    78   -48    52   0.02550  1.0 1.0
   73    78   -48    52  -0.02600 -1.0 2.0
   73    78   -48    52   1.20400  1.0 3.0
   73    78   -52    48   0.06250  1.0 1.0
   73    78   -52    48  -0.01100 -1.0 2.0
   73    78   -52    48   0.28050  1.0 3.0
   73    78    79    80   0.15000  1.0 3.0
   73    78    79    81   0.15000  1.0 3.0
   73    78    79    82   0.15000  1.0 3.0
   74    73    78    48   0.15000  1.0 3.0
   74    73    78    52   0.23400  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   75    73    78    48   0.15000  1.0 3.0
   75    73    78    52   0.23400  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    78    79    80   0.15000  1.0 3.0
   48    78    79    81   0.15000  1.0 3.0
   48    78    79    82   0.15000  1.0 3.0
   49    48   -52    78   0.36800  1.0 3.0
   52    78   -48    44   0.02550  1.0 1.0
   52    78   -48    44  -0.02600 -1.0 2.0
   52    78   -48    44   1.20400  1.0 3.0
   52    78   -48    49   0.23400  1.0 3.0
   52    78    79    80   0.23400  1.0 3.0
   52    78    79    81   0.23400  1.0 3.0
   52    78    79    82   0.23400  1.0 3.0
   79    78    48    44   0.56750  1.0 1.0
   79    78    48    44  -0.07550 -1.0 2.0
   79    78    48    44   0.20000  1.0 3.0
   79    78    48    49   0.15000  1.0 3.0
   79    78   -48    52   0.02550  1.0 1.0
   79    78   -48    52  -0.02600 -1.0 2.0
   79    78   -48    52   1.20400  1.0 3.0
   79    78   -52    48   0.06250  1.0 1.0
   79    78   -52    48  -0.01100 -1.0 2.0
   79    78   -52    48   0.28050  1.0 3.0
   72    60    69    70   0.23400  1.0 3.0
   72    60    69    71   0.23400  1.0 3.0
   72    60    69    73   0.62750  1.0 1.0
   72    60    69    73  -0.30950 -1.0 2.0
   72    60    69    73   0.27300  1.0 3.0
   62    57    60    61   0.00000  1.0 1.0
   62    57    60    69   0.09850  1.0 1.0
   62    57    60    69   0.15250 -1.0 2.0
   62    57    60    69  -0.50650  1.0 3.0
   62    57    60    72   0.39000  1.0 1.0
   62    57    60    72  -0.05800 -1.0 2.0
   62    57    60    72  -0.55150  1.0 3.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    65    66   0.00000  1.0 1.0
   56    58    65    67   0.00000  1.0 1.0
   56    58    65    68   0.00000  1.0 1.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    67   0.00000  1.0 1.0
   59    58    65    68   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    60    57    62   1.10000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
   56    65    58    59  10.50000 -1.0 2.0
END
