* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    169    261     501
    1     0 S   NP   _N1_     1    28.56668    96.14428   -21.71242
    2     1 S   H    _HN1     2     1.02832    39.33676   165.02871
    3     1 S   H    _H1_     3     1.02775    91.19065   -77.57688
    4     1 S   H    _H2_     4     1.02960    79.49051    30.85221
    5     1 S   CT   _CA1     5     1.50128   148.59739   142.91750
    6     5 S   HC   _HA1     6     1.09578   105.21751    73.92710
    7     5 S   CO3  _C1_     7     1.53783   112.35761   -46.22833
    8     7 S   O2Z  _O11     8     1.26361   114.99465   -44.14767
    9     7 S   O2Z  _O12     9     1.26240   114.91521   134.92743
   10     5 S   CT   _CB1    10     1.53089   107.40631  -168.21782
   11    10 S   HC   HB11    11     1.09825   109.28815   -51.01831
   12    10 S   HC   HB12    12     1.09818   110.43765    65.51911
   13    10 S   CT   _CG1    13     1.52999   112.68748  -172.13788
   14    13 S   HC   HG11    14     1.09605   110.41855   -64.40288
   15    13 S   HC   HG12    15     1.09654   109.99831    54.81384
   16    13 S   C    _CD1    16     1.51827   112.32145   175.11950
   17    16 S   O    _OE1    17     1.22723   123.28710    -2.35850
   18    16 S   N    _N2_    18     1.38598   111.61768   177.89708
   19    18 S   H    _HN2    19     1.01594   118.97103     0.61038
   20    18 S   CT1  _CA2    20     1.46201   123.45658  -179.56479
   21    20 S   HC   _HA2    21     1.09726   109.47247    -7.52175
   22    20 S   C    _C2_    22     1.53439   108.46062  -123.27753
   23    22 S   O    _O2_    23     1.23030   122.16275  -146.00057
   24    20 S   CT   _CB2    32     1.53390   111.25717   114.57085
   25    24 S   HC   HB21    33     1.09494   109.44737    56.16679
   26    24 S   HC   HB22    34     1.09501   110.30734   174.76906
   27    22 S   N    _N3_    24     1.38479   113.46083    41.35539
   28    27 S   H    _HN3    25     1.01519   118.92572    -0.76949
   29    24 S   S    _SG2    35     1.83014   111.46509   -65.97852
   30    27 S   CT   _CA3    26     1.45459   123.55054   175.21771
   31    30 S   HC   HA31    27     1.09514   109.37163    21.78768
   32    30 S   HC   HA32    28     1.09499   107.09028   138.80032
   33    29 S   CT   _C13    36     1.86687   101.28128   156.07011
   34    30 S   CO3  _C3_    29     1.52911   113.01196  -101.78937
   35    34 S   O2Z  _O31    30     1.26409   115.35958   -45.76976
   36    34 S   O2Z  _O32    31     1.26348   115.01554   135.14504
   37    33 S   CO4  _C11    37     1.53785   107.54707   -66.40946
   38    37 S   O    _O24    38     1.22947   123.23634   -29.03341
   39    33 S   CT   _C12    51     1.55063   111.71947    56.51083
   40    39 S   HC   _H30    52     1.09865   109.41872   -59.06815
   41    33 S   CT   _C14    87     1.53992   105.81538   179.24697
   42    41 S   HC   _H31    88     1.09568   112.31148   -59.74862
   43    41 S   HC   _H32    89     1.09608   111.38052   179.86152
   44    41 S   HC   _H33    90     1.09741   111.60553    61.44427
   45    37 S   CA   _C9_    39     1.48349   118.12762   154.54832
   46    39 S   CT   _C16    53     1.54819   114.33860    62.47739
   47    46 S   HC   _H37    54     1.09728   110.36429    79.63821
   48    46 S   HC   _H38    55     1.09469   110.86316   -38.05979
   49    45 S   CA   _C7_    40     1.40125   119.28900   175.22299
   50    49 S   HA   _H29    41     1.08733   121.18629     1.66648
   51    46 S   CT   _C18    56     1.53580   112.20357  -158.12238
   52    51 S   HC   _H41    57     1.09531   110.50405   -57.96486
   53    51 S   HC   _H42    58     1.09697   109.30296    59.56831
   54    49 S   CA   _C5_    42     1.39569   120.20555  -177.79380
   55    54 S   HA   _H27    43     1.08651   119.93143   179.86878
   56    51 S   CT   _C20    59     1.53024   111.21307  -179.55987
   57    56 S   HC   _H45    60     1.09680   109.59113   -58.27486
   58    56 S   HC   _H46    61     1.09678   109.54071    59.03930
   59    54 S   CA   _C4_    44     1.39300   120.08816     0.20558
   60    59 S   HA   _H26    45     1.08643   120.00416   179.82086
   61    56 S   CT   _C22    62     1.52955   111.32179  -179.62051
   62    61 S   HC   _H49    63     1.09681   109.56980   -58.69002
   63    61 S   HC   _H50    64     1.09681   109.56420    58.59869
   64    59 S   CA   _C6_    46     1.39446   120.00296    -0.32746
   65    64 S   HA   _H28    47     1.08717   118.91737  -179.48490
   66    61 S   CT   _C24    65     1.52954   111.32454   179.94766
   67    66 S   HC   _H53    66     1.09681   109.56620   -58.63581
   68    66 S   HC   _H54    67     1.09681   109.56754    58.65128
   69    45 S   CA   _C8_    48     1.39511   121.17202    -2.91994
   70    66 S   CT   _C25    68     1.52958   111.32839  -179.97202
   71    70 S   HC   _H55    69     1.09681   109.56639    58.62720
   72    70 S   HC   _H56    70     1.09681   109.56668   -58.66015
   73    69 S   CO4  _C10    49     1.47626   120.53874    -3.10892
   74    73 S   O    _O23    50     1.22626   119.44417   161.15087
   75    70 S   CT   _C23    71     1.52959   111.32927   180.00000
   76    75 S   HC   _H51    72     1.09681   109.56657    58.64544
   77    75 S   HC   _H52    73     1.09681   109.56606   -58.64125
   78    75 S   CT   _C21    74     1.52960   111.33107  -179.98022
   79    78 S   HC   _H47    75     1.09682   109.56706    58.63296
   80    78 S   HC   _H48    76     1.09682   109.56595   -58.65362
   81    78 S   CT   _C19    77     1.52957   111.33207   179.97202
   82    81 S   HC   _H43    78     1.09685   109.57501   -58.64323
   83    81 S   HC   _H44    79     1.09684   109.57608    58.62678
   84    81 S   CT   _C17    80     1.52847   111.32997   179.97202
   85    84 S   HC   _H39    81     1.09623   109.86641    58.85991
   86    84 S   HC   _H40    82     1.09623   109.86621   -58.86907
   87    84 S   CT   _C15    83     1.52037   111.49365   180.00000
   88    87 S   HC   _H34    84     1.09469   111.00139    60.25864
   89    87 S   HC   _H35    85     1.09449   110.26153   179.98022
   90    87 S   HC   _H36    86     1.09469   111.00072   -60.26090
  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
  17   2   1   1  15   5  17   8   6   2   1   1  10  12   6   5
   8   4  10   5   4   6   3   9   5   4   5   3   9   5   4   4
   2   9   5   4   2   9   5   4   1   1   9   5   4   9   5   4
   9   5   4   6   5   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    73    39    40    46    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    49    69    73    74    39    40    46    47    48    51    41    42    43    44  
   35    36  
   36  
    0  
   38    45    49    50    54    64    69    73    39    40    46    41    42    43    44  
   45    49    69    39    41  
   40    46    47    48    51    52    53    56    41    42    43    44    45    64    69    73    74  
   46    47    48    51    41    69    73    74  
   42    43    44    45    46    73  
   43    44  
   44  
    0  
   49    50    54    55    59    64    65    69    73    74  
   47    48    51    52    53    56    57    58    61    69    73    74  
   48    51    52    53    56    73  
   51    52    53    56    73  
   50    54    55    59    60    64    69    73  
   54    55    59    69  
   52    53    56    57    58    61    62    63    66    73  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    69  
   59    60    64  
   57    58    61    62    63    66    67    68    70  
   58    61    62    63    66  
   61    62    63    66  
   60    64    65    69    73  
   64    65    69  
   62    63    66    67    68    70    71    72    75  
   63    66    67    68    70  
   66    67    68    70  
   65    69    73    74  
   69    73  
   67    68    70    71    72    75    76    77    78  
   68    70    71    72    75  
   70    71    72    75  
   73    74  
   71    72    75    76    77    78    79    80    81  
   72    75    76    77    78  
   75    76    77    78  
   74  
    0  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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  1.522
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    45   310.000  1.470
   45    49   469.000  1.400
   45    69   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    73   310.000  1.470
   73    74   570.000  1.229
   73    39   317.000  1.522
   39    40   340.000  1.090
   39    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    65.00000  115.47100
   33    39    73    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    46    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    49    60.00000  119.52600
   37    45    69    60.00000  119.52600
   45    37    38    75.00000  123.78400
   45    49    50    35.00000  120.00000
   45    49    54    63.00000  120.00000
   45    69    64    63.00000  120.00000
   45    69    73    60.00000  119.52600
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    64    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    69    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    69    73    60.00000  119.52600
   69    45    49    63.00000  120.00000
   69    64    65    35.00000  120.00000
   69    73    74    75.00000  123.78400
   69    73    39    65.00000  115.47100
   73    39    40    35.00000  109.50000
   73    39    46    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    73    74    80.00000  120.40000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    51    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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   0.01700  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    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.30150 -1.0 2.0
   29    33    37    45   0.65300  1.0 1.0
   29    33    37    45  -0.03850 -1.0 2.0
   29    33    37    45   0.33900  1.0 3.0
   29    33    39    73   0.56750  1.0 1.0
   29    33    39    73  -0.07550 -1.0 2.0
   29    33    39    73   0.20000  1.0 3.0
   29    33    39    40   0.15000  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
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    49   2.26350  1.0 1.0
   33    37    45    49   0.76750 -1.0 2.0
   33    37    45    49   0.22500  1.0 3.0
   33    37    45    69   2.26350  1.0 1.0
   33    37    45    69   0.76750 -1.0 2.0
   33    37    45    69   0.22500  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    51   0.56750  1.0 1.0
   33    39    46    51  -0.07550 -1.0 2.0
   33    39    46    51   0.20000  1.0 3.0
   37    33    39    73   0.11950  1.0 1.0
   37    33    39    73   0.20300 -1.0 2.0
   37    33    39    73  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    46  -0.95700  1.0 1.0
   37    33    39    46  -0.18200 -1.0 2.0
   37    33    39    46   0.29450  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    43  -0.11250  1.0 3.0
   37    33    41    44  -0.11250  1.0 3.0
   37    45    49    50   3.62500 -1.0 2.0
   37    45    49    54   3.62500 -1.0 2.0
   37    45    69    64   3.62500 -1.0 2.0
   37    45   -69    73   3.62500 -1.0 2.0
   38    37    45    49   1.05000 -1.0 2.0
   38    37    45    69   1.05000 -1.0 2.0
   45    49    54    55   3.62500 -1.0 2.0
   45    49    54    59   3.62500 -1.0 2.0
   45    69    73    74   1.05000 -1.0 2.0
   45    69    73    39   2.26350  1.0 1.0
   45    69    73    39   0.76750 -1.0 2.0
   45    69    73    39   0.22500  1.0 3.0
   49    45    69    64   3.62500 -1.0 2.0
   49    45    69    73   3.62500 -1.0 2.0
   49    54    59    60   3.62500 -1.0 2.0
   49    54   -59    64   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   54    59    64    65   3.62500 -1.0 2.0
   54    59    64    69   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    64   -69    45   3.62500 -1.0 2.0
   59    64    69    73   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    69   3.62500 -1.0 2.0
   64    69    73    74   1.05000 -1.0 2.0
   64    69    73    39   2.26350  1.0 1.0
   64    69    73    39   0.76750 -1.0 2.0
   64    69    73    39   0.22500  1.0 3.0
   65    64    69    45   3.62500 -1.0 2.0
   65    64    69    73   3.62500 -1.0 2.0
   69    45    49    50   3.62500 -1.0 2.0
   69    45   -49    54   3.62500 -1.0 2.0
   69    73   -39    33   0.05850 -1.0 2.0
   69    73   -39    33   0.17250  1.0 3.0
   69    73    39    40   0.00000  1.0 1.0
   69    73    39    46   0.05850 -1.0 2.0
   69    73    39    46   0.17250  1.0 3.0
   73    39    46    47  -0.11250  1.0 3.0
   73    39    46    48  -0.11250  1.0 3.0
   73    39    46    51  -0.95700  1.0 1.0
   73    39    46    51  -0.18200 -1.0 2.0
   73    39    46    51   0.29450  1.0 3.0
   74    73    39    33   0.30150 -1.0 2.0
   74    73    39    40   0.00000  1.0 1.0
   74    73    39    46   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    45   0.05850 -1.0 2.0
   39    33   -37    45   0.17250  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    53   0.15000  1.0 3.0
   39    46    51    56   0.56750  1.0 1.0
   39    46    51    56  -0.07550 -1.0 2.0
   39    46    51    56   0.20000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    51   0.15000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    58   0.15000  1.0 3.0
   46    51    56    61   0.56750  1.0 1.0
   46    51    56    61  -0.07550 -1.0 2.0
   46    51    56    61   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    66   0.56750  1.0 1.0
   51    56    61    66  -0.07550 -1.0 2.0
   51    56    61    66   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    66    67   0.15000  1.0 3.0
   56    61    66    68   0.15000  1.0 3.0
   56    61    66    70   0.56750  1.0 1.0
   56    61    66    70  -0.07550 -1.0 2.0
   56    61    66    70   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    66   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    66   0.15000  1.0 3.0
   61    66    70    71   0.15000  1.0 3.0
   61    66    70    72   0.15000  1.0 3.0
   61    66    70    75   0.56750  1.0 1.0
   61    66    70    75  -0.07550 -1.0 2.0
   61    66    70    75   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    70   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    70   0.15000  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.56750  1.0 1.0
   66    70    75    78  -0.07550 -1.0 2.0
   66    70    75    78   0.20000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    72   0.15000  1.0 3.0
   68    66    70    75   0.15000  1.0 3.0
   70    75    78    79   0.15000  1.0 3.0
   70    75    78    80   0.15000  1.0 3.0
   70    75    78    81   0.56750  1.0 1.0
   70    75    78    81  -0.07550 -1.0 2.0
   70    75    78    81   0.20000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78   0.15000  1.0 3.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84   0.56750  1.0 1.0
   75    78    81    84  -0.07550 -1.0 2.0
   75    78    81    84   0.20000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87   0.56750  1.0 1.0
   78    81    84    87  -0.07550 -1.0 2.0
   78    81    84    87   0.20000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.15000  1.0 3.0
   81    84    87    89   0.15000  1.0 3.0
   81    84    87    90   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    45   0.05850 -1.0 2.0
   41    33    37    45   0.17250  1.0 3.0
   41    33    39    73  -0.95700  1.0 1.0
   41    33    39    73  -0.18200 -1.0 2.0
   41    33    39    73   0.29450  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    46   0.56750  1.0 1.0
   41    33    39    46  -0.07550 -1.0 2.0
   41    33    39    46   0.20000  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    45    37    38  10.50000 -1.0 2.0
   49    69    45    37   4.00000 -1.0 2.0
   54    50    49    45   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   64    60    59    54   1.10000 -1.0 2.0
   69    65    64    59   1.10000 -1.0 2.0
   64    73    69    45   4.00000 -1.0 2.0
   69    39    73    74  10.50000 -1.0 2.0
END
