* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    254     489
    1     0 S   NP   _N1_     1    28.92412    97.57033   -21.13401
    2     1 S   H    _HN1     2     1.02788    90.90189   -83.80055
    3     1 S   H    _H1_     3     1.02947    69.73480    25.39606
    4     1 S   H    _H2_     4     1.02835    48.93079   163.07937
    5     1 S   CT   _CA1     5     1.50143   154.56961   120.65115
    6     5 S   HC   _HA1     6     1.09583   105.18771    92.48485
    7     5 S   CO3  _C1_     7     1.53822   112.04706   -27.55815
    8     7 S   O2Z  _O11     8     1.26357   115.06930   -51.40540
    9     7 S   O2Z  _O12     9     1.26218   114.86601   127.31353
   10     5 S   CT   _CB1    10     1.53073   107.34338  -149.84496
   11    10 S   HC   HB11    11     1.09832   109.38881   -50.49849
   12    10 S   HC   HB12    12     1.09810   110.48098    66.08095
   13    10 S   CT   _CG1    13     1.52995   112.58871  -171.48544
   14    13 S   HC   HG11    14     1.09512   110.36949   -63.67704
   15    13 S   HC   HG12    15     1.09653   109.93405    55.46974
   16    13 S   C    _CD1    16     1.51861   112.14781   175.89974
   17    16 S   O    _OE1    17     1.22763   123.17992     2.94557
   18    16 S   N    _N2_    18     1.38627   111.86305  -176.98247
   19    18 S   H    _HN2    19     1.01640   119.09568     1.06826
   20    18 S   CT1  _CA2    20     1.46326   123.36687   178.84090
   21    20 S   HC   _HA2    21     1.09731   109.32550     1.44428
   22    20 S   C    _C2_    22     1.53494   108.95888  -114.17700
   23    22 S   O    _O2_    23     1.23074   122.21961  -150.20601
   24    20 S   CT   _CB2    32     1.53367   111.35529   123.32953
   25    24 S   HC   HB21    33     1.09245   109.27044    59.01629
   26    24 S   HC   HB22    34     1.09521   110.63804   176.88693
   27    22 S   N    _N3_    24     1.38325   113.77189    37.43150
   28    27 S   H    _HN3    25     1.01591   119.52745    -3.82090
   29    24 S   S    _SG2    35     1.83106   110.97265   -64.22320
   30    27 S   CT   _CA3    26     1.45272   123.15925   177.02343
   31    30 S   HC   HA31    27     1.09551   107.57524   -63.14858
   32    30 S   HC   HA32    28     1.09560   107.89722    53.25670
   33    29 S   CT   _C13    36     1.86751   101.66066   140.90977
   34    30 S   CO3  _C3_    29     1.52941   114.13776   175.25674
   35    34 S   O2Z  _O31    30     1.26369   116.08881     1.09878
   36    34 S   O2Z  _O32    31     1.26435   114.40272  -178.88162
   37    33 S   CO4  _C11    37     1.52510   105.77381    64.49117
   38    37 S   O    _O24    38     1.23134   122.27556    57.93253
   39    33 S   CM   _C12    51     1.52706   110.68932   -61.26088
   40    33 S   CT   _C14    86     1.54131   107.15108   177.50150
   41    40 S   HC   _H30    87     1.09561   112.73996    57.69619
   42    40 S   HC   _H31    88     1.09725   112.24195   -63.03753
   43    40 S   HC   _H32    89     1.09725   110.58062   178.24665
   44    37 S   CA   _C9_    39     1.47074   118.71451  -122.22359
   45    39 S   CT   _C16    52     1.54264   115.51346   -60.55362
   46    45 S   HC   _H36    53     1.09510   110.84817    20.68888
   47    45 S   HC   _H37    54     1.09829   109.40646   135.02215
   48    44 S   CA   _C7_    40     1.40848   117.80540  -179.79158
   49    48 S   HA   _H29    41     1.08747   121.09491     0.19180
   50    45 S   CT   _C18    55     1.53538   114.10148  -102.05027
   51    50 S   HC   _H40    56     1.09531   110.38364    59.10196
   52    50 S   HC   _H41    57     1.09588   110.52933   -58.74060
   53    48 S   CA   _C5_    42     1.39020   120.63559  -179.75772
   54    53 S   HA   _H27    43     1.08561   120.29603   180.00000
   55    50 S   CT   _C20    58     1.53096   110.52980  -179.72234
   56    55 S   HC   _H44    59     1.09687   109.58242   -58.20244
   57    55 S   HC   _H45    60     1.09646   109.34552    58.99564
   58    53 S   CA   _C4_    44     1.38532   119.33748     0.00000
   59    58 S   HA   _H26    45     1.08607   120.23708   180.00000
   60    55 S   CT   _C22    61     1.52862   111.64301  -179.72948
   61    60 S   HC   _H48    62     1.09672   109.60385    58.86212
   62    60 S   HC   _H49    63     1.09673   109.60230   -58.51615
   63    58 S   CA   _C6_    46     1.39839   119.85174     0.00000
   64    63 S   HA   _H28    47     1.08887   116.66757  -180.00000
   65    60 S   CT   _C24    64     1.52970   111.12891  -179.81977
   66    65 S   HC   _H52    65     1.09684   109.56730    58.52506
   67    65 S   HC   _H53    66     1.09682   109.55479   -58.72913
   68    44 S   CA   _C8_    48     1.39856   120.68006     0.51282
   69    65 S   CT   _C25    67     1.52925   111.38390   179.90309
   70    69 S   HC   _H54    68     1.09679   109.57503    58.66014
   71    69 S   HC   _H55    69     1.09679   109.57489   -58.64810
   72    68 S   CMA  _C10    49     1.51619   123.71481    -0.21489
   73    72 S   OM   _O23    50     1.27026   118.57947   178.77395
   74    69 S   CT   _C23    70     1.52960   111.28320  -180.00000
   75    74 S   HC   _H50    71     1.09682   109.56535   -58.63871
   76    74 S   HC   _H51    72     1.09683   109.56530    58.63745
   77    74 S   CT   _C21    73     1.52955   111.33436   180.00000
   78    77 S   HC   _H46    74     1.09682   109.56669    58.64236
   79    77 S   HC   _H47    75     1.09682   109.56691   -58.64527
   80    77 S   CT   _C19    76     1.52957   111.32936   180.00000
   81    80 S   HC   _H42    77     1.09685   109.57574    58.63757
   82    80 S   HC   _H43    78     1.09685   109.57571   -58.63179
   83    80 S   CT   _C17    79     1.52846   111.32914  -180.00000
   84    83 S   HC   _H38    80     1.09622   109.86593    58.86399
   85    83 S   HC   _H39    81     1.09622   109.86598   -58.86467
   86    83 S   CT   _C15    82     1.52037   111.49450   180.00000
   87    86 S   HC   _H33    83     1.09469   111.00098    60.26021
   88    86 S   HC   _H34    84     1.09469   111.00134   -60.25958
   89    86 S   HC   _H35    85     1.09449   110.26125  -180.00000
  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  11   5   4   3
  16   2   1   1  14   5  16   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    72    39    45    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    68    72    73    39    45    46    47    50    40    41    42    43  
   35    36  
   36  
    0  
   38    44    48    49    53    63    68    72    39    45    40    41    42    43  
   44    48    68    39    40  
   45    46    47    50    51    52    55    40    41    42    43    44    63    68    72    73  
   41    42    43    44    45    72  
   42    43  
   43  
    0  
   48    49    53    54    58    63    64    68    72    73  
   46    47    50    51    52    55    56    57    60    68    72    73  
   47    50    51    52    55    72  
   50    51    52    55    72  
   49    53    54    58    59    63    68    72  
   53    54    58    68  
   51    52    55    56    57    60    61    62    65    72  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    63    64    68  
   58    59    63  
   56    57    60    61    62    65    66    67    69  
   57    60    61    62    65  
   60    61    62    65  
   59    63    64    68    72  
   63    64    68  
   61    62    65    66    67    69    70    71    74  
   62    65    66    67    69  
   65    66    67    69  
   64    68    72    73  
   68    72  
   66    67    69    70    71    74    75    76    77  
   67    69    70    71    74  
   69    70    71    74  
   72    73  
   70    71    74    75    76    77    78    79    80  
   71    74    75    76    77  
   74    75    76    77  
   73  
    0  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   73   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.510
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    48   469.000  1.400
   44    68   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    72   320.000  1.460
   72    73   745.000  1.250
   72    39   465.000  1.376
   39    45   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  112.20000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    72    70.00000  124.00000
   33    39    45    65.00000  117.92700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    48    60.00000  119.52600
   37    44    68    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    48    49    35.00000  120.00000
   44    48    53    63.00000  120.00000
   44    68    63    63.00000  120.00000
   44    68    72    60.00000  120.93500
   48    53    54    35.00000  120.00000
   48    53    58    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    68    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    68    72    60.00000  120.93500
   68    44    48    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    72    73    85.00000  114.86500
   68    72    39    60.00000  123.20500
   72    39    45    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    72    73    65.00000  137.10300
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    50    70.00000  112.02700
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    55    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    74    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   40    33    37    63.00000  111.10000
   40    33    39    70.00000  112.02700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    72   0.42700  1.0 1.0
   29    33    39    72  -0.70350 -1.0 2.0
   29    33    39    72  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    48   2.26350  1.0 1.0
   33    37    44    48   0.76750 -1.0 2.0
   33    37    44    48   0.22500  1.0 3.0
   33    37    44    68   2.26350  1.0 1.0
   33    37    44    68   0.76750 -1.0 2.0
   33    37    44    68   0.22500  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.34800  1.0 3.0
   33    39    45    50   0.46850  1.0 1.0
   33    39    45    50   0.08550 -1.0 2.0
   33    39    45    50   0.09800  1.0 3.0
   37    33    39    72  -0.51250  1.0 1.0
   37    33    39    72  -0.88800 -1.0 2.0
   37    33    39    72   0.08850  1.0 3.0
   37    33    39    45   0.17250  1.0 1.0
   37    33    39    45  -0.04100 -1.0 2.0
   37    33    39    45  -0.33850  1.0 3.0
   37    33    40    41  -0.11250  1.0 3.0
   37    33    40    42  -0.11250  1.0 3.0
   37    33    40    43  -0.11250  1.0 3.0
   37    44    48    49   3.62500 -1.0 2.0
   37    44    48    53   3.62500 -1.0 2.0
   37    44    68    63   3.62500 -1.0 2.0
   37    44   -68    72   3.62500 -1.0 2.0
   38    37    44    48   1.05000 -1.0 2.0
   38    37    44    68   1.05000 -1.0 2.0
   44    48    53    54   3.62500 -1.0 2.0
   44    48    53    58   3.62500 -1.0 2.0
   44    68    72    73  -0.01750  1.0 1.0
   44    68    72    73  -0.32000 -1.0 2.0
   44    68    72    73   0.00600  1.0 3.0
   44    68    72    39   0.15800  1.0 1.0
   44    68    72    39   1.85350 -1.0 2.0
   44    68    72    39  -0.48700  1.0 3.0
   48    44    68    63   3.62500 -1.0 2.0
   48    44    68    72   3.62500 -1.0 2.0
   48    53    58    59   3.62500 -1.0 2.0
   48    53   -58    63   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    58   3.62500 -1.0 2.0
   53    58    63    64   3.62500 -1.0 2.0
   53    58    63    68   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    63   -68    44   3.62500 -1.0 2.0
   58    63    68    72   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    68   3.62500 -1.0 2.0
   63    68    72    73  -0.01750  1.0 1.0
   63    68    72    73  -0.32000 -1.0 2.0
   63    68    72    73   0.00600  1.0 3.0
   63    68    72    39   0.15800  1.0 1.0
   63    68    72    39   1.85350 -1.0 2.0
   63    68    72    39  -0.48700  1.0 3.0
   64    63    68    44   3.62500 -1.0 2.0
   64    63    68    72   3.62500 -1.0 2.0
   68    44    48    49   3.62500 -1.0 2.0
   68    44   -48    53   3.62500 -1.0 2.0
   68    72   -39    33   7.00000 -1.0 2.0
   68    72    39    45   7.00000 -1.0 2.0
   72    39    45    46   0.00000  1.0 1.0
   72    39    45    47   0.00000  1.0 1.0
   72    39    45    50   0.09850  1.0 1.0
   72    39    45    50   0.15250 -1.0 2.0
   72    39    45    50  -0.50650  1.0 3.0
   73    72    39    33   7.00000 -1.0 2.0
   73    72    39    45   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.65300  1.0 1.0
   39    33   -37    44  -0.03850 -1.0 2.0
   39    33   -37    44   0.33900  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    45    50    51   0.15000  1.0 3.0
   39    45    50    52   0.15000  1.0 3.0
   39    45    50    55   0.34400  1.0 1.0
   39    45    50    55   0.09450 -1.0 2.0
   39    45    50    55   0.11100  1.0 3.0
   45    50    55    56   0.15000  1.0 3.0
   45    50    55    57   0.15000  1.0 3.0
   45    50    55    60   0.56750  1.0 1.0
   45    50    55    60  -0.07550 -1.0 2.0
   45    50    55    60   0.20000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    55   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    55   0.15000  1.0 3.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    65   0.56750  1.0 1.0
   50    55    60    65  -0.07550 -1.0 2.0
   50    55    60    65   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    60    65    66   0.15000  1.0 3.0
   55    60    65    67   0.15000  1.0 3.0
   55    60    65    69   0.56750  1.0 1.0
   55    60    65    69  -0.07550 -1.0 2.0
   55    60    65    69   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    65   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    65   0.15000  1.0 3.0
   60    65    69    70   0.15000  1.0 3.0
   60    65    69    71   0.15000  1.0 3.0
   60    65    69    74   0.56750  1.0 1.0
   60    65    69    74  -0.07550 -1.0 2.0
   60    65    69    74   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    69   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    69   0.15000  1.0 3.0
   65    69    74    75   0.15000  1.0 3.0
   65    69    74    76   0.15000  1.0 3.0
   65    69    74    77   0.56750  1.0 1.0
   65    69    74    77  -0.07550 -1.0 2.0
   65    69    74    77   0.20000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    74   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    71   0.15000  1.0 3.0
   67    65    69    74   0.15000  1.0 3.0
   69    74    77    78   0.15000  1.0 3.0
   69    74    77    79   0.15000  1.0 3.0
   69    74    77    80   0.56750  1.0 1.0
   69    74    77    80  -0.07550 -1.0 2.0
   69    74    77    80   0.20000  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.15000  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    76   0.15000  1.0 3.0
   71    69    74    77   0.15000  1.0 3.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    82   0.15000  1.0 3.0
   74    77    80    83   0.56750  1.0 1.0
   74    77    80    83  -0.07550 -1.0 2.0
   74    77    80    83   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86   0.56750  1.0 1.0
   77    80    83    86  -0.07550 -1.0 2.0
   77    80    83    86   0.20000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    44   0.05850 -1.0 2.0
   40    33    37    44   0.17250  1.0 3.0
   40    33    39    72   0.09850  1.0 1.0
   40    33    39    72   0.15250 -1.0 2.0
   40    33    39    72  -0.50650  1.0 3.0
   40    33    39    45   0.46850  1.0 1.0
   40    33    39    45   0.08550 -1.0 2.0
   40    33    39    45   0.09800  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    44    37    38  10.50000 -1.0 2.0
   48    68    44    37   4.00000 -1.0 2.0
   53    49    48    44   1.10000 -1.0 2.0
   58    54    53    48   1.10000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   68    64    63    58   1.10000 -1.0 2.0
   63    72    68    44   4.00000 -1.0 2.0
   68    73    72    39   1.10000 -1.0 2.0
   33    45    39    72   1.10000 -1.0 2.0
END
