* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    254     489
    1     0 S   NP   _N1_     1    28.26955    98.32794   -21.95802
    2     1 S   H    _HN1     2     1.02835    43.61522   147.46779
    3     1 S   H    _H1_     3     1.02777   103.45307  -110.58426
    4     1 S   H    _H2_     4     1.02957    67.48735    -6.03806
    5     1 S   CT   _CA1     5     1.50139   142.23723    88.58056
    6     5 S   HC   _HA1     6     1.09573   105.20678    98.35733
    7     5 S   CO3  _C1_     7     1.53784   112.37057   -21.83214
    8     7 S   O2Z  _O11     8     1.26369   114.98978   -43.37574
    9     7 S   O2Z  _O12     9     1.26234   114.93283   135.69657
   10     5 S   CT   _CB1    10     1.53094   107.42217  -143.71598
   11    10 S   HC   HB11    11     1.09828   109.33569   -50.23063
   12    10 S   HC   HB12    12     1.09816   110.42297    66.32737
   13    10 S   CT   _CG1    13     1.53024   112.68176  -171.28492
   14    13 S   HC   HG11    14     1.09592   110.51493   -64.64598
   15    13 S   HC   HG12    15     1.09658   109.90007    54.56297
   16    13 S   C    _CD1    16     1.51843   112.29319   174.94685
   17    16 S   O    _OE1    17     1.22755   123.28161     1.57967
   18    16 S   N    _N2_    18     1.38546   111.73005  -178.50839
   19    18 S   H    _HN2    19     1.01571   119.04543     4.38204
   20    18 S   CT1  _CA2    20     1.45868   122.88802   177.78689
   21    20 S   HC   _HA2    21     1.09721   108.95255    24.03541
   22    20 S   C    _C2_    22     1.52887   106.81201   -93.13181
   23    22 S   O    _O2_    23     1.22993   122.95298   -29.61717
   24    20 S   CT   _CB2    32     1.53234   112.14203   147.24292
   25    24 S   HC   HB21    33     1.09429   109.59582    54.19419
   26    24 S   HC   HB22    34     1.09445   109.81669   173.05703
   27    22 S   N    _N3_    24     1.38481   112.63722   152.96474
   28    27 S   H    _HN3    25     1.01651   120.38698    -0.97478
   29    24 S   S    _SG2    35     1.82967   110.65723   -66.84539
   30    27 S   CT   _CA3    26     1.45358   122.43963   178.71931
   31    30 S   HC   HA31    27     1.09566   107.52123   -63.02007
   32    30 S   HC   HA32    28     1.09574   107.88504    53.29821
   33    29 S   CT   _C13    36     1.86638   101.48380   173.61761
   34    30 S   CO3  _C3_    29     1.52895   114.39212   175.36798
   35    34 S   O2Z  _O31    30     1.26332   116.09379     1.79362
   36    34 S   O2Z  _O32    31     1.26456   114.40030  -178.15644
   37    33 S   CO4  _C11    37     1.52567   105.97790   -67.84995
   38    37 S   O    _O24    38     1.23123   122.30845   -63.37101
   39    33 S   CM   _C12    51     1.52597   110.64938    57.64609
   40    33 S   CT   _C14    86     1.54314   107.07220   179.39964
   41    40 S   HC   _H30    87     1.09546   112.91269   -58.83266
   42    40 S   HC   _H31    88     1.09722   110.53384  -179.53438
   43    40 S   HC   _H32    89     1.09734   112.29759    61.79350
   44    37 S   CA   _C9_    39     1.47106   118.71858   115.32634
   45    39 S   CT   _C16    52     1.54330   115.37090    65.04056
   46    45 S   HC   _H36    53     1.09851   109.68112  -135.68275
   47    45 S   HC   _H37    54     1.09561   110.64376   -21.46748
   48    44 S   CA   _C7_    40     1.40834   117.85399  -175.34120
   49    48 S   HA   _H29    41     1.08746   121.09933    -0.80842
   50    45 S   CT   _C18    55     1.53608   113.58447   101.42433
   51    50 S   HC   _H40    56     1.09605   110.34728    60.33809
   52    50 S   HC   _H41    57     1.09531   110.39805   -57.25317
   53    48 S   CA   _C5_    42     1.39016   120.60301   178.86564
   54    53 S   HA   _H27    43     1.08562   120.29577  -179.90309
   55    50 S   CT   _C20    58     1.53088   111.05137  -178.56537
   56    55 S   HC   _H44    59     1.09678   109.55478   -58.50148
   57    55 S   HC   _H45    60     1.09680   109.55984    58.83314
   58    53 S   CA   _C4_    44     1.38545   119.34297    -0.07402
   59    58 S   HA   _H26    45     1.08609   120.23186  -179.89532
   60    55 S   CT   _C22    61     1.52962   111.33254  -179.85196
   61    60 S   HC   _H48    62     1.09682   109.56817    58.62345
   62    60 S   HC   _H49    63     1.09681   109.56522   -58.66476
   63    58 S   CA   _C6_    46     1.39841   119.86114     0.14671
   64    63 S   HA   _H28    47     1.08887   116.69494   179.96044
   65    60 S   CT   _C24    64     1.52954   111.32568   179.98022
   66    65 S   HC   _H52    65     1.09681   109.56948    58.66648
   67    65 S   HC   _H53    66     1.09681   109.56576   -58.62390
   68    44 S   CA   _C8_    48     1.39836   120.59204     3.67338
   69    65 S   CT   _C25    67     1.52957   111.32538  -180.00000
   70    69 S   HC   _H54    68     1.09681   109.56778    58.60423
   71    69 S   HC   _H55    69     1.09681   109.56643   -58.68293
   72    68 S   CMA  _C10    49     1.51565   123.64658     1.76979
   73    72 S   OM   _O23    50     1.27022   118.57729   176.99502
   74    69 S   CT   _C23    70     1.52959   111.33139   179.96044
   75    74 S   HC   _H50    71     1.09681   109.56493   -58.64034
   76    74 S   HC   _H51    72     1.09681   109.56769    58.64600
   77    74 S   CT   _C21    73     1.52961   111.33059  -180.00000
   78    77 S   HC   _H46    74     1.09682   109.56571    58.63096
   79    77 S   HC   _H47    75     1.09681   109.56737   -58.65467
   80    77 S   CT   _C19    76     1.52957   111.33323   180.00000
   81    80 S   HC   _H42    77     1.09685   109.57542    58.64697
   82    80 S   HC   _H43    78     1.09685   109.57635   -58.62374
   83    80 S   CT   _C17    79     1.52848   111.32911  -179.98022
   84    83 S   HC   _H38    80     1.09623   109.86519    58.87931
   85    83 S   HC   _H39    81     1.09623   109.86695   -58.84873
   86    83 S   CT   _C15    82     1.52037   111.49311  -179.97202
   87    86 S   HC   _H33    83     1.09469   111.00092    60.27215
   88    86 S   HC   _H34    84     1.09469   111.00114   -60.24587
   89    86 S   HC   _H35    85     1.09449   110.26204  -179.97202
  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
