* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    140    212     411
    1     0 S   NP   _N1_     1    28.07854    96.74594   -22.46372
    2     1 S   H    _HN1     2     1.02836    37.99349   150.60220
    3     1 S   H    _H1_     3     1.02777   102.93328  -106.81553
    4     1 S   H    _H2_     4     1.02957    73.29859    -1.27411
    5     1 S   CT   _CA1     5     1.50133   140.39432   100.74598
    6     5 S   HC   _HA1     6     1.09576   105.21068    89.43967
    7     5 S   CO3  _C1_     7     1.53776   112.29911   -30.73520
    8     7 S   O2Z  _O11     8     1.26363   115.00360   -45.27741
    9     7 S   O2Z  _O12     9     1.26229   114.92340   133.73147
   10     5 S   CT   _CB1    10     1.53083   107.41277  -152.68855
   11    10 S   HC   HB11    11     1.09829   109.31535   -50.56109
   12    10 S   HC   HB12    12     1.09815   110.44324    65.98135
   13    10 S   CT   _CG1    13     1.53031   112.68235  -171.62023
   14    13 S   HC   HG11    14     1.09594   110.50812   -64.56019
   15    13 S   HC   HG12    15     1.09657   109.90904    54.65071
   16    13 S   C    _CD1    16     1.51854   112.24888   175.00523
   17    16 S   O    _OE1    17     1.22749   123.21759     1.16399
   18    16 S   N    _N2_    18     1.38536   111.74022  -178.80975
   19    18 S   H    _HN2    19     1.01564   119.08322     4.25100
   20    18 S   CT1  _CA2    20     1.45925   122.91165   177.92963
   21    20 S   HC   _HA2    21     1.09660   108.86987    25.38481
   22    20 S   C    _C2_    22     1.52818   106.84417   -91.92794
   23    22 S   O    _O2_    23     1.23051   122.81073   -29.65367
   24    20 S   CT   _CB2    32     1.53105   112.04599   148.87285
   25    24 S   HC   HB21    33     1.09578   110.19765    53.95729
   26    24 S   HC   HB22    34     1.09538   110.24582   172.81840
   27    22 S   N    _N3_    24     1.38605   112.91612   153.22791
   28    27 S   H    _HN3    25     1.01837   120.22313    -3.08737
   29    24 S   S    _SG2    35     1.82555   111.21444   -67.00223
   30    27 S   CT   _CA3    26     1.45393   121.70538   178.19376
   31    30 S   HC   HA31    27     1.09601   107.34834   -59.50502
   32    30 S   HC   HA32    28     1.09574   107.95916    56.43105
   33    29 S   CT   _C7_    36     1.82853    99.01819   179.08379
   34    33 S   HC   _H3_    37     1.09368   107.48295    42.03276
   35    30 S   CO3  _C3_    29     1.52656   114.48980   177.80100
   36    35 S   O2Z  _O31    30     1.26257   115.84631   -31.01435
   37    35 S   O2Z  _O32    31     1.26435   114.66743   149.40403
   38    33 S   CM   _C6_    38     1.50369   110.43668   -81.47680
   39    38 S   HC   _H9_    39     1.09205   115.50874   -58.11379
   40    33 S   C    _C8_    47     1.52705   107.63971   159.88046
   41    40 S   O    _O34    48     1.23033   123.37743    60.67104
   42    38 S   CMA  _C5_    40     1.35563   126.62398   122.23257
   43    42 S   OM   _O38    41     1.26783   123.75335   179.29947
   44    40 S   N    _N4_    49     1.38726   112.57292  -117.68249
   45    44 S   H    _H10    50     1.01545   119.70008    -3.92066
   46    42 S   OS   _O33    42     1.41656   111.74787     0.38359
   47    44 S   CT   _C9_    51     1.45335   122.76554   172.07068
   48    47 S   HC   _H11    52     1.09618   108.28948    39.62014
   49    47 S   HC   _H12    53     1.09610   106.74165   155.97292
   50    46 S   CT   _C4_    43     1.42683   114.32303  -145.60205
   51    50 S   HC   _H6_    44     1.09405   107.75794   172.30395
   52    50 S   HC   _H7_    45     1.09540   111.07142    54.18778
   53    50 S   HC   _H8_    46     1.09480   111.03747   -69.73622
   54    47 S   CT1  _C10    54     1.53423   111.59367   -82.27100
   55    54 S   HC   _H4_    55     1.09651   110.46071    56.75122
   56    54 S   C    _C11    56     1.52969   109.81472   -64.02466
   57    56 S   O    _O35    57     1.22952   123.16805   -87.48322
   58    54 S   NT   _N6_    79     1.46453   110.28115   176.67846
   59    58 S   H    _H21    80     1.01923   109.54717   -62.16062
   60    58 S   H    _H22    81     1.01958   109.49273  -178.33587
   61    56 S   N    _N5_    58     1.38866   112.39881    90.43804
   62    61 S   H    _H13    59     1.01615   119.57936     0.52897
   63    61 S   CT1  _C12    60     1.46611   122.98765  -174.88029
   64    63 S   HC   _H5_    61     1.09789   107.02850   -35.29935
   65    63 S   CO3  _C20    62     1.54453   110.12650  -153.02578
   66    65 S   O2Z  _O37    63     1.26331   116.05649   -80.40963
   67    65 S   O2Z  _O36    64     1.26480   114.52306    98.12625
   68    63 S   CT   _C13    65     1.53762   109.36564    83.01087
   69    68 S   HC   _H14    66     1.09816   110.97859    68.37922
   70    68 S   HC   _H15    67     1.09879   110.09547   -46.97577
   71    68 S   CA   _C14    68     1.50918   113.04707  -167.48398
   72    71 S   CA   _C15    69     1.40059   120.68572  -102.14882
   73    72 S   HA   _H16    70     1.08730   120.43622    -0.04846
   74    72 S   CA   _C16    71     1.39577   120.42005   179.53270
   75    74 S   HA   _H17    72     1.08646   119.86062  -179.69868
   76    74 S   CA   _C17    73     1.39356   120.12041    -0.00000
   77    76 S   HA   _H18    74     1.08599   119.97602  -179.85873
   78    76 S   CA   _C18    75     1.39346   119.93446    -0.06256
   79    78 S   HA   _H19    76     1.08610   120.01083  -179.82641
   80    71 S   CA   _C19    77     1.40207   120.30111    77.25549
   81    80 S   HA   _H20    78     1.08738   120.23394     0.31027
  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   8   5   4   3
  11   6   2   1   1   8   4   8   3   6   2   8   4   4  10   5
   4   3   2   1   1   9   6  10   4   3   1   1  10   4  10   7
   6   2   1   9   4   3   9   8   4   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    50    40    41    44  
   42    43    46    40  
   41    44    45    47    48    49    54    42  
   44    45    47  
   43    46    50    51    52    53  
   46    50  
   45    47    48    49    54    55    56    58  
   47    48    49    54  
   50    51    52    53  
   48    49    54    55    56    57    61    58    59    60  
   49    54    55    56    58  
   54    55    56    58  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    61    62    63    58    59    60  
   56    57    61    58    59    60  
   57    61    62    63    64    65    68    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    68  
   64    65    66    67    68    69    70    71    72    80  
   65    66    67    68    69    70    71  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71    72    73    74    78    80    81  
   70    71    72    80  
   71    72    80  
   72    73    74    75    76    78    79    80    81  
   73    74    75    76    77    78    80    81  
   74    75    76    80  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    45   434.000  1.010
   44    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    58   305.000  1.457
   56    57   570.000  1.229
   56    61   490.000  1.335
   61    62   434.000  1.010
   61    63   337.000  1.449
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    68   268.000  1.529
   65    66   656.000  1.250
   65    67   656.000  1.250
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   469.000  1.400
   71    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   58    59   434.000  1.010
   58    60   434.000  1.010
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    70.00000  112.33000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    70.00000  116.60000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   42    38    39    40.00000  120.50800
   42    46    50    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  115.00700
   40    44    45    35.00000  119.80000
   40    44    47    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    54    70.00000  110.72300
   47    44    45    38.00000  118.40000
   47    54    55    37.50000  110.70000
   47    54    56    63.00000  111.10000
   47    54    58    80.00000  111.22000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    61    70.00000  116.60000
   54    58    59    50.00000  111.55300
   54    58    60    50.00000  111.55300
   56    54    55    35.00000  109.50000
   56    61    62    35.00000  119.80000
   56    61    63    50.00000  121.90000
   61    56    57    80.00000  122.90000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  110.10000
   61    63    68    80.00000  109.70000
   63    61    62    38.00000  118.40000
   63    65    66    70.00000  117.00000
   63    65    67    70.00000  117.00000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    63.00000  114.00000
   65    63    64    35.00000  109.50000
   67    65    66    80.00000  126.00000
   68    63    64    37.50000  110.70000
   68    63    65    63.00000  111.10000
   68    71    72    70.00000  120.00000
   68    71    80    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    80    78    63.00000  120.00000
   71    80    81    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   80    71    72    63.00000  120.00000
   80    78    79    35.00000  120.00000
   58    54    55    50.00000  109.55000
   58    54    56    75.00000  111.54000
   60    58    59    43.60000  106.40000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   2.45000 -1.0 2.0
   33    40    44    47   1.49850  1.0 1.0
   33    40    44    47   1.53950 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.00000  1.0 1.0
   38    42    46    50  -2.26850  1.0 1.0
   38    42    46    50   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    50    51   0.08050  1.0 3.0
   42    46    50    52   0.08050  1.0 3.0
   42    46    50    53   0.08050  1.0 3.0
   43    42    46    50   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    49   0.00000  1.0 1.0
   40    44    47    54  -0.43950  1.0 1.0
   40    44    47    54  -0.08100 -1.0 2.0
   40    44    47    54   0.03350  1.0 3.0
   41    40    44    45   2.45000 -1.0 2.0
   41    40    44    47   3.04450 -1.0 2.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    56  -2.10200  1.0 1.0
   44    47    54    56  -0.31600 -1.0 2.0
   44    47    54    56   0.13050  1.0 3.0
   44    47    54    58   2.65250  1.0 1.0
   44    47    54    58   0.86150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   45    44    47    54   0.00000  1.0 1.0
   47    54    56    57   0.00000  1.0 1.0
   47    54    56    61   0.93250  1.0 1.0
   47    54    56    61   0.04450 -1.0 2.0
   47    54    56    61   0.17550  1.0 3.0
   47    54    58    59  -0.05950  1.0 1.0
   47    54    58    59   0.08850 -1.0 2.0
   47    54    58    59   0.11750  1.0 3.0
   47    54    58    60  -0.05950  1.0 1.0
   47    54    58    60   0.08850 -1.0 2.0
   47    54    58    60   0.11750  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56  -0.03800  1.0 3.0
   48    47    54    58   0.15000  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56  -0.03800  1.0 3.0
   49    47    54    58   0.15000  1.0 3.0
   54    56    61    62   2.45000 -1.0 2.0
   54    56    61    63   1.15000  1.0 1.0
   54    56    61    63   3.04450 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    61   0.00000  1.0 1.0
   55    54    58    59   0.20000  1.0 3.0
   55    54    58    60   0.20000  1.0 3.0
   56    54    58    59   0.21900  1.0 1.0
   56    54    58    59  -0.24900 -1.0 2.0
   56    54    58    59   0.15200  1.0 3.0
   56    54    58    60   0.21900  1.0 1.0
   56    54    58    60  -0.24900 -1.0 2.0
   56    54    58    60   0.15200  1.0 3.0
   56    61    63    64   0.00000  1.0 1.0
   56    61    63    65  -0.29800  1.0 1.0
   56    61    63    65   0.13950 -1.0 2.0
   56    61    63    65  -2.45650  1.0 3.0
   56    61    63    68   0.25950  1.0 1.0
   56    61    63    68   0.43850 -1.0 2.0
   56    61    63    68   2.61650  1.0 3.0
   57    56    61    62   2.45000 -1.0 2.0
   57    56    61    63   3.04450 -1.0 2.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    68    69   0.23200  1.0 3.0
   61    63    68    70   0.23200  1.0 3.0
   61    63    68    71   0.42250  1.0 1.0
   61    63    68    71  -0.48100 -1.0 2.0
   61    63    68    71   0.35650  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.00000  1.0 1.0
   63    68    71    72   0.00000  1.0 1.0
   63    68    71    80   0.00000  1.0 1.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.23100  1.0 3.0
   65    63    68    69  -0.03800  1.0 3.0
   65    63    68    70  -0.03800  1.0 3.0
   65    63    68    71  -0.84850  1.0 1.0
   65    63    68    71  -0.22800 -1.0 2.0
   65    63    68    71   0.29250  1.0 3.0
   68    63    65    66   0.00000  1.0 1.0
   68    63    65    67   0.00000  1.0 1.0
   68    71    72    73   3.62500 -1.0 2.0
   68    71    72    74   3.62500 -1.0 2.0
   68    71    80    78   3.62500 -1.0 2.0
   68    71    80    81   3.62500 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    80   0.00000  1.0 1.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    80   0.00000  1.0 1.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    80    78   3.62500 -1.0 2.0
   72    71    80    81   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    71   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    71   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    71    72    73   3.62500 -1.0 2.0
   80    71   -72    74   3.62500 -1.0 2.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    61   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   43    46    42    38  15.00000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
   45    40    44    47   1.00000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   62    56    61    63   1.00000 -1.0 2.0
   66    63    65    67  10.50000 -1.0 2.0
   72    80    71    68   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    71   1.10000 -1.0 2.0
END
