* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.99430    96.62546   -21.27750
    2     1 S   H    _HN1     2     1.02783    94.36768   -89.44441
    3     1 S   H    _H1_     3     1.02951    74.10418    18.40447
    4     1 S   H    _H2_     4     1.02831    42.24395   158.59551
    5     1 S   CT   _CA1     5     1.50090   148.75639   121.69208
    6     5 S   HC   _HA1     6     1.09585   105.19331    84.78674
    7     5 S   CO3  _C1_     7     1.53745   112.43029   -35.33553
    8     7 S   O2Z  _O11     8     1.26355   115.00052   -44.82439
    9     7 S   O2Z  _O12     9     1.26229   114.87934   134.23995
   10     5 S   CT   _CB1    10     1.53076   107.42216  -157.39768
   11    10 S   HC   HB11    11     1.09827   109.23317   -51.42785
   12    10 S   HC   HB12    12     1.09809   110.53854    65.16153
   13    10 S   CT   _CG1    13     1.52949   112.55171  -172.48274
   14    13 S   HC   HG11    14     1.09543   110.43755   -67.64238
   15    13 S   HC   HG12    15     1.09662   109.78800    51.61457
   16    13 S   C    _CD1    16     1.51739   112.34758   172.01576
   17    16 S   O    _OE1    17     1.22723   123.25822     7.24270
   18    16 S   N    _N2_    18     1.38657   111.68462  -172.79998
   19    18 S   H    _HN2    19     1.01592   118.99326     0.94936
   20    18 S   CT1  _CA2    20     1.46230   123.28245   176.14369
   21    20 S   HC   _HA2    21     1.09729   109.39207    -2.00164
   22    20 S   C    _C2_    22     1.53523   108.43906  -117.41213
   23    22 S   O    _O2_    23     1.23040   122.29267  -149.42378
   24    20 S   CT   _CB2    32     1.53206   111.61121   120.19728
   25    24 S   HC   HB21    33     1.09465   110.05161    57.95304
   26    24 S   HC   HB22    34     1.09532   110.49229   175.85655
   27    22 S   N    _N3_    24     1.38324   113.61942    37.94267
   28    27 S   H    _HN3    25     1.01602   119.49677    -3.18481
   29    24 S   S    _SG2    35     1.82898   111.50918   -65.42862
   30    27 S   CT   _CA3    26     1.45276   123.30415   177.35092
   31    30 S   HC   HA31    27     1.09544   107.49565   -65.61049
   32    30 S   HC   HA32    28     1.09555   108.02689    50.86463
   33    29 S   CT   _C25    36     1.84236   100.10017   136.96266
   34    33 S   HC   _H3_    37     1.09782   106.76184    44.17746
   35    30 S   CO3  _C3_    29     1.52971   114.00148   172.88837
   36    35 S   O2Z  _O31    30     1.26384   116.03952     0.01978
   37    35 S   O2Z  _O32    31     1.26417   114.42923  -179.92867
   38    33 S   CT   _C23    38     1.54384   111.69058   -75.48946
   39    38 S   HC   _H38    39     1.09230   106.21320    63.94906
   40    33 S   CT   _C24    70     1.53153   109.74372   161.15507
   41    40 S   HC   _H39    71     1.09761   109.79791   -54.50701
   42    38 S   CA   _C21    40     1.52454   114.28539  -176.48899
   43    40 S   OH   _O25    72     1.42602   111.86699    64.40614
   44    43 S   HO   _H43    73     0.97230   107.89775  -177.45555
   45    38 S   OH   _O24    76     1.42676   110.93464   -55.71247
   46    45 S   HO   _H42    77     0.97297   107.55592    37.96231
   47    42 S   CA   _C19    41     1.47600   121.91169  -157.35109
   48    47 S   CA   _C15    42     1.42357   114.05526   175.60034
   49    48 S   CA   _C9_    43     1.38790   121.75079  -175.57535
   50    49 S   HA   _H32    44     1.08974   121.00014   179.18195
   51    48 S   CA   _C12    63     1.39703   122.94998     4.09563
   52    51 S   HA   _H35    64     1.08947   120.96752   178.91845
   53    49 S   CA   _C11    45     1.38441   121.48036    -0.01978
   54    53 S   HA   _H34    46     1.08612   115.68918   179.13227
   55    51 S   CA   _C13    65     1.37993   121.36824    -1.55746
   56    55 S   HA   _H36    66     1.08757   119.06541  -179.46771
   57    53 S   CA   _C17    47     1.39833   122.31550    -2.43245
   58    42 S   CA   _C20    67     1.42759   116.39240    22.23990
   59    57 S   CA   _C16    48     1.45142   120.13761  -178.61224
   60    47 S   CA   _C18    62     1.49366   130.60527    -3.69793
   61    58 S   CT   _C22    68     1.51854   124.51232    -0.99976
   62    61 S   HC   _H37    69     1.09772   108.34575   134.05188
   63    59 S   CA   _C7_    49     1.42377   125.35521    -3.00908
   64    63 S   HA   _H30    50     1.08656   121.24222    -0.55214
   65    61 S   OH   _O23    74     1.43114   106.86171  -109.90917
   66    65 S   HO   _H41    75     0.97249   107.57824  -170.30681
   67    63 S   CA   _C5_    51     1.39925   122.78452   179.76510
   68    67 S   HA   _H28    52     1.08621   119.93054   179.96044
   69    67 S   CA   _C4_    53     1.38424   119.90550    -0.07913
   70    69 S   HA   _H27    54     1.08552   120.44010  -179.85329
   71    69 S   CA   _C6_    55     1.38948   119.24837     0.07913
   72    71 S   HA   _H29    56     1.08866   118.53239  -179.77706
   73    59 S   CA   _C14    57     1.40922   119.15414   176.82689
   74    73 S   CA   _C8_    58     1.38366   119.02672    -0.31590
   75    74 S   HA   _H31    59     1.08839   120.70528  -178.13554
   76    74 S   CA   _C10    60     1.39711   120.91621     1.13367
   77    76 S   HA   _H33    61     1.07806   113.27499  -177.08053
  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  10   5   4   3
  15   8   2   1   1  13   6  11   6  15   5   1   3   1  15  12
   9   4   7   3   7   3   5   2  10   5  12   6   3   2   8   4
   1   1   6   3   5   3   5   2   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    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    61    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    58    61    62    40    41    43    44    65    45    46  
   38    39    42    61    40    41    43    45  
   36    37  
   37  
    0  
   39    42    47    48    60    55    58    61    40    41    43    45    46  
   42    47    58    40    45    46  
   41    43    44    65    66    45    42    55    58    61    62  
   43    44    65    58    61    62  
   47    48    49    57    76    60    51    55    56    58    61    62    65    45    46  
   44    65    58    61    62  
   61  
   46    47    58  
    0  
   48    49    50    53    57    59    74    76    77    60    51    52    55    58    61  
   49    50    53    54    57    76    60    51    52    55    56    58  
   50    53    54    57    59    60    51    52    55  
   53    54    57    51  
   52    55    56    58    61    53    60  
   55    56    58  
   54    57    59    63    73    76    60  
   57    59    60  
   56    58    61    62    65  
   58    61  
   59    63    64    67    71    73    74    76    77    60  
   61    62    65    66    60  
   63    64    67    68    69    71    72    73    74    75    76    60  
   63    73    74    75    76    77  
   62    65    66  
   65    66  
   64    67    68    69    70    71    73    74  
   67    68    69    73  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74  
   71    72    73  
   72    73    74    75    76  
   73    74  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    45   320.000  1.410
   42    47   469.000  1.400
   42    58   469.000  1.400
   47    48   469.000  1.400
   47    60   469.000  1.400
   48    49   469.000  1.400
   48    51   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    59   469.000  1.400
   57    60   469.000  1.400
   59    63   469.000  1.400
   59    73   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    60   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    61   317.000  1.510
   61    62   340.000  1.090
   61    40   268.000  1.529
   61    65   320.000  1.410
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   65    66   553.000  0.945
   45    46   553.000  0.945
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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    38    45    50.00000  109.50000
   33    40    61    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    70.00000  120.00000
   38    42    58    70.00000  120.00000
   38    45    46    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    47    48    63.00000  120.00000
   42    47    60    63.00000  120.00000
   42    58    55    63.00000  120.00000
   42    58    61    70.00000  120.00000
   47    48    49    63.00000  120.00000
   47    48    51    63.00000  120.00000
   47    60    57    63.00000  120.00000
   47    60    76    63.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    53    63.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    57    59    63.00000  120.00000
   53    57    60    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    59    63    63.00000  120.00000
   57    59    73    63.00000  120.00000
   57    60    76    63.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    67    63.00000  120.00000
   59    73    71    63.00000  120.00000
   59    73    74    63.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    69    63.00000  120.00000
   67    63    64    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   73    59    63    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    60    63.00000  120.00000
   76    74    75    35.00000  120.00000
   60    47    48    63.00000  120.00000
   60    57    59    63.00000  120.00000
   60    76    77    35.00000  120.00000
   51    48    49    63.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    58    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    58    61    70.00000  120.00000
   58    42    47    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    40    70.00000  112.17500
   58    61    65    90.00000  112.51600
   61    40    41    37.50000  110.70000
   61    40    43    50.00000  109.50000
   61    65    66    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    61    62    37.50000  110.70000
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    40    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    90.00000  112.51600
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    47   0.04150 -1.0 2.0
   33    38    42    58   0.04150 -1.0 2.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    38    45   0.23400  1.0 3.0
   34    33    40    61   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    61   0.56750  1.0 1.0
   38    33    40    61  -0.07550 -1.0 2.0
   38    33    40    61   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.86500  1.0 1.0
   38    33    40    43  -0.17500 -1.0 2.0
   38    33    40    43   0.20800  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    60   3.62500 -1.0 2.0
   38    42    58    55   3.62500 -1.0 2.0
   38    42   -58    61   3.62500 -1.0 2.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    58   0.00000  1.0 1.0
   39    38    45    46   0.19450  1.0 3.0
   42    38    45    46   0.31900  1.0 1.0
   42    38    45    46  -0.11800 -1.0 2.0
   42    38    45    46   0.38750  1.0 3.0
   42    47    48    49   3.62500 -1.0 2.0
   42    47    48    51   3.62500 -1.0 2.0
   42    47    60    57   3.62500 -1.0 2.0
   42    47    60    76   3.62500 -1.0 2.0
   42    58    61    62   0.00000  1.0 1.0
   42    58    61    40   0.04150 -1.0 2.0
   42    58    61    65   0.14300 -1.0 2.0
   42    58    61    65   0.00300  1.0 3.0
   47    42    58    55   3.62500 -1.0 2.0
   47    42    58    61   3.62500 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48    49    53   3.62500 -1.0 2.0
   47    48    51    52   3.62500 -1.0 2.0
   47    48   -51    55   3.62500 -1.0 2.0
   48    47    60    57   3.62500 -1.0 2.0
   48    47    60    76   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49   -53    57   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   49    53    57    59   3.62500 -1.0 2.0
   49    53    57    60   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57    59    63   3.62500 -1.0 2.0
   53    57    59    73   3.62500 -1.0 2.0
   53    57   -60    47   3.62500 -1.0 2.0
   53    57    60    76   3.62500 -1.0 2.0
   54    53    57    59   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    59    63    64   3.62500 -1.0 2.0
   57    59    63    67   3.62500 -1.0 2.0
   57    59    73    71   3.62500 -1.0 2.0
   57    59    73    74   3.62500 -1.0 2.0
   59    57    60    47   3.62500 -1.0 2.0
   59    57    60    76   3.62500 -1.0 2.0
   59    63    67    68   3.62500 -1.0 2.0
   59    63    67    69   3.62500 -1.0 2.0
   59    73    74    75   3.62500 -1.0 2.0
   59    73   -74    76   3.62500 -1.0 2.0
   63    59    73    71   3.62500 -1.0 2.0
   63    59    73    74   3.62500 -1.0 2.0
   63    67    69    70   3.62500 -1.0 2.0
   63    67   -69    71   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    69   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71   -73    59   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   72    71    73    59   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    59    63    64   3.62500 -1.0 2.0
   73    59   -63    67   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    60   3.62500 -1.0 2.0
   74    76    60    47   3.62500 -1.0 2.0
   74    76   -60    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    60   3.62500 -1.0 2.0
   77    76    60    47   3.62500 -1.0 2.0
   77    76    60    57   3.62500 -1.0 2.0
   60    47   -48    49   3.62500 -1.0 2.0
   60    47    48    51   3.62500 -1.0 2.0
   60    57    59    63   3.62500 -1.0 2.0
   60    57   -59    73   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    53   3.62500 -1.0 2.0
   51    55   -58    42   3.62500 -1.0 2.0
   51    55    58    61   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    58    61    62   0.00000  1.0 1.0
   55    58    61    40   0.04150 -1.0 2.0
   55    58    61    65   0.14300 -1.0 2.0
   55    58    61    65   0.00300  1.0 3.0
   56    55    58    42   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    42   -47    48   3.62500 -1.0 2.0
   58    42    47    60   3.62500 -1.0 2.0
   58    61   -40    33  -0.03700  1.0 1.0
   58    61   -40    33   0.37200 -1.0 2.0
   58    61   -40    33  -0.47300  1.0 3.0
   58    61    40    41   0.43200  1.0 3.0
   58    61    40    43   1.13150  1.0 1.0
   58    61    40    43  -1.01400 -1.0 2.0
   58    61    65    66   0.31900  1.0 1.0
   58    61    65    66  -0.11800 -1.0 2.0
   58    61    65    66   0.38750  1.0 3.0
   61    40    43    44  -0.11600  1.0 1.0
   61    40    43    44  -0.09450 -1.0 2.0
   61    40    43    44   0.21250  1.0 3.0
   62    61    40    33   0.15000  1.0 3.0
   62    61    40    41   0.15000  1.0 3.0
   62    61    40    43   0.23400  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.03700  1.0 1.0
   40    33   -38    42   0.37200 -1.0 2.0
   40    33   -38    42  -0.47300  1.0 3.0
   40    33    38    45   0.86500  1.0 1.0
   40    33    38    45  -0.17500 -1.0 2.0
   40    33    38    45   0.20800  1.0 3.0
   40    61    65    66  -0.11600  1.0 1.0
   40    61    65    66  -0.09450 -1.0 2.0
   40    61    65    66   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   65    61    40    33   0.86500  1.0 1.0
   65    61    40    33  -0.17500 -1.0 2.0
   65    61    40    33   0.20800  1.0 3.0
   65    61    40    41   0.23400  1.0 3.0
   65    61    40    43   3.75450  1.0 1.0
   45    38    42    47   0.14300 -1.0 2.0
   45    38    42    47   0.00300  1.0 3.0
   45    38    42    58   0.14300 -1.0 2.0
   45    38    42    58   0.00300  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
   37    30    35    36  10.50000 -1.0 2.0
   47    58    42    38   4.00000 -1.0 2.0
   48    60    47    42   4.00000 -1.0 2.0
   49    51    48    47   4.00000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   59    60    57    53   4.00000 -1.0 2.0
   63    73    59    57   4.00000 -1.0 2.0
   67    64    63    59   1.10000 -1.0 2.0
   69    68    67    63   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    59   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   60    77    76    74   1.10000 -1.0 2.0
   57    76    60    47   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   55    61    58    42   4.00000 -1.0 2.0
END
