* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    152    238     458
    1     0 S   NP   _N1_     1    29.40847    94.21321   -24.67985
    2     1 S   H    _HN1     2     1.02973    83.56323    18.00714
    3     1 S   H    _H1_     3     1.02822    23.56447  -167.45508
    4     1 S   H    _H2_     4     1.02775   114.69264   -89.21908
    5     1 S   CT   _CA1     5     1.50174   122.98370   128.03756
    6     5 S   HC   _HA1     6     1.09586   105.15817    81.82376
    7     5 S   CO3  _C1_     7     1.53767   112.52630   -38.06694
    8     7 S   O2Z  _O11     8     1.26342   115.02878   -39.70852
    9     7 S   O2Z  _O12     9     1.26262   114.91185   139.31194
   10     5 S   CT   _CB1    10     1.53072   107.31020  -160.49377
   11    10 S   HC   HB11    11     1.09818   108.99430   -52.15579
   12    10 S   HC   HB12    12     1.09824   110.45360    64.21946
   13    10 S   CT   _CG1    13     1.53009   112.91530  -173.49178
   14    13 S   HC   HG11    14     1.09596   110.26070   -66.93771
   15    13 S   HC   HG12    15     1.09645   110.16141    52.30677
   16    13 S   C    _CD1    16     1.51766   112.25999   172.23980
   17    16 S   O    _OE1    17     1.22749   123.33078   -10.07310
   18    16 S   N    _N2_    18     1.38656   111.90876   171.37903
   19    18 S   H    _HN2    19     1.01573   119.21389     1.90598
   20    18 S   CT1  _CA2    20     1.45966   122.93201   179.80218
   21    20 S   HC   _HA2    21     1.09281   108.62005     3.55027
   22    20 S   C    _C2_    22     1.53442   109.56649  -111.40543
   23    22 S   O    _O2_    23     1.23049   122.01207  -147.05789
   24    20 S   CT   _CB2    32     1.53097   111.82921   125.20131
   25    24 S   HC   HB21    33     1.09664   109.53117    58.91923
   26    24 S   HC   HB22    34     1.09515   111.31670   176.06816
   27    22 S   N    _N3_    24     1.38477   113.67115    40.71413
   28    27 S   H    _HN3    25     1.01466   119.05467    -3.12800
   29    24 S   S    _SG2    35     1.82803   114.32287   -60.60784
   30    27 S   CT   _CA3    26     1.45376   123.37940   174.29848
   31    30 S   HC   HA31    27     1.09519   109.99425    19.77774
   32    30 S   HC   HA32    28     1.09515   107.00429   136.66348
   33    29 S   CT   _C9_    36     1.85048   101.05440   -65.89366
   34    33 S   HC   _H6_    37     1.09513   107.01945    70.61791
   35    30 S   CO3  _C3_    29     1.52701   112.02116  -102.37867
   36    35 S   O2Z  _O31    30     1.26319   115.05642  -100.90776
   37    35 S   O2Z  _O32    31     1.26374   115.32673    78.94219
   38    33 S   CT   _C8_    38     1.54162   108.83388  -169.27720
   39    38 S   HC   _H5_    39     1.09893   109.52102    52.61245
   40    38 S   CT   _C7_    40     1.54909   111.45207   171.95431
   41    40 S   HC   _H4_    41     1.10039   108.02791    67.06971
   42    38 S   CO3  _C17    81     1.54473   109.65593   -67.57171
   43    42 S   O2Z  _O41    82     1.26283   116.10038   -56.42810
   44    42 S   O2Z  _O40    83     1.26460   114.47796   124.29611
   45    40 S   CT   _C6_    42     1.55452   110.75346   -49.21146
   46    45 S   HC   _H3_    43     1.09924   107.35069   168.06262
   47    40 S   CT   _C18    75     1.54353   111.72546  -175.81385
   48    47 S   HC   _H22    76     1.09510   110.80945   -55.16619
   49    47 S   HC   _H23    77     1.09476   111.84401    64.51157
   50    45 S   CO   _C10    44     1.54038   109.87769    51.65593
   51    50 S   HC   _H7_    45     1.09706   108.77449  -173.58996
   52    45 S   CM   _C5_    70     1.51444   113.63143   -71.72175
   53    52 S   HC   _H15    71     1.08746   117.83349    61.82538
   54    47 S   CO4  _C19    78     1.50775   111.43478  -172.73707
   55    54 S   O    _O42    79     1.22701   123.40978  -127.70435
   56    54 S   HC   _H24    80     1.10357   115.78626    54.72983
   57    33 S   OS   _O33    46     1.42793   109.51050   -47.15665
   58    50 S   OS1  _O34    47     1.43231   108.19225    69.02195
   59    52 S   CM   _C4_    72     1.33841   123.89922  -118.62104
   60    59 S   HC   _H13    73     1.08466   120.46858  -179.86438
   61    59 S   HC   _H14    74     1.08454   121.62659     0.44323
   62    58 S   CO1  _C11    48     1.43115   113.61501   169.34628
   63    62 S   HC   _H8_    49     1.09441   108.67410    52.47341
   64    62 S   CT   _C12    50     1.53355   107.21410   171.87423
   65    64 S   HC   _H9_    51     1.09703   109.68652    54.93741
   66    64 S   CT   _C13    52     1.53061   111.11892   176.30573
   67    66 S   HC   _H10    53     1.09601   110.24855    73.51242
   68    64 S   OH5  _O39    68     1.42768   110.52173   -61.62785
   69    68 S   HO   _H21    69     0.97329   108.88315   -59.71218
   70    66 S   CT   _C14    54     1.53271   111.05450   -49.40653
   71    70 S   HC   _H11    55     1.09718   108.84557   -71.23961
   72    66 S   OH5  _O38    66     1.43011   109.47754  -170.55500
   73    72 S   HO   _H20    67     0.97205   108.11690    61.56501
   74    70 S   CT   _C15    56     1.53325   110.81983    49.65492
   75    74 S   HC   _H12    57     1.09820   111.08934    64.12572
   76    70 S   OH5  _O37    64     1.42478   109.91798   172.12757
   77    76 S   HO   _H19    65     0.97704   108.10544   -60.17622
   78    62 S   OS1  _O35    58     1.42907   111.31989   -68.40662
   79    74 S   CT   _C16    59     1.52946   111.49965  -175.05434
   80    79 S   HC   _H16    60     1.09498   110.99997    68.26141
   81    79 S   HC   _H17    61     1.09404   111.47827   -54.06820
   82    79 S   OH5  _O36    62     1.42515   109.16353  -173.10562
   83    82 S   HO   _H18    63     0.97223   106.98817   179.82306
  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
  14   6   2   1   1  15   8  19   9   5   1   1  15   8   7   4
   3  10   4   6   3   2   1   1   2   8   2   1   1  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    50    51    57    58    47    42    43    44  
   38    39    40    50    57    42  
   36    37  
   37  
    0  
   39    40    41    45    46    50    57    52    47    48    49    54    42    43    44  
   40    41    45    57    47    42    43    44  
   41    45    46    50    51    57    58    52    53    59    47    48    49    54    55    56    42    43    44  
   45    46    50    52    47    48    49    54    42  
   43    44    45    47    57  
   44  
    0  
   46    50    51    57    58    62    52    53    59    60    61    47    48    49    54  
   50    51    57    58    52    53    59    47  
   48    49    54    55    56    50    52  
   49    54    55    56  
   54    55    56  
   51    57    58    62    63    64    78    52    53    59  
   57    58    62    52  
   53    59    60    61    57    58  
   59    60    61  
   55    56  
   56  
    0  
   58    62  
   62    63    64    65    66    74    78    68  
   60    61  
   61  
    0  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    57   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    47   268.000  1.529
   45    46   340.000  1.090
   45    50   250.000  1.527
   45    52   317.000  1.510
   50    51   340.000  1.090
   50    57   320.000  1.380
   50    58   320.000  1.380
   58    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   52    53   340.000  1.080
   52    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    56   340.000  1.090
   42    43   656.000  1.250
   42    44   656.000  1.250
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    57    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  109.69300
   33    57    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    50    75.00000  109.43000
   40    45    52    70.00000  112.02700
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    54    63.00000  111.10000
   45    40    41    37.50000  110.70000
   45    50    51    45.00000  112.01100
   45    50    57    90.00000  108.56700
   45    50    58    90.00000  108.56700
   45    52    53    35.00000  117.00000
   45    52    59    70.00000  124.00000
   50    45    46    45.00000  108.72000
   50    58    62    90.00000  112.10700
   57    33    34    35.00000  109.50000
   57    33    38    50.00000  109.50000
   57    50    51    35.00000  109.50000
   58    50    51    35.00000  109.50000
   58    50    57    92.60000  111.55000
   58    62    63    60.00000  105.75400
   58    62    64    90.00000  109.70700
   58    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   52    45    46    35.00000  109.50000
   52    45    50    70.00000  112.02700
   52    59    60    35.00000  120.00000
   52    59    61    35.00000  120.00000
   59    52    53    35.00000  120.00000
   61    59    60    35.00000  117.00000
   47    40    41    37.50000  110.70000
   47    40    45    58.35000  112.70000
   47    54    55    80.00000  120.40000
   47    54    56    35.00000  115.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   56    54    55    35.00000  123.00000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  109.69300
   44    42    43    80.00000  126.00000
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    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50   0.06250  1.0 1.0
   38    33    57    50  -0.01100 -1.0 2.0
   38    33    57    50   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    50   3.97050  1.0 1.0
   38    40    45    52   0.34400  1.0 1.0
   38    40    45    52   0.09450 -1.0 2.0
   38    40    45    52   0.11100  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40    47    49   0.15000  1.0 3.0
   38    40    47    54  -0.95700  1.0 1.0
   38    40    47    54  -0.18200 -1.0 2.0
   38    40    47    54   0.29450  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.41150 -1.0 2.0
   40    38    42    44   0.41150 -1.0 2.0
   40    45    50    51   0.15000  1.0 3.0
   40    45    50    57   0.62750  1.0 1.0
   40    45    50    57  -0.30950 -1.0 2.0
   40    45    50    57   0.27300  1.0 3.0
   40    45    50    58   0.62750  1.0 1.0
   40    45    50    58  -0.30950 -1.0 2.0
   40    45    50    58   0.27300  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    59   0.09850  1.0 1.0
   40    45    52    59   0.15250 -1.0 2.0
   40    45    52    59  -0.50650  1.0 3.0
   40    47    54    55   0.30150 -1.0 2.0
   40    47    54    56   0.74550  1.0 1.0
   40    47    54    56  -0.00500 -1.0 2.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    50   0.15000  1.0 3.0
   41    40    45    52   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    54  -0.11250  1.0 3.0
   45    40    47    48   0.15000  1.0 3.0
   45    40    47    49   0.15000  1.0 3.0
   45    40    47    54  -0.95700  1.0 1.0
   45    40    47    54  -0.18200 -1.0 2.0
   45    40    47    54   0.29450  1.0 3.0
   45    50   -57    33   0.06250  1.0 1.0
   45    50   -57    33  -0.01100 -1.0 2.0
   45    50   -57    33   0.28050  1.0 3.0
   45    50    58    62   0.06250  1.0 1.0
   45    50    58    62  -0.01100 -1.0 2.0
   45    50    58    62   0.28050  1.0 3.0
   45    52    59    60   7.00000 -1.0 2.0
   45    52    59    61   7.00000 -1.0 2.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    57   0.23400  1.0 3.0
   46    45    50    58   0.23400  1.0 3.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    59   0.00000  1.0 1.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    59   0.09850  1.0 1.0
   50    45    52    59   0.15250 -1.0 2.0
   50    45    52    59  -0.50650  1.0 3.0
   50    58    62    63   0.37050  1.0 3.0
   50    58    62    64   0.06250  1.0 1.0
   50    58    62    64  -0.01100 -1.0 2.0
   50    58    62    64   0.28050  1.0 3.0
   50    58    62    78  -0.12700  1.0 1.0
   50    58    62    78  -1.16200 -1.0 2.0
   50    58    62    78   0.58800  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    62   0.37050  1.0 3.0
   57    33    38    39   0.23400  1.0 3.0
   57    33   -38    40   0.62750  1.0 1.0
   57    33   -38    40  -0.30950 -1.0 2.0
   57    33   -38    40   0.27300  1.0 3.0
   57    33    38    42  -3.35100  1.0 1.0
   57    33    38    42  -0.37050 -1.0 2.0
   57    33    38    42   0.22400  1.0 3.0
   57    50    58    62  -0.53350  1.0 1.0
   57    50    58    62  -0.78350 -1.0 2.0
   57    50    58    62   0.33750  1.0 3.0
   58    50    57    33  -0.81800  1.0 1.0
   58    62    64    65   0.23400  1.0 3.0
   58    62    64    66   0.62750  1.0 1.0
   58    62    64    66  -0.30950 -1.0 2.0
   58    62    64    66   0.27300  1.0 3.0
   58    62    64    68   1.51850  1.0 1.0
   58    62    78    74  -0.70400  1.0 1.0
   58    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   52    45    50    51   0.15000  1.0 3.0
   52    45    50    57   0.61850  1.0 1.0
   52    45    50    57  -0.22750 -1.0 2.0
   52    45    50    57   0.15300  1.0 3.0
   52    45    50    58   0.61850  1.0 1.0
   52    45    50    58  -0.22750 -1.0 2.0
   52    45    50    58   0.15300  1.0 3.0
   53    52    59    60   7.00000 -1.0 2.0
   53    52    59    61   7.00000 -1.0 2.0
   47    40    45    46   0.15000  1.0 3.0
   47    40    45    50   3.97050  1.0 1.0
   47    40    45    52   0.34400  1.0 1.0
   47    40    45    52   0.09450 -1.0 2.0
   47    40    45    52   0.11100  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    56   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
   49    47    54    56   0.00000  1.0 1.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    45  -1.63150  1.0 1.0
   42    38    40    45  -0.43550 -1.0 2.0
   42    38    40    45   0.24500  1.0 3.0
   42    38    40    47  -1.63150  1.0 1.0
   42    38    40    47  -0.43550 -1.0 2.0
   42    38    40    47   0.24500  1.0 3.0
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
   45    53    52    59  15.00000 -1.0 2.0
   60    61    59    52  15.00000 -1.0 2.0
   47    56    54    55  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
