* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    154    245     444
    1     0 S   NP   _N1_     1    31.71025   101.09317   -21.69484
    2     1 S   H    _HN1     2     1.03474   171.26567   -68.54637
    3     1 S   H    _H1_     3     1.02852    65.26152  -108.02150
    4     1 S   H    _H2_     4     1.02734    80.18541   137.60664
    5     1 S   CT   _CA1     5     1.50144    67.40478    19.82233
    6     5 S   HC   _HA1     6     1.09533   104.96400   126.46888
    7     5 S   CO3  _C1_     7     1.53751   113.25547     5.77258
    8     7 S   O2Z  _O11     8     1.26437   115.06649   -29.96875
    9     7 S   O2Z  _O12     9     1.26237   115.15183   149.51557
   10     5 S   CT   _CB1    10     1.53003   107.38263  -115.00863
   11    10 S   HC   HB11    11     1.09563   109.35379   -39.94443
   12    10 S   HC   HB12    12     1.09835   110.40750    75.59625
   13    10 S   CT   _CG1    13     1.53294   113.02799  -162.58623
   14    13 S   HC   HG11    14     1.09542   110.83768   -95.75541
   15    13 S   HC   HG12    15     1.09625   111.71052    23.67064
   16    13 S   C    _CD1    16     1.51492   109.58916   143.88752
   17    16 S   O    _OE1    17     1.22763   122.19860    96.42473
   18    16 S   N    _N2_    18     1.38450   112.21732   -80.73200
   19    18 S   H    _HN2    19     1.01935   118.82580    -4.75176
   20    18 S   CT1  _CA2    20     1.45944   123.31914   172.62898
   21    20 S   HC   _HA2    21     1.09676   108.78072    30.36120
   22    20 S   C    _C2_    22     1.53257   108.76635   -86.43185
   23    22 S   O    _O2_    23     1.23108   121.10824   152.60786
   24    20 S   CT   _CB2    32     1.53288   111.64689   153.86349
   25    24 S   HC   HB21    33     1.09266   109.51434    59.30085
   26    24 S   HC   HB22    34     1.09540   110.06009   177.14672
   27    22 S   N    _N3_    24     1.38368   114.38959   -34.96997
   28    27 S   H    _HN3    25     1.01577   119.35578     2.67635
   29    24 S   S    _SG2    35     1.82794   111.00315   -63.21466
   30    27 S   CT   _CA3    26     1.45282   123.34410  -177.56458
   31    30 S   HC   HA31    27     1.09558   108.19707   -45.54552
   32    30 S   HC   HA32    28     1.09543   107.25448    70.85009
   33    29 S   CT   _C16    36     1.87445   102.09536   151.06832
   34    30 S   CO3  _C3_    29     1.53052   114.35327  -167.78163
   35    34 S   O2Z  _O31    30     1.26435   116.34769     0.43969
   36    34 S   O2Z  _O32    31     1.26423   114.41344  -179.77100
   37    33 S   CT   _C14    37     1.56008   104.84762   178.52674
   38    37 S   HC   _H10    38     1.09562   111.39448   -56.89171
   39    37 S   HC   _H11    39     1.09536   111.40591    61.10020
   40    33 S   CT   _C18    72     1.56642   109.66727    57.80978
   41    40 S   HC   _H16    73     1.09595   110.25489   -60.88807
   42    40 S   HC   _H17    74     1.09573   109.72602  -176.71729
   43    37 S   S    _S1_    40     1.83031   114.28341  -177.27502
   44    40 S   S    _S2_    75     1.82941   116.28432    62.14501
   45    43 S   C4T  _C15    41     1.81978    96.50182   -58.55111
   46    45 S   HC   _H12    42     1.09496   114.12127   -79.31491
   47    44 S   CRA  _C12    76     1.72532   101.24196   176.44543
   48    45 S   C4T  _C4_    43     1.55605   116.85483   144.47171
   49    48 S   HC   _H4_    44     1.09646   113.96828   133.93262
   50    45 S   N4   _N9_    47     1.45460   109.54963    48.03165
   51    47 S   N5B  _N5_    77     1.31400   127.99954    -1.07082
   52    48 S   C4   _C5_    45     1.55314    85.15359  -113.87382
   53    52 S   O    _O1_    46     1.20898   136.43407  -179.27153
   54    33 S   CT1  _C20    48     1.56802   111.14628   -62.24530
   55    54 S   HC   _H20    49     1.09846   108.54931    80.55301
   56    48 S   N    _N4_    53     1.47920   118.38041    -0.30132
   57    56 S   H    _H3_    54     1.01733   119.14646   -92.36908
   58    51 S   N5B  _N6_    78     1.37543   105.76294  -179.90935
   59    54 S   CO3  _C21    50     1.54966   117.17948   -39.27101
   60    59 S   O2Z  _O4_    51     1.26618   114.63179   113.76672
   61    59 S   O2Z  _O5_    52     1.26210   116.15144   -66.34247
   62    56 S   C    _C13    55     1.38756   122.81161    86.16036
   63    62 S   O    _O33    56     1.22917   124.49093     1.41208
   64    58 S   N5A  _N7_    79     1.32717   111.11810     0.02798
   65    62 S   CT   _C19    57     1.52723   112.83463  -179.18291
   66    65 S   HC   _H18    58     1.09666   107.36295   -51.62933
   67    47 S   NA   _N8_    80     1.36428   123.43820   179.13952
   68    65 S   CA   _C11    59     1.51296   112.44879    69.70018
   69    65 S   OH   _O3_    70     1.42009   110.41718  -167.17292
   70    69 S   HO   _H19    71     0.97258   108.00052   -55.90231
   71    67 S   CT   _C17    81     1.43734   130.09565    -0.05234
   72    71 S   HC   _H13    82     1.09264   108.77058    57.93391
   73    71 S   HC   _H14    83     1.09329   109.57343   177.58824
   74    71 S   HC   _H15    84     1.09267   108.61095   -62.67192
   75    68 S   CA   _C9_    60     1.40330   121.31308    59.19906
   76    75 S   HA   _H8_    61     1.08734   120.51242     0.25179
   77    75 S   CA   _C7_    62     1.39615   120.60942  -179.20132
   78    77 S   HA   _H6_    63     1.08628   119.90927   179.65850
   79    77 S   CA   _C6_    64     1.39281   120.09391    -0.32143
   80    79 S   HA   _H5_    65     1.08591   120.05926  -179.83214
   81    79 S   CA   _C8_    66     1.39283   119.88949     0.04846
   82    81 S   HA   _H7_    67     1.08630   120.00082  -179.87967
   83    68 S   CA   _C10    68     1.40262   120.00968  -120.34946
   84    83 S   HA   _H9_    69     1.08736   120.51778    -0.51700
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  12   6   8  10
   6   8   4   7   2   4   3   7   3   3   2   1   1   8   4   5
  10   5   4  11   3   1   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    54    55    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    52    50    54    55    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    50    54    55    59    40    41    42    44  
   39    43    45    54    40  
   43    45    54    40  
   41    42    44    47    51    67    43    50    54    55    59  
   42    44    47    54  
   44    47    54  
   45    46    48    49    52    50    54    56  
   47    51    58    64    67    71    54  
   46    48    49    52    53    50    54    55    59    56    57    62  
   48    49    52    50    54    56  
   51    58    64    67    71    72    73    74  
   49    52    53    50    54    56    57    62    63    65  
   52    53    50    56    57    62  
   54    55    59    60    61    56    52    53  
   58    64    67    71  
   53    54    55    59    56    57    62  
   54    56  
   55    59    60    61  
   59    60    61  
   57    62    63    65    66    68    69  
   62    63    65  
   64    67    71  
   60    61  
   61  
    0  
   63    65    66    68    75    83    69    70  
   65    66    68    69  
   67    71    72    73    74  
   66    68    75    76    77    81    83    84    69    70  
   68    75    83    69    70  
   71    72    73    74  
   75    76    77    78    79    81    82    83    84    69    70  
   70    75    83  
    0  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80    81    83    84  
   77    78    79    83  
   78    79    80    81    82    83  
   79    80    81  
   80    81    82    83    84  
   81    82    83  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   65   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   305.000  1.456
   48    49   340.000  1.090
   48    52   250.000  1.540
   48    56   337.000  1.449
   52    53   930.000  1.212
   52    50   440.000  1.369
   50    54   337.000  1.449
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   56    57   434.000  1.010
   56    62   490.000  1.335
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    68   317.000  1.510
   65    69   320.000  1.410
   68    75   469.000  1.400
   68    83   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   69    70   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    51   488.000  1.335
   47    67   477.000  1.343
   51    58   290.000  1.379
   58    64   420.000  1.291
   64    67   400.000  1.349
   67    71   320.000  1.443
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    54    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    54    50    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    48    49    37.50000  110.70000
   45    48    52   100.00000   86.36000
   45    48    56    80.00000  110.05700
   45    50    52   100.00000   93.00000
   45    50    54    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    52    53    60.00000  136.58000
   48    52    50    95.00000   92.72400
   48    56    57    38.00000  118.40000
   48    56    62    50.00000  121.90000
   52    48    49    40.00000  113.37500
   52    50    54    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    48   105.00000   87.49700
   50    52    53    75.00000  131.60000
   50    54    55    35.00000  109.50000
   50    54    59    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    59    60    70.00000  117.00000
   54    59    61    70.00000  117.00000
   59    54    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   56    48    49    50.00000  112.01000
   56    48    52    75.00000  110.24000
   56    62    63    80.00000  122.90000
   56    62    65    70.00000  116.60000
   62    56    57    35.00000  119.80000
   62    65    66    35.00000  109.50000
   62    65    68    70.00000  109.44300
   62    65    69    95.00000  109.52300
   65    62    63    80.00000  120.40000
   65    68    75    70.00000  120.00000
   65    68    83    70.00000  120.00000
   65    69    70    55.00000  108.50000
   68    65    66    35.00000  109.50000
   68    75    76    35.00000  120.00000
   68    75    77    63.00000  120.00000
   68    83    81    63.00000  120.00000
   68    83    84    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   83    68    75    63.00000  120.00000
   83    81    82    35.00000  120.00000
   69    65    66    35.00000  109.50000
   69    65    68    90.00000  112.51600
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    51    70.00000  126.12900
   44    47    67    70.00000  123.45500
   47    51    58   100.00000  108.10500
   47    67    64    95.00000  110.06400
   47    67    71    60.00000  127.66100
   51    58    64   100.00000  111.97400
   58    64    67   110.00000  106.81600
   64    67    71    75.00000  118.68000
   67    47    51    70.00000  120.00000
   67    71    72    50.00000  108.61900
   67    71    73    50.00000  108.61900
   67    71    74    50.00000  108.61900
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    54    50   0.71400  1.0 1.0
   29    33    54    50   0.04300 -1.0 2.0
   29    33    54    50   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59  -2.17200  1.0 1.0
   29    33    54    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    54    59    60   0.00000  1.0 1.0
   33    54    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    54    50   0.42250  1.0 1.0
   37    33    54    50  -0.48100 -1.0 2.0
   37    33    54    50   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    59  -0.84850  1.0 1.0
   37    33    54    59  -0.22800 -1.0 2.0
   37    33    54    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    49   0.00000  1.0 1.0
   43    45    48    52   0.00000  1.0 1.0
   43    45    48    56   0.00000  1.0 1.0
   43    45   -50    52   0.00000  1.0 1.0
   43    45    50    54   0.00000  1.0 1.0
   45    48    52    53  -0.11250  1.0 1.0
   45    48    52    53   0.11400 -1.0 2.0
   45    48    52    53  -0.28950  1.0 3.0
   45    48   -52    50   3.00000 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    62  -0.43950  1.0 1.0
   45    48    56    62  -0.08100 -1.0 2.0
   45    48    56    62   0.03350  1.0 3.0
   45    50   -54    33   0.00000  1.0 1.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    59   0.00000  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45   -50    52   0.00000  1.0 1.0
   46    45    50    54   0.00000  1.0 1.0
   48    45   -50    52   0.00000  1.0 1.0
   48    45    50    54   0.00000  1.0 1.0
   48    52   -50    45   3.00000 -1.0 2.0
   48    52   -50    54   3.00000 -1.0 2.0
   48    56    62    63   3.04450 -1.0 2.0
   48    56    62    65   1.49850  1.0 1.0
   48    56    62    65   1.53950 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    50   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    62   0.00000  1.0 1.0
   52    48    56    57   0.00000  1.0 1.0
   52    48    56    62  -0.42300  1.0 1.0
   52    48    56    62  -0.07000 -1.0 2.0
   52    48    56    62   0.04150  1.0 3.0
   52    50    54    33   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    59   0.00000  1.0 1.0
   53    52   -50    45   3.00000 -1.0 2.0
   53    52    50    54   3.00000 -1.0 2.0
   50    45   -48    49   0.15000  1.0 3.0
   50    45   -48    52   3.00000 -1.0 2.0
   50    45    48    56   2.20050  1.0 1.0
   50    45    48    56   0.63450 -1.0 2.0
   50    45    48    56  -0.91300  1.0 3.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    43   0.44750  1.0 1.0
   54    33   -37    43  -0.17800 -1.0 2.0
   54    33   -37    43   0.20200  1.0 3.0
   54    33    40    41   0.15000  1.0 3.0
   54    33    40    42   0.15000  1.0 3.0
   54    33    40    44   0.44750  1.0 1.0
   54    33    40    44  -0.17800 -1.0 2.0
   54    33    40    44   0.20200  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   56    48    52    53   0.30150 -1.0 2.0
   56    48   -52    50   0.00000  1.0 1.0
   56    62    65    66   0.00000  1.0 1.0
   56    62    65    68   0.00000  1.0 1.0
   56    62    65    69   0.00000  1.0 1.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    65   2.45000 -1.0 2.0
   62    65    68    75   0.04300 -1.0 2.0
   62    65    68    83   0.04300 -1.0 2.0
   62    65    69    70   0.91850  1.0 1.0
   62    65    69    70   0.57950  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    68   0.30150 -1.0 2.0
   63    62    65    69   0.30150 -1.0 2.0
   65    68    75    76   3.62500 -1.0 2.0
   65    68    75    77   3.62500 -1.0 2.0
   65    68    83    81   3.62500 -1.0 2.0
   65    68    83    84   3.62500 -1.0 2.0
   66    65    68    75   0.00000  1.0 1.0
   66    65    68    83   0.00000  1.0 1.0
   66    65    69    70   0.19450  1.0 3.0
   68    65    69    70   0.31900  1.0 1.0
   68    65    69    70  -0.11800 -1.0 2.0
   68    65    69    70   0.38750  1.0 3.0
   68    75    77    78   3.62500 -1.0 2.0
   68    75    77    79   3.62500 -1.0 2.0
   75    68    83    81   3.62500 -1.0 2.0
   75    68    83    84   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77   -79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   77    79    81    83   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81   -83    68   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   82    81    83    68   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    68    75    76   3.62500 -1.0 2.0
   83    68   -75    77   3.62500 -1.0 2.0
   69    65    68    75   0.14300 -1.0 2.0
   69    65    68    75   0.00300  1.0 3.0
   69    65    68    83   0.14300 -1.0 2.0
   69    65    68    83   0.00300  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    54    50   0.42250  1.0 1.0
   40    33    54    50  -0.48100 -1.0 2.0
   40    33    54    50   0.35650  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    59  -0.84850  1.0 1.0
   40    33    54    59  -0.22800 -1.0 2.0
   40    33    54    59   0.29250  1.0 3.0
   40    44    47    51   0.63150 -1.0 2.0
   40    44    47    67   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    51    58   3.62500 -1.0 2.0
   44    47    67    64   3.62500 -1.0 2.0
   44    47    67    71   3.62500 -1.0 2.0
   47    51   -58    64   3.62500 -1.0 2.0
   47    67    71    72   0.00000  1.0 1.0
   47    67    71    73   0.00000  1.0 1.0
   47    67    71    74   0.00000  1.0 1.0
   51    47   -67    64   3.62500 -1.0 2.0
   51    47    67    71   3.62500 -1.0 2.0
   51    58   -64    67   3.62500 -1.0 2.0
   58    64   -67    47   3.62500 -1.0 2.0
   58    64    67    71   3.62500 -1.0 2.0
   64    67    71    72   0.00000  1.0 1.0
   64    67    71    73   0.00000  1.0 1.0
   64    67    71    74   0.00000  1.0 1.0
   67    47   -51    58   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   48    50    52    53  10.50000 -1.0 2.0
   54    52    50    45   1.00000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   57    62    56    48   1.00000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
   75    83    68    65   4.00000 -1.0 2.0
   77    76    75    68   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    84    83    68   1.10000 -1.0 2.0
   51    67    47    44   4.00000 -1.0 2.0
   64    71    67    47   4.00000 -1.0 2.0
END
