* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    147    217     430
    1     0 S   NP   _N1_     1    28.89461    94.44137   -24.25235
    2     1 S   H    _HN1     2     1.02948    79.79345    10.19277
    3     1 S   H    _H1_     3     1.02827    27.82729   179.01902
    4     1 S   H    _H2_     4     1.02795   112.71852   -95.57429
    5     1 S   CT   _CA1     5     1.50131   127.24144   118.16244
    6     5 S   HC   _HA1     6     1.09574   105.16051    85.10833
    7     5 S   CO3  _C1_     7     1.53769   112.43023   -35.08920
    8     7 S   O2Z  _O11     8     1.26376   115.00534   -43.12219
    9     7 S   O2Z  _O12     9     1.26234   114.94401   135.84808
   10     5 S   CT   _CB1    10     1.53056   107.39753  -156.94306
   11    10 S   HC   HB11    11     1.09841   109.32679   -49.40741
   12    10 S   HC   HB12    12     1.09810   110.48206    67.18443
   13    10 S   CT   _CG1    13     1.53020   112.64048  -170.33891
   14    13 S   HC   HG11    14     1.09570   110.72304   -67.24026
   15    13 S   HC   HG12    15     1.09669   109.70636    52.00937
   16    13 S   C    _CD1    16     1.51816   111.98578   172.48036
   17    16 S   O    _OE1    17     1.22758   123.17317    11.94539
   18    16 S   N    _N2_    18     1.38634   111.84143  -168.00132
   19    18 S   H    _HN2    19     1.01571   119.03076     0.92281
   20    18 S   CT1  _CA2    20     1.46233   123.41540   176.90313
   21    20 S   HC   _HA2    21     1.09740   109.26542     8.98951
   22    20 S   C    _C2_    22     1.53713   109.01528  -106.61356
   23    22 S   O    _O2_    23     1.23105   122.20487  -149.23586
   24    20 S   CT   _CB2    32     1.53447   111.60242   131.01823
   25    24 S   HC   HB21    33     1.09502   109.63087    57.25688
   26    24 S   HC   HB22    34     1.09369   109.52237   175.90614
   27    22 S   N    _N3_    24     1.38294   113.96532    38.26314
   28    27 S   H    _HN3    25     1.01533   119.64685    -3.09585
   29    24 S   S    _SG2    35     1.83186   111.16784   -64.58042
   30    27 S   CT   _CA3    26     1.45275   123.25566   177.23749
   31    30 S   HC   HA31    27     1.09548   107.50820   -64.97671
   32    30 S   HC   HA32    28     1.09557   108.00094    51.47646
   33    29 S   CT   _C13    36     1.87179   102.06300   170.25037
   34    33 S   OM   _O36    37     1.32127   107.58711   -65.65373
   35    30 S   CO3  _C3_    29     1.52967   114.06260   173.49470
   36    35 S   O2Z  _O31    30     1.26381   116.09727    -0.03426
   37    35 S   O2Z  _O32    31     1.26426   114.40761  -180.00000
   38    33 S   CT   _C12    38     1.54395   106.47871   179.19424
   39    38 S   HC   _H11    39     1.09919   112.16990   168.48113
   40    38 S   HC   _H12    40     1.09997   112.02897    49.70442
   41    38 S   CO4  _C11    41     1.51347   111.78320   -72.11258
   42    41 S   O    _O35    42     1.23169   121.33367   133.50746
   43    41 S   CT   _C10    43     1.51264   117.19513   -52.56938
   44    43 S   HC   _H9_    44     1.09675   106.82310   170.04699
   45    43 S   HC   _H10    45     1.09467   107.18701   -74.40833
   46    43 S   CT   _C9_    46     1.53479   112.53424    48.91436
   47    33 S   CT   _C8_    47     1.57008   113.72681    57.65761
   48    47 S   HC   _H3_    48     1.09914   108.64400   -51.06344
   49    46 S   CT   _C14    60     1.54899   111.42346  -170.99593
   50    49 S   HC   _H13    61     1.09811   110.00824  -179.62938
   51    49 S   HC   _H14    62     1.09507   112.16871    62.11522
   52    46 S   OH   _O40    80     1.43618   106.61747    73.60014
   53    52 S   HO   _H22    81     0.97220   108.35960   177.85260
   54    47 S   CO4  _C7_    49     1.55088   111.71955  -166.34183
   55    54 S   O    _O34    50     1.23074   121.86205   -76.07491
   56    49 S   CO4  _C15    63     1.52158   113.88889   -60.71754
   57    56 S   O    _O37    64     1.23144   120.87542   -82.29824
   58    54 S   CT   _C6_    51     1.51849   116.02373   106.76801
   59    58 S   HC   _H7_    52     1.09533   106.77623    75.42436
   60    58 S   HC   _H8_    53     1.09460   109.16864   -42.18933
   61    56 S   CT   _C16    65     1.51408   117.18000   100.25172
   62    61 S   HC   _H15    66     1.09410   109.75522   -25.34276
   63    61 S   HC   _H16    67     1.09489   106.76920    92.10412
   64    58 S   CO4  _C5_    54     1.51362   116.46701  -163.25823
   65    64 S   O    _O33    55     1.22963   123.25154    19.38914
   66    61 S   CO4  _C17    68     1.51459   115.30785  -146.24543
   67    66 S   O    _O38    69     1.23015   121.96973    22.19189
   68    64 S   CT   _C4_    56     1.50731   116.03257  -163.06412
   69    68 S   HC   _H4_    57     1.09282   109.62334    60.37537
   70    68 S   HC   _H5_    58     1.09358   109.74049   179.70859
   71    68 S   HC   _H6_    59     1.09275   109.54916   -60.71114
   72    66 S   CT   _C18    70     1.51548   116.00245  -162.81833
   73    72 S   HC   _H17    71     1.09558   108.84724    40.36648
   74    72 S   HC   _H18    72     1.09545   106.57411   -76.78194
   75    72 S   CO4  _C19    73     1.51055   114.88655   160.19244
   76    75 S   O    _O39    74     1.22477   123.83130   -32.39654
   77    75 S   S    _S1_    75     1.76657   113.72667   150.55289
   78    77 S   CT   _C20    76     1.80610   100.30612  -178.28308
   79    78 S   HC   _H19    77     1.09324   109.27361   179.25559
   80    78 S   HC   _H20    78     1.09339   110.51771    59.91386
   81    78 S   HC   _H21    79     1.09337   110.53630   -61.41718
  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  11   5   4   8   4  12   5   4  13  13   5
  11   5   4   3   1   7   4   7   4   8   4   3   8   4   3   5
   4   7   4   3   2   1   1   6   4   3   6   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    47    48    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    54    55    58    49    52  
   38    39    40    41    46    47    48    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    48    54  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47    49    52  
   43    44    45    46  
   44    45    46    47    48    54    49    50    51    56    52    53  
   45    46    47    49    52  
   46    47    49    52  
   47    48    54    55    58    49    50    51    56    57    61    52    53  
   48    54    55    58    59    60    64    49    50    51    56    52    53  
   54    55    58    49    52  
   50    51    56    57    61    62    63    66    52    53    54  
   51    56    57    61    52  
   56    57    61    52  
   53    54    56  
    0  
   55    58    59    60    64    65    68  
   58    59    60    64  
   57    61    62    63    66    67    72  
   61    62    63    66  
   59    60    64    65    68    69    70    71  
   60    64    65    68  
   64    65    68  
   62    63    66    67    72    73    74    75  
   63    66    67    72  
   66    67    72  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    75    76    77  
   72    73    74    75  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81  
   77    78  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   78   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   570.000  1.307
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    49   268.000  1.529
   46    52   320.000  1.410
   47    48   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.522
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   317.000  1.522
   66    67   570.000  1.229
   66    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.522
   75    76   570.000  1.229
   75    77   210.000  1.799
   77    78   222.000  1.810
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   52    53   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    54    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    58.35000  112.70000
   43    46    49    58.35000  112.70000
   43    46    52    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    54    63.00000  111.10000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    63.00000  111.10000
   46    52    53    55.00000  108.50000
   47    33    34    50.00000  109.50000
   47    33    38    58.35000  112.70000
   47    54    55    80.00000  120.40000
   47    54    58    70.00000  116.00000
   54    47    48    35.00000  109.50000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    64    75.00000  107.99600
   58    54    55    80.00000  120.40000
   58    64    65    80.00000  120.40000
   58    64    68    70.00000  116.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   49    46    47    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    61    70.00000  116.00000
   51    49    50    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    51    35.00000  109.50000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    66    75.00000  107.99600
   61    56    57    80.00000  120.40000
   61    66    67    80.00000  120.40000
   61    66    72    70.00000  116.00000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    75.00000  107.99600
   72    66    67    80.00000  120.40000
   72    75    76    80.00000  120.40000
   72    75    77    70.00000  114.16300
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    90.00000   96.72000
   77    75    76    80.00000  121.30200
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   52    46    47    50.00000  109.50000
   52    46    49    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    46   0.44750  1.0 1.0
   29    33    47    46  -0.17800 -1.0 2.0
   29    33    47    46   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    54   0.56750  1.0 1.0
   29    33    47    54  -0.07550 -1.0 2.0
   29    33    47    54   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    47    54    55   0.30150 -1.0 2.0
   33    47    54    58   0.60050  1.0 1.0
   33    47    54    58   0.05600 -1.0 2.0
   33    47    54    58   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.09450  1.0 1.0
   34    33    38    41  -1.12950 -1.0 2.0
   34    33    38    41   0.54000  1.0 3.0
   34    33    47    46   0.62750  1.0 1.0
   34    33    47    46  -0.30950 -1.0 2.0
   34    33    47    46   0.27300  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    54  -0.09450  1.0 1.0
   34    33    47    54  -1.12950 -1.0 2.0
   34    33    47    54   0.54000  1.0 3.0
   38    33    47    46   0.56750  1.0 1.0
   38    33    47    46  -0.07550 -1.0 2.0
   38    33    47    46   0.20000  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    54  -0.95700  1.0 1.0
   38    33    47    54  -0.18200 -1.0 2.0
   38    33    47    54   0.29450  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.95700  1.0 1.0
   41    43    46    47  -0.18200 -1.0 2.0
   41    43    46    47   0.29450  1.0 3.0
   41    43    46    49  -0.95700  1.0 1.0
   41    43    46    49  -0.18200 -1.0 2.0
   41    43    46    49   0.29450  1.0 3.0
   41    43    46    52  -0.09450  1.0 1.0
   41    43    46    52  -1.12950 -1.0 2.0
   41    43    46    52   0.54000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -47    33   0.56750  1.0 1.0
   43    46   -47    33  -0.07550 -1.0 2.0
   43    46   -47    33   0.20000  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    54  -0.95700  1.0 1.0
   43    46    47    54  -0.18200 -1.0 2.0
   43    46    47    54   0.29450  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    56  -0.95700  1.0 1.0
   43    46    49    56  -0.18200 -1.0 2.0
   43    46    49    56   0.29450  1.0 3.0
   43    46    52    53  -0.11600  1.0 1.0
   43    46    52    53  -0.09450 -1.0 2.0
   43    46    52    53   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   44    43    46    52   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   45    43    46    52   0.23400  1.0 3.0
   46    47    54    55   0.30150 -1.0 2.0
   46    47    54    58   0.60050  1.0 1.0
   46    47    54    58   0.05600 -1.0 2.0
   46    47    54    58   0.26150  1.0 3.0
   46    49    56    57   0.30150 -1.0 2.0
   46    49    56    61   0.60050  1.0 1.0
   46    49    56    61   0.05600 -1.0 2.0
   46    49    56    61   0.26150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    56  -0.95700  1.0 1.0
   47    46    49    56  -0.18200 -1.0 2.0
   47    46    49    56   0.29450  1.0 3.0
   47    46    52    53  -0.11600  1.0 1.0
   47    46    52    53  -0.09450 -1.0 2.0
   47    46    52    53   0.21250  1.0 3.0
   47    54    58    59   0.00000  1.0 1.0
   47    54    58    60   0.00000  1.0 1.0
   47    54    58    64   0.65300  1.0 1.0
   47    54    58    64  -0.03850 -1.0 2.0
   47    54    58    64   0.33900  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    58   0.00000  1.0 1.0
   54    58    64    65   0.30150 -1.0 2.0
   54    58    64    68   0.65300  1.0 1.0
   54    58    64    68  -0.03850 -1.0 2.0
   54    58    64    68   0.33900  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    64   0.30150 -1.0 2.0
   58    64    68    69   0.00000  1.0 1.0
   58    64    68    70   0.00000  1.0 1.0
   58    64    68    71   0.00000  1.0 1.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    68   0.00000  1.0 1.0
   60    58    64    65   0.00000  1.0 1.0
   60    58    64    68   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    71   0.00000  1.0 1.0
   49    46    47    33   0.56750  1.0 1.0
   49    46    47    33  -0.07550 -1.0 2.0
   49    46    47    33   0.20000  1.0 3.0
   49    46    47    48   0.15000  1.0 3.0
   49    46    47    54  -0.95700  1.0 1.0
   49    46    47    54  -0.18200 -1.0 2.0
   49    46    47    54   0.29450  1.0 3.0
   49    46    52    53  -0.11600  1.0 1.0
   49    46    52    53  -0.09450 -1.0 2.0
   49    46    52    53   0.21250  1.0 3.0
   49    56    61    62   0.00000  1.0 1.0
   49    56    61    63   0.00000  1.0 1.0
   49    56    61    66   0.65300  1.0 1.0
   49    56    61    66  -0.03850 -1.0 2.0
   49    56    61    66   0.33900  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    61   0.00000  1.0 1.0
   51    49    56    57   0.00000  1.0 1.0
   51    49    56    61   0.00000  1.0 1.0
   56    61    66    67   0.30150 -1.0 2.0
   56    61    66    72   0.65300  1.0 1.0
   56    61    66    72  -0.03850 -1.0 2.0
   56    61    66    72   0.33900  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    66   0.30150 -1.0 2.0
   61    66    72    73   0.00000  1.0 1.0
   61    66    72    74   0.00000  1.0 1.0
   61    66    72    75   0.65300  1.0 1.0
   61    66    72    75  -0.03850 -1.0 2.0
   61    66    72    75   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    72   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    72   0.00000  1.0 1.0
   66    72    75    76   0.30150 -1.0 2.0
   66    72    75    77   0.00000  1.0 1.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   67    66    72    75   0.30150 -1.0 2.0
   72    75    77    78  -0.11550  1.0 1.0
   72    75    77    78   1.88700 -1.0 2.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    78    79   0.24000  1.0 3.0
   75    77    78    80   0.24000  1.0 3.0
   75    77    78    81   0.24000  1.0 3.0
   76    75    77    78  -0.11550  1.0 1.0
   76    75    77    78   1.88700 -1.0 2.0
   52    46    47    33   0.86500  1.0 1.0
   52    46    47    33  -0.17500 -1.0 2.0
   52    46    47    33   0.20800  1.0 3.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    54  -0.09450  1.0 1.0
   52    46    47    54  -1.12950 -1.0 2.0
   52    46    47    54   0.54000  1.0 3.0
   52    46    49    50   0.23400  1.0 3.0
   52    46    49    51   0.23400  1.0 3.0
   52    46    49    56  -0.09450  1.0 1.0
   52    46    49    56  -1.12950 -1.0 2.0
   52    46    49    56   0.54000  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
   38    43    41    42  10.50000 -1.0 2.0
   47    58    54    55  10.50000 -1.0 2.0
   58    68    64    65  10.50000 -1.0 2.0
   49    61    56    57  10.50000 -1.0 2.0
   61    72    66    67  10.50000 -1.0 2.0
   72    77    75    76  10.50000 -1.0 2.0
END
