* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    148    227     433
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02108   106.19290   -23.82531
    3     1 S   H    _H1_     3     1.02077    61.81349    79.07523
    4     1 S   H    _H2_     4     1.02153    50.45905  -124.97121
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.80605    98.11764   -78.20712
   34    33 S   HC   _H17    37     1.09150   106.79765   -60.03064
   35    33 S   HC   _H18    38     1.09471   107.53189    56.55578
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C19    39     1.53030   111.16736   177.88095
   40    39 S   HC   _H5_    40     1.09707   111.45892   -36.62607
   41    39 S   CT   _C18    41     1.54269   113.33148  -160.82892
   42    41 S   HC   _H4_    42     1.09598   109.50163   179.97202
   43    39 S   OS   _O35    79     1.43367   108.82441    81.20304
   44    41 S   CT   _C17    43     1.54133   114.87346    55.94970
   45    44 S   HC   _H3_    44     1.09527   109.51525   -73.38412
   46    41 S   OH   _O38    77     1.43290   107.59380   -64.58814
   47    46 S   HO   _H20    78     0.96758   106.11506   -55.34642
   48    43 S   PR   _P1_    80     1.61653   115.83116  -159.98093
   49    48 S   OM   _O36    81     1.46011    97.54473   149.98497
   50    44 S   CT   _C16    45     1.53798   114.50615   163.95132
   51    50 S   HC   _H15    46     1.09775   110.44084  -159.97029
   52    50 S   HC   _H16    47     1.09999   109.10263   -46.29303
   53    44 S   OH   _O39    75     1.42966   109.26782    43.06529
   54    53 S   HO   _H21    76     0.96797   106.33823   -55.09609
   55    48 S   OH   _O37    82     1.61867    98.12814  -110.90435
   56    55 S   HO   _H19    83     0.98100   110.39828   -98.84171
   57    50 S   NE   _N4_    48     1.50610   113.84621    74.98156
   58    57 S   CA   _C8_    49     1.34625   118.67993    79.98697
   59    57 S   CDX  _C12    59     1.35432   116.87177  -100.01720
   60    58 S   CA   _C9_    50     1.39892   120.37154     0.00000
   61    60 S   HA   _H10    51     1.08646   121.92819     0.04846
   62    59 S   NI   _N7_    60     1.35578   119.16205    -0.02798
   63    60 S   CA   _C10    52     1.39101   119.81995  -179.97202
   64    62 S   C    _C15    61     1.33110   119.66962  -179.96574
   65    64 S   O    _O34    62     1.22346   127.36794  -179.92598
   66    63 S   CA   _C5_    53     1.39156   119.66997    -0.06853
   67    64 S   N    _N6_    63     1.55872   120.06244    -0.00000
   68    67 S   H    _H14    64     1.01926   119.96709  -179.94766
   69    63 S   CT   _C11    71     1.49344   119.27919  -180.00000
   70    69 S   HC   _H11    72     1.09591   110.30486    89.99863
   71    69 S   HC   _H12    73     1.09734   111.15223  -149.50675
   72    69 S   HC   _H13    74     1.09718   111.19261   -30.52227
   73    66 S   CA   _C6_    54     1.39838   120.14924     0.05595
   74    73 S   HA   _H9_    55     1.08851   119.34954  -179.90309
   75    83 S   C    _C14    65     1.46117   114.21272  -179.95577
   76    75 S   O    _O33    66     1.21400   128.70246    -0.06853
   77    66 S   CT   _C4_    67     1.49379   120.92519   179.96574
   78    77 S   HC   _H6_    68     1.09565   110.28199   -89.94124
   79    77 S   HC   _H7_    69     1.09709   111.14139    30.61268
   80    77 S   HC   _H8_    70     1.09675   111.15521   149.57981
   81    58 S   CA   _C7_    56     1.40736   118.37660   179.96044
   82    81 S   NI   _N5_    57     1.34052   120.96120     0.05595
   83    82 S   CD   _C13    58     1.35025   117.27851    -0.06853
  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   7   5   4   3
  10   5   4   2   1   1  13   6  13   7   6  11   7   3   1   3
   2  11   5   4   2   1   1   1  12  12  10  11   4   7  12   6
   3  12   5   3   5   2   1   1   8   3   4   2   4   2   1   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    46    43    48  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    50    53    46    47    43    48    49    55  
   41    42    44    46    43    48  
   42    44    45    50    51    52    57    53    54    46    47    43    48  
   44    45    50    53    46    47    43  
   48    49    55    56    44    46  
   45    50    51    52    57    58    59    53    54    46    47  
   50    51    52    57    53    54    46  
   47    50    53  
    0  
   49    55    56  
   55    56  
   51    52    57    58    60    81    83    59    62    53    54  
   52    57    58    59    53  
   57    58    59    53  
   54    57  
    0  
   56  
    0  
   58    60    61    63    73    81    82    83    59    62    64    75  
   60    61    63    66    73    74    81    82    83    59    62    69  
   62    64    65    67    75    76    60    81    82    83  
   61    63    66    73    81    82    77    69    70    71    72  
   63    66    81    69  
   64    65    67    68    75    82    83  
   66    73    74    81    77    78    79    80    69    70    71    72  
   65    67    68    75    76    83  
   67    68    75  
   73    74    81    82    77    78    79    80    69    70    71    72  
   68    75    76    82    83  
   75    76    83  
   70    71    72    73    77  
   71    72  
   72  
    0  
   74    81    82    83    77    78    79    80  
   81    82    77  
   76    81    82    83  
   82    83  
   78    79    80    81  
   79    80  
   80  
    0  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.712500   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.1200   0.1700  -0.930500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.2500   0.1700  -0.197700   1.9050   1.6860   0.051222218  -2.220205820
   58   3.5500   0.0700   0.100200   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.536200   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   77   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.078800   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2800   0.1700  -0.468500   1.8540   1.6400   0.005000000   0.000000000
   83   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   320.000  1.410
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   382.000  1.448
   57    58   481.000  1.340
   57    59   445.000  1.380
   58    60   469.000  1.400
   58    81   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    66   469.000  1.400
   63    69   317.000  1.510
   66    73   469.000  1.400
   66    77   317.000  1.510
   73    74   367.000  1.080
   73    81   469.000  1.400
   81    82   400.000  1.385
   82    83   500.000  1.261
   83    59   270.000  1.479
   83    75   270.000  1.486
   59    62   650.000  1.285
   62    64   415.000  1.368
   64    65   570.000  1.229
   64    67   490.000  1.335
   67    68   434.000  1.010
   67    75   490.000  1.335
   75    76   570.000  1.229
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   53    54   553.000  0.945
   46    47   553.000  0.945
   43    48   325.000  1.672
   48    49   325.000  1.672
   48    55   325.000  1.672
   55    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    43    48   100.00000  120.50000
   41    39    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    50    58.35000  112.70000
   41    44    53    50.00000  109.50000
   41    46    47    55.00000  108.50000
   44    41    42    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    57    80.00000  111.61500
   44    53    54    55.00000  108.50000
   50    44    45    37.50000  110.70000
   50    57    58    50.00000  120.00000
   50    57    59    50.00000  119.50000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    58    60    70.00000  120.10000
   57    58    81    70.00000  120.10000
   57    59    83    75.00000  117.28700
   57    59    62    75.00000  124.36500
   58    60    61    35.00000  120.00000
   58    60    63    63.00000  120.00000
   58    81    73    63.00000  120.00000
   58    81    82    70.00000  120.44500
   60    63    66    63.00000  120.00000
   60    63    69    70.00000  120.00000
   63    60    61    35.00000  120.00000
   63    66    73    63.00000  120.00000
   63    66    77    70.00000  120.00000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    35.00000  109.50000
   66    73    74    35.00000  120.00000
   66    73    81    63.00000  120.00000
   66    77    78    35.00000  109.50000
   66    77    79    35.00000  109.50000
   66    77    80    35.00000  109.50000
   73    81    82    70.00000  120.44500
   81    58    60    63.00000  120.00000
   81    73    74    35.00000  120.00000
   81    82    83    70.00000  113.96500
   82    83    59    65.00000  122.46400
   82    83    75    65.00000  123.79500
   83    59    62    65.00000  122.46400
   83    75    67    75.00000  109.57000
   83    75    76    80.00000  120.45000
   59    57    58    50.00000  129.40000
   59    62    64    75.00000  109.13600
   62    64    65    80.00000  126.08800
   62    64    67    90.00000  112.94000
   64    67    68    35.00000  119.80000
   64    67    75    70.00000  121.37400
   67    64    65    80.00000  122.90000
   67    75    76    80.00000  122.90000
   75    83    59    70.00000  118.70000
   75    67    68    35.00000  119.80000
   77    66    73    70.00000  120.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   69    63    66    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    50    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    44    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
   43    48    49    45.00000  102.60000
   43    48    55    45.00000  102.60000
   48    55    56    45.00000  108.50000
   55    48    49    35.00000   94.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    43    48  -2.65550  1.0 1.0
   33    39    43    48  -0.22350 -1.0 2.0
   33    39    43    48   0.24150  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    50   0.56750  1.0 1.0
   39    41    44    50  -0.07550 -1.0 2.0
   39    41    44    50   0.20000  1.0 3.0
   39    41    44    53   0.86500  1.0 1.0
   39    41    44    53  -0.17500 -1.0 2.0
   39    41    44    53   0.20800  1.0 3.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   39    43    48    49   0.05050  1.0 1.0
   39    43    48    49  -1.30700 -1.0 2.0
   39    43    48    49   0.91550  1.0 3.0
   39    43    48    55   0.05050  1.0 1.0
   39    43    48    55  -1.30700 -1.0 2.0
   39    43    48    55   0.91550  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    43    48   0.03000  1.0 3.0
   41    39    43    48  -2.65550  1.0 1.0
   41    39    43    48  -0.22350 -1.0 2.0
   41    39    43    48   0.24150  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    57   1.26750  1.0 1.0
   41    44    50    57  -0.00950 -1.0 2.0
   41    44    50    57   0.30600  1.0 3.0
   41    44    53    54  -0.11600  1.0 1.0
   41    44    53    54  -0.09450 -1.0 2.0
   41    44    53    54   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    50   0.15000  1.0 3.0
   42    41    44    53   0.23400  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   44    41    46    47  -0.11600  1.0 1.0
   44    41    46    47  -0.09450 -1.0 2.0
   44    41    46    47   0.21250  1.0 3.0
   44    50    57    58  -0.12500  1.0 1.0
   44    50    57    58  -0.12500 -1.0 2.0
   44    50    57    58   0.25000  1.0 3.0
   44    50    57    59   0.38950  1.0 1.0
   44    50    57    59  -0.47050 -1.0 2.0
   44    50    57    59   0.83150  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    57   0.22950  1.0 3.0
   45    44    53    54   0.19450  1.0 3.0
   50    44    53    54  -0.11600  1.0 1.0
   50    44    53    54  -0.09450 -1.0 2.0
   50    44    53    54   0.21250  1.0 3.0
   50    57    58    60  -1.00000  1.0 1.0
   50    57    58    60   1.25000 -1.0 2.0
   50    57    58    81  -1.00000  1.0 1.0
   50    57    58    81   1.25000 -1.0 2.0
   50    57    59    83  -0.54700  1.0 1.0
   50    57    59    83   1.23000 -1.0 2.0
   50    57    59    62  -0.86000  1.0 1.0
   50    57    59    62   0.84650 -1.0 2.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    59   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    59   0.00000  1.0 1.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    63   3.62500 -1.0 2.0
   57    58    81    73   3.62500 -1.0 2.0
   57    58    81    82   3.62500 -1.0 2.0
   57    59    62    64   6.00000 -1.0 2.0
   58    57    59    83  -0.54500  1.0 1.0
   58    57    59    83   1.14150 -1.0 2.0
   58    57    59    62  -1.45100  1.0 1.0
   58    57    59    62   1.83200 -1.0 2.0
   58    60    63    66   3.62500 -1.0 2.0
   58    60    63    69   3.62500 -1.0 2.0
   58    81   -82    83   1.25000 -1.0 2.0
   60    58    81    73   3.62500 -1.0 2.0
   60    58    81    82   3.62500 -1.0 2.0
   60    63   -66    73   3.62500 -1.0 2.0
   60    63    66    77   3.62500 -1.0 2.0
   60    63    69    70   0.00000  1.0 1.0
   60    63    69    71   0.00000  1.0 1.0
   60    63    69    72   0.00000  1.0 1.0
   61    60    63    66   3.62500 -1.0 2.0
   61    60    63    69   3.62500 -1.0 2.0
   63    66    73    74   3.62500 -1.0 2.0
   63    66    73    81   3.62500 -1.0 2.0
   63    66    77    78   0.00000  1.0 1.0
   63    66    77    79   0.00000  1.0 1.0
   63    66    77    80   0.00000  1.0 1.0
   66    63    69    70   0.00000  1.0 1.0
   66    63    69    71   0.00000  1.0 1.0
   66    63    69    72   0.00000  1.0 1.0
   66    73   -81    58   3.62500 -1.0 2.0
   66    73    81    82   3.62500 -1.0 2.0
   73    66    77    78   0.00000  1.0 1.0
   73    66    77    79   0.00000  1.0 1.0
   73    66    77    80   0.00000  1.0 1.0
   73    81    82    83   1.25000 -1.0 2.0
   74    73    81    58   3.62500 -1.0 2.0
   74    73    81    82   3.62500 -1.0 2.0
   81    58    60    61   3.62500 -1.0 2.0
   81    58   -60    63   3.62500 -1.0 2.0
   81    82    83    59   6.00000 -1.0 2.0
   81    82    83    75   6.00000 -1.0 2.0
   82    83   -59    57   7.00000 -1.0 2.0
   82    83    59    62   7.00000 -1.0 2.0
   82    83    75    67   1.50000 -1.0 2.0
   82    83    75    76   1.00000 -1.0 2.0
   83    59    62    64   6.00000 -1.0 2.0
   59    57    58    60  -0.02750  1.0 1.0
   59    57    58    60   0.06100 -1.0 2.0
   59    57   -58    81  -0.02750  1.0 1.0
   59    57   -58    81   0.06100 -1.0 2.0
   59    83    75    67   1.50000 -1.0 2.0
   59    83    75    76   1.00000 -1.0 2.0
   59    62    64    65   3.09300 -1.0 2.0
   59    62   -64    67  -5.73250  1.0 1.0
   59    62   -64    67   0.67550 -1.0 2.0
   62    64    67    68   2.56700 -1.0 2.0
   62    64    67    75   2.00000 -1.0 2.0
   64    67   -75    83   2.45000 -1.0 2.0
   64    67    75    76   2.22250 -1.0 2.0
   65    64    67    68   2.45000 -1.0 2.0
   65    64    67    75   2.22250 -1.0 2.0
   68    67    75    83   2.56700 -1.0 2.0
   68    67    75    76   2.45000 -1.0 2.0
   75    83    59    57   7.00000 -1.0 2.0
   75    83   -59    62   7.00000 -1.0 2.0
   77    66    73    74   3.62500 -1.0 2.0
   77    66    73    81   3.62500 -1.0 2.0
   69    63    66    73   3.62500 -1.0 2.0
   69    63    66    77   3.62500 -1.0 2.0
   53    44    50    51   0.23400  1.0 3.0
   53    44    50    52   0.23400  1.0 3.0
   53    44    50    57   4.07950  1.0 1.0
   53    44    50    57  -0.26450 -1.0 2.0
   53    44    50    57  -0.12150  1.0 3.0
   46    41    44    45   0.23400  1.0 3.0
   46    41    44    50   0.86500  1.0 1.0
   46    41    44    50  -0.17500 -1.0 2.0
   46    41    44    50   0.20800  1.0 3.0
   46    41    44    53   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    44   0.62750  1.0 1.0
   43    39    41    44  -0.30950 -1.0 2.0
   43    39    41    44   0.27300  1.0 3.0
   43    39    41    46   3.69350  1.0 1.0
   43    39    41    46  -1.82950 -1.0 2.0
   43    48    55    56   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   58    59    57    50   1.00000 -1.0 2.0
   60    81    58    57   4.00000 -1.0 2.0
   63    61    60    58   1.10000 -1.0 2.0
   66    69    63    60   4.00000 -1.0 2.0
   73    77    66    63   4.00000 -1.0 2.0
   81    74    73    66   1.10000 -1.0 2.0
   73    82    81    58   4.00000 -1.0 2.0
   59    75    83    82  10.50000 -1.0 2.0
   57    83    59    62  10.50000 -1.0 2.0
   62    67    64    65  10.50000 -1.0 2.0
   68    64    67    75   1.00000 -1.0 2.0
   83    67    75    76  10.50000 -1.0 2.0
END
