* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    150    222     438
    1     0 S   NP   _N1_     1    28.70418    94.00384   -20.12800
    2     1 S   H    _HN1     2     1.02839    29.19796   141.56515
    3     1 S   H    _H1_     3     1.02787    86.50358   -80.77595
    4     1 S   H    _H2_     4     1.02958    96.19111    27.24213
    5     1 S   CT   _CA1     5     1.50079   139.12220   158.72482
    6     5 S   HC   _HA1     6     1.09589   105.23460    50.29622
    7     5 S   CO3  _C1_     7     1.53726   112.38576   -69.76144
    8     7 S   O2Z  _O11     8     1.26317   115.12781   -47.47977
    9     7 S   O2Z  _O12     9     1.26299   114.81894   131.89882
   10     5 S   CT   _CB1    10     1.53090   107.43366   167.94646
   11    10 S   HC   HB11    11     1.09817   109.11933   -53.25074
   12    10 S   HC   HB12    12     1.09820   110.49443    63.20104
   13    10 S   CT   _CG1    13     1.52999   112.72664  -174.52969
   14    13 S   HC   HG11    14     1.09577   110.19717   -65.18091
   15    13 S   HC   HG12    15     1.09642   110.16328    54.03018
   16    13 S   C    _CD1    16     1.51799   112.35447   174.30247
   17    16 S   O    _OE1    17     1.22722   123.21817    -7.78898
   18    16 S   N    _N2_    18     1.38595   111.64263   172.85853
   19    18 S   H    _HN2    19     1.01619   118.99472     0.53814
   20    18 S   CT1  _CA2    20     1.46290   123.43172  -179.39380
   21    20 S   HC   _HA2    21     1.09728   109.44878   -10.75883
   22    20 S   C    _C2_    22     1.53416   108.18110  -126.44103
   23    22 S   O    _O2_    23     1.23011   122.30891  -144.93848
   24    20 S   CT   _CB2    32     1.53375   111.30317   111.40514
   25    24 S   HC   HB21    33     1.09482   109.34290    55.13448
   26    24 S   HC   HB22    34     1.09506   110.68316   173.87209
   27    22 S   N    _N3_    24     1.38534   113.34186    42.37818
   28    27 S   H    _HN3    25     1.01521   118.90193    -0.66086
   29    24 S   S    _SG2    35     1.82818   111.54822   -66.50296
   30    27 S   CT   _CA3    26     1.45442   123.44889   175.06382
   31    30 S   HC   HA31    27     1.09523   109.23856    24.52271
   32    30 S   HC   HA32    28     1.09496   107.12600   141.52514
   33    29 S   CT   _C18    36     1.84429    99.76576   166.16652
   34    33 S   HC   _H8_    37     1.09626   106.11189    48.91041
   35    30 S   CO3  _C3_    29     1.52926   113.09425   -98.95287
   36    35 S   O2Z  _O31    30     1.26405   115.40061   -44.85524
   37    35 S   O2Z  _O32    31     1.26356   114.99276   136.07719
   38    33 S   CA   _C7_    38     1.52112   111.59972   -69.85913
   39    33 S   CT   _C19    79     1.53494   109.92485   166.62175
   40    39 S   HC   _H23    80     1.09914   109.23946   172.38521
   41    39 S   HC   _H24    81     1.09840   110.90922    55.97154
   42    38 S   CA   _C6_    39     1.40914   121.76066   -58.11870
   43    42 S   HA   _H12    40     1.08656   118.48096    -1.52918
   44    39 S   CO3  _C20    82     1.53297   115.65627   -69.00153
   45    44 S   O2Z  _O42    83     1.26205   116.12627   -33.21926
   46    44 S   O2Z  _O41    84     1.26435   114.45591   148.01526
   47    42 S   CA   _C5_    41     1.39992   121.10707   178.36769
   48    47 S   CA   _C10    42     1.40007   118.98026     0.98218
   49    47 S   OS   _O33    74     1.37088   124.57073  -179.94405
   50    48 S   CA   _C9_    43     1.39755   120.36055     1.89093
   51    48 S   OS   _O34    51     1.37326   119.78043   179.58316
   52    49 S   CT   _C4_    75     1.42356   116.44825    20.79778
   53    52 S   HC   _H9_    76     1.09425   107.71811   168.49366
   54    52 S   HC   _H10    77     1.09535   111.52813    50.55002
   55    52 S   HC   _H11    78     1.09448   110.79688   -73.91203
   56    38 S   CA   _C8_    44     1.40245   119.35152   122.34040
   57    56 S   HA   _H13    45     1.08746   120.31335     0.08156
   58    50 S   OS   _O40    46     1.37105   120.99610  -179.68784
   59    51 S   CO   _C11    52     1.44229   110.82789    96.70779
   60    59 S   HC   _H3_    53     1.09953   109.98988    43.26909
   61    58 S   CT   _C17    47     1.42786   110.08613   -87.26037
   62    61 S   HC   _H20    48     1.09407   107.78560  -178.11581
   63    61 S   HC   _H21    49     1.09523   111.36926    63.63181
   64    61 S   HC   _H22    50     1.09570   111.17515   -59.87473
   65    59 S   CT   _C12    54     1.53414   107.15198   162.30415
   66    65 S   HC   _H4_    55     1.09678   110.01026    52.42376
   67    65 S   CT   _C13    56     1.53154   111.15744   174.33607
   68    67 S   HC   _H5_    57     1.09668   110.20689    73.66108
   69    65 S   OH   _O39    72     1.42954   109.96776   -64.33104
   70    69 S   HO   _H19    73     0.97246   108.20129   -58.69935
   71    67 S   CT   _C14    58     1.53274   111.43835   -49.05136
   72    71 S   HC   _H6_    59     1.09703   109.03680   -71.46791
   73    67 S   OH   _O38    70     1.42959   109.59944  -170.50783
   74    73 S   HO   _H18    71     0.97243   108.10371    61.03195
   75    71 S   CT   _C15    60     1.53169   110.66392    49.77445
   76    75 S   HC   _H7_    61     1.09825   111.02981    64.48860
   77    71 S   OH   _O37    68     1.42594   109.70527   171.68530
   78    77 S   HO   _H17    69     0.97249   108.19739   -58.25196
   79    59 S   OS   _O35    62     1.42877   110.72262   -78.18979
   80    75 S   CT   _C16    63     1.52886   111.77503  -174.29820
   81    80 S   HC   _H14    64     1.09543   110.77770    69.59597
   82    80 S   HC   _H15    65     1.09365   111.88846   -52.85802
   83    80 S   OH   _O36    66     1.42551   108.85479  -171.86062
   84    83 S   HO   _H16    67     0.97623   106.61452  -163.70257
  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   9   5   4   3
  14   7   2   1   1  13   7   4   3   9   4   2   1   1  11  12
   6   9  10   3   2   1   1   3   1   4  13   6   3   2   1   1
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    56    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    50    56    57    39    40    41    44    45    46  
   38    42    56    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    50    56    57    58    49    39    40    41    44  
   40    41    44    45    46    42    56  
   41    44    45    46  
   44    45    46  
   43    47    48    50    56    57    51    49    52  
   47    48    56    49  
   45    46  
   46  
    0  
   48    50    56    58    51    59    49    52    53    54    55  
   50    56    57    58    61    51    59    60    65    79    49    52  
   52    53    54    55    50    51  
   56    57    58    61    62    63    64    51    59  
   59    60    65    66    67    75    79    69    56    58  
   53    54    55  
   54    55  
   55  
    0  
   57    58    61  
   58  
   61    62    63    64  
   60    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    56   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   469.000  1.400
   47    49   450.000  1.364
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    56   469.000  1.400
   50    58   450.000  1.364
   56    57   367.000  1.080
   58    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    59   320.000  1.380
   59    60   340.000  1.090
   59    65   250.000  1.527
   59    79   320.000  1.380
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   320.000  1.410
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   320.000  1.410
   75    76   340.000  1.090
   75    79   320.000  1.410
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   553.000  0.945
   77    78   553.000  0.945
   73    74   553.000  0.945
   69    70   553.000  0.945
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    56    50    63.00000  120.00000
   38    56    57    35.00000  120.00000
   42    47    48    63.00000  120.00000
   42    47    49    70.00000  120.00000
   47    42    43    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    48    51    70.00000  120.00000
   47    49    52    75.00000  111.00000
   48    50    56    63.00000  120.00000
   48    50    58    70.00000  120.00000
   48    51    59   100.00000  112.36700
   50    56    57    35.00000  120.00000
   50    58    61    75.00000  111.00000
   56    38    42    63.00000  120.00000
   58    50    56    70.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    48    50    70.00000  120.00000
   51    59    60    35.00000  109.50000
   51    59    65    90.00000  108.56700
   51    59    79    92.60000  111.55000
   59    65    66    45.00000  108.72000
   59    65    67    75.00000  109.43000
   59    65    69    90.00000  111.58700
   59    79    75    60.00000  109.50000
   65    59    60    45.00000  112.01100
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    50.00000  109.50000
   65    69    70    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    50.00000  109.50000
   67    73    74    55.00000  108.50000
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    50.00000  109.50000
   71    75    80    58.35000  112.70000
   71    77    78    55.00000  108.50000
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    50.00000  109.50000
   79    59    60    35.00000  109.50000
   79    59    65    90.00000  108.56700
   79    75    76    35.00000  109.50000
   80    75    76    37.50000  110.70000
   80    75    79    50.00000  109.50000
   80    83    84    55.00000  108.50000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   77    71    72    35.00000  109.50000
   77    71    75    50.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    71    50.00000  109.50000
   69    65    66    35.00000  109.50000
   69    65    67    50.00000  109.50000
   49    47    48    70.00000  120.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    56    50   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   42    38    56    50   3.62500 -1.0 2.0
   42    38    56    57   3.62500 -1.0 2.0
   42    47   -48    50   3.62500 -1.0 2.0
   42    47    48    51   3.62500 -1.0 2.0
   42    47    49    52   1.63200 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    48    50    56   3.62500 -1.0 2.0
   47    48    50    58   3.62500 -1.0 2.0
   47    48    51    59   1.63200 -1.0 2.0
   47    49    52    53   0.08050  1.0 3.0
   47    49    52    54   0.08050  1.0 3.0
   47    49    52    55   0.08050  1.0 3.0
   48    47    49    52   1.63200 -1.0 2.0
   48    50   -56    38   3.62500 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   48    50    58    61   1.63200 -1.0 2.0
   48    51    59    60   0.08050  1.0 3.0
   48    51    59    65  -0.32850  1.0 1.0
   48    51    59    65  -0.35800 -1.0 2.0
   48    51    59    65   0.33950  1.0 3.0
   48    51    59    79  -0.25600  1.0 1.0
   48    51    59    79  -0.40050 -1.0 2.0
   48    51    59    79   0.34700  1.0 3.0
   50    48    51    59   1.63200 -1.0 2.0
   50    58    61    62   0.08050  1.0 3.0
   50    58    61    63   0.08050  1.0 3.0
   50    58    61    64   0.08050  1.0 3.0
   56    38    42    43   3.62500 -1.0 2.0
   56    38   -42    47   3.62500 -1.0 2.0
   56    50    58    61   1.63200 -1.0 2.0
   58    50    56    38   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   51    48    50    56   3.62500 -1.0 2.0
   51    48    50    58   3.62500 -1.0 2.0
   51    59    65    66   0.23400  1.0 3.0
   51    59    65    67   0.62750  1.0 1.0
   51    59    65    67  -0.30950 -1.0 2.0
   51    59    65    67   0.27300  1.0 3.0
   51    59    65    69   3.69350  1.0 1.0
   51    59    65    69  -1.82950 -1.0 2.0
   51    59    79    75  -0.81800  1.0 1.0
   59    65    67    68   0.15000  1.0 3.0
   59    65    67    71   3.97050  1.0 1.0
   59    65    67    73   0.86500  1.0 1.0
   59    65    67    73  -0.17500 -1.0 2.0
   59    65    67    73   0.20800  1.0 3.0
   59    65    69    70  -0.11600  1.0 1.0
   59    65    69    70  -0.09450 -1.0 2.0
   59    65    69    70   0.21250  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    69   0.23400  1.0 3.0
   60    59    79    75   0.37050  1.0 3.0
   65    59    79    75   0.06250  1.0 1.0
   65    59    79    75  -0.01100 -1.0 2.0
   65    59    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77   0.86500  1.0 1.0
   65    67    71    77  -0.17500 -1.0 2.0
   65    67    71    77   0.20800  1.0 3.0
   65    67    73    74  -0.11600  1.0 1.0
   65    67    73    74  -0.09450 -1.0 2.0
   65    67    73    74   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70  -0.11600  1.0 1.0
   67    65    69    70  -0.09450 -1.0 2.0
   67    65    69    70   0.21250  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78  -0.11600  1.0 1.0
   67    71    77    78  -0.09450 -1.0 2.0
   67    71    77    78   0.21250  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74  -0.11600  1.0 1.0
   71    67    73    74  -0.09450 -1.0 2.0
   71    67    73    74   0.21250  1.0 3.0
   71    75   -79    59   0.06250  1.0 1.0
   71    75   -79    59  -0.01100 -1.0 2.0
   71    75   -79    59   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83   0.86500  1.0 1.0
   71    75    80    83  -0.17500 -1.0 2.0
   71    75    80    83   0.20800  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78  -0.11600  1.0 1.0
   75    71    77    78  -0.09450 -1.0 2.0
   75    71    77    78   0.21250  1.0 3.0
   75    80    83    84  -0.11600  1.0 1.0
   75    80    83    84  -0.09450 -1.0 2.0
   75    80    83    84   0.21250  1.0 3.0
   76    75    79    59   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    59    65    66   0.23400  1.0 3.0
   79    59   -65    67   0.62750  1.0 1.0
   79    59   -65    67  -0.30950 -1.0 2.0
   79    59   -65    67   0.27300  1.0 3.0
   79    59    65    69   3.69350  1.0 1.0
   79    59    65    69  -1.82950 -1.0 2.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   3.69350  1.0 1.0
   79    75    80    83  -1.82950 -1.0 2.0
   80    75    79    59   0.06250  1.0 1.0
   80    75    79    59  -0.01100 -1.0 2.0
   80    75    79    59   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   3.69350  1.0 1.0
   77    71    75    79  -1.82950 -1.0 2.0
   77    71    75    80   0.86500  1.0 1.0
   77    71    75    80  -0.17500 -1.0 2.0
   77    71    75    80   0.20800  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   0.86500  1.0 1.0
   73    67    71    75  -0.17500 -1.0 2.0
   73    67    71    75   0.20800  1.0 3.0
   73    67    71    77   3.75450  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71   0.86500  1.0 1.0
   69    65    67    71  -0.17500 -1.0 2.0
   69    65    67    71   0.20800  1.0 3.0
   69    65    67    73   3.75450  1.0 1.0
   49    47    48    50   3.62500 -1.0 2.0
   49    47    48    51   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   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
   36    30    35    37  10.50000 -1.0 2.0
   42    56    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   48    49    47    42   4.00000 -1.0 2.0
   50    51    48    47   4.00000 -1.0 2.0
   56    58    50    48   4.00000 -1.0 2.0
   50    57    56    38   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
