* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    219     427
    1     0 S   NP   _N1_     1    29.36339    98.35143   -20.90164
    2     1 S   H    _HN1     2     1.02929    60.50067     6.60275
    3     1 S   H    _H1_     3     1.02826    55.00411   150.86801
    4     1 S   H    _H2_     4     1.02785    95.67363  -101.34695
    5     1 S   CT   _CA1     5     1.50051   152.14410    84.54654
    6     5 S   HC   _HA1     6     1.09581   105.12320   112.50160
    7     5 S   CO3  _C1_     7     1.53788   112.40066    -7.43630
    8     7 S   O2Z  _O11     8     1.26349   115.08484   -46.86445
    9     7 S   O2Z  _O12     9     1.26287   115.07544   132.23402
   10     5 S   CT   _CB1    10     1.53215   107.41310  -129.76393
   11    10 S   HC   HB11    11     1.09814   109.29239   -51.24982
   12    10 S   HC   HB12    12     1.09784   110.73583    65.58261
   13    10 S   CT   _CG1    13     1.52799   112.06803  -172.15457
   14    13 S   HC   HG11    14     1.09448   110.29779   -69.45113
   15    13 S   HC   HG12    15     1.09428   109.15872    49.55921
   16    13 S   C    _CD1    16     1.51673   113.08621   169.70382
   17    16 S   O    _OE1    17     1.22729   123.12851    10.17576
   18    16 S   N    _N2_    18     1.38863   111.74434  -169.60168
   19    18 S   H    _HN2    19     1.01769   118.86773    -0.26244
   20    18 S   CT1  _CA2    20     1.46112   123.27144   175.89420
   21    20 S   HC   _HA2    21     1.09714   109.07961     6.73196
   22    20 S   C    _C2_    22     1.53691   109.19640  -109.10466
   23    22 S   O    _O2_    23     1.23127   121.82024  -150.39311
   24    20 S   CT   _CB2    32     1.53455   112.35380   128.62637
   25    24 S   HC   HB21    33     1.09510   110.51592    65.47997
   26    24 S   HC   HB22    34     1.09578   109.81081  -177.26033
   27    22 S   N    _N3_    24     1.38360   114.23551    36.61712
   28    27 S   H    _HN3    25     1.01437   119.22505    -0.13706
   29    24 S   S    _SG2    35     1.82748   112.58269   -58.28317
   30    27 S   CT   _CA3    26     1.45421   123.20410   176.37761
   31    30 S   HC   HA31    27     1.09551   108.84577    31.10653
   32    30 S   HC   HA32    28     1.09494   107.17388   147.94266
   33    29 S   CT   _C6_    36     1.83183    99.55213   115.69978
   34    33 S   HC   _H3_    37     1.09438   106.62999   -39.49963
   35    30 S   CO3  _C3_    29     1.52925   113.45017   -92.15856
   36    35 S   O2Z  _O31    30     1.26384   115.57564   -42.54871
   37    35 S   O2Z  _O32    31     1.26394   114.89891   138.40065
   38    33 S   CO4  _C5_    38     1.51703   110.60234    77.31350
   39    38 S   O    _O34    39     1.22330   125.94763    24.39308
   40    33 S   CT   _C7_    45     1.53112   110.62695  -160.00181
   41    40 S   HC   _H9_    46     1.09778   111.07919  -149.28761
   42    40 S   HC   _H10    47     1.09658   112.93550   -30.75485
   43    38 S   OS   _O33    40     1.36916   108.77859  -156.71509
   44    40 S   C    _C8_    48     1.51595   110.02318    91.21198
   45    44 S   O    _O35    49     1.22798   121.69842   -94.53707
   46    43 S   CT   _C4_    41     1.43060   115.21738  -179.79923
   47    46 S   HC   _H6_    42     1.09329   108.07202  -178.06730
   48    46 S   HC   _H7_    43     1.09407   110.19304    63.25429
   49    46 S   HC   _H8_    44     1.09424   110.38386   -59.39635
   50    44 S   N    _N4_    50     1.38677   112.81222    83.34893
   51    50 S   H    _H11    51     1.01456   118.60436     8.42469
   52    50 S   CT   _C9_    52     1.45531   122.64880  -176.10379
   53    52 S   HC   _H12    53     1.09445   109.08435     6.18196
   54    52 S   HC   _H13    54     1.09598   106.28080  -109.23343
   55    52 S   CT1  _C10    55     1.53369   114.32617   129.32618
   56    55 S   HC   _H4_    56     1.09533   108.89067   174.44074
   57    55 S   C    _C11    57     1.52439   113.97923   -62.23751
   58    57 S   O    _O36    58     1.22844   122.63004    36.44865
   59    55 S   NP   _N6_    80     1.49615   109.52740    59.52473
   60    59 S   H    _H22    81     1.02856   111.51272   -67.31976
   61    59 S   H    _H23    82     1.02900   110.84782   173.41554
   62    59 S   H    _H24    83     1.02846   111.72978    53.76160
   63    57 S   N    _N5_    59     1.38458   112.99100  -147.04009
   64    63 S   H    _H14    60     1.01620   120.10563     4.10885
   65    63 S   CT1  _C12    61     1.46500   123.18899  -177.10876
   66    65 S   HC   _H5_    62     1.09630   108.25026   -25.90063
   67    65 S   CO3  _C20    63     1.53977   110.78398  -145.04347
   68    67 S   O2Z  _O38    64     1.26408   115.47865   -59.76668
   69    67 S   O2Z  _O37    65     1.26393   114.83895   119.23857
   70    65 S   CT   _C13    66     1.53751   111.50053    94.88426
   71    70 S   HC   _H15    67     1.09852   110.29945   166.66649
   72    70 S   HC   _H16    68     1.09837   110.46086    50.29330
   73    70 S   CA   _C14    69     1.51152   112.87005   -72.47510
   74    73 S   CA   _C15    70     1.40190   120.28163   -75.66956
   75    74 S   HA   _H17    71     1.08719   120.26969    -1.34508
   76    74 S   CA   _C16    72     1.39519   120.47446   178.42194
   77    76 S   HA   _H18    73     1.08639   119.91178   179.98022
   78    76 S   CA   _C17    74     1.39326   120.05756    -0.12972
   79    78 S   HA   _H19    75     1.08605   119.96121  -179.93439
   80    78 S   CA   _C18    76     1.39371   119.96481     0.28393
   81    80 S   HA   _H20    77     1.08618   119.92321   179.76097
   82    73 S   CA   _C19    78     1.40150   120.69994   102.94448
   83    82 S   HA   _H21    79     1.08676   120.34521     1.49881
  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
  11   7   2   1   1  10   3   8   4   3   4   7   3   3   2   1
   1   8   4  11   5   4  10   7  11   4   4   2   1   1  10   4
  10   7   6   2   1   9   4   3   9   8   4   6   3   5   3   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    40    41    42    44    45    50  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    46    47    48    49    40    41    42    44  
   43    46    40  
   41    42    44    45    50    51    52    43  
   42    44    45    50  
   44    45    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    59  
   52    53    54    55  
   53    54    55    56    57    58    63    59    60    61    62  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    63    64    65    59    60    61    62  
   57    58    63    59    60    61    62  
   58    63    64    65    66    67    70    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    72    73  
   65    66    67    70  
   66    67    68    69    70    71    72    73    74    82  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73    74    75    76    80    82    83  
   72    73    74    82  
   73    74    82  
   74    75    76    77    78    80    81    82    83  
   75    76    77    78    79    80    82    83  
   76    77    78    82  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   214.000  1.327
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    50   490.000  1.335
   50    51   434.000  1.010
   50    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    59   367.000  1.471
   57    58   570.000  1.229
   57    63   490.000  1.335
   63    64   434.000  1.010
   63    65   337.000  1.449
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    70   268.000  1.529
   67    68   656.000  1.250
   67    69   656.000  1.250
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   469.000  1.400
   73    82   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   59    60   434.000  1.010
   59    61   434.000  1.010
   59    62   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    46    83.00000  116.90000
   43    38    39    83.00000  123.40000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    80.00000  120.40000
   40    44    50    70.00000  116.60000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    50    51    35.00000  119.80000
   44    50    52    50.00000  121.90000
   50    44    45    80.00000  122.90000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    70.00000  110.72300
   52    50    51    38.00000  118.40000
   52    55    56    37.50000  110.70000
   52    55    57    63.00000  111.10000
   52    55    59    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    80.00000  120.40000
   55    57    63    70.00000  116.60000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   57    55    56    35.00000  109.50000
   57    63    64    35.00000  119.80000
   57    63    65    50.00000  121.90000
   63    57    58    80.00000  122.90000
   63    65    66    35.00000  109.50000
   63    65    67    63.00000  110.10000
   63    65    70    80.00000  109.70000
   65    63    64    38.00000  118.40000
   65    67    68    70.00000  117.00000
   65    67    69    70.00000  117.00000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    63.00000  114.00000
   67    65    66    35.00000  109.50000
   69    67    68    80.00000  126.00000
   70    65    66    37.50000  110.70000
   70    65    67    63.00000  111.10000
   70    73    74    70.00000  120.00000
   70    73    82    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    82    80    63.00000  120.00000
   73    82    83    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   82    73    74    63.00000  120.00000
   82    80    81    35.00000  120.00000
   59    55    56    35.00000  109.50000
   59    55    57    80.00000  111.20000
   61    59    60    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    46   1.63150  1.0 1.0
   33    38    43    46   2.92000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    50   1.39750  1.0 1.0
   33    40    44    50  -0.07950 -1.0 2.0
   33    40    44    50  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    43    46    47   0.08050  1.0 3.0
   38    43    46    48   0.08050  1.0 3.0
   38    43    46    49   0.08050  1.0 3.0
   39    38    43    46   3.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.36750  1.0 3.0
   40    44    50    51   2.45000 -1.0 2.0
   40    44    50    52   1.49850  1.0 1.0
   40    44    50    52   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50   0.00000  1.0 1.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.00000  1.0 1.0
   44    50    52    55  -0.43950  1.0 1.0
   44    50    52    55  -0.08100 -1.0 2.0
   44    50    52    55   0.03350  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   3.04450 -1.0 2.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57  -2.10200  1.0 1.0
   50    52    55    57  -0.31600 -1.0 2.0
   50    52    55    57   0.13050  1.0 3.0
   50    52    55    59   3.05550  1.0 1.0
   50    52    55    59   2.44300 -1.0 2.0
   50    52    55    59   0.51100  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    63   0.93250  1.0 1.0
   52    55    57    63   0.04450 -1.0 2.0
   52    55    57    63   0.17550  1.0 3.0
   52    55    59    60   0.17350  1.0 3.0
   52    55    59    61   0.17350  1.0 3.0
   52    55    59    62   0.17350  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57  -0.03800  1.0 3.0
   53    52    55    59   0.23200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57  -0.03800  1.0 3.0
   54    52    55    59   0.23200  1.0 3.0
   55    57    63    64   2.45000 -1.0 2.0
   55    57    63    65   1.15000  1.0 1.0
   55    57    63    65   3.04450 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    63   0.00000  1.0 1.0
   56    55    59    60   0.13050  1.0 3.0
   56    55    59    61   0.13050  1.0 3.0
   56    55    59    62   0.13050  1.0 3.0
   57    55    59    60   0.17350  1.0 3.0
   57    55    59    61   0.17350  1.0 3.0
   57    55    59    62   0.17350  1.0 3.0
   57    63    65    66   0.00000  1.0 1.0
   57    63    65    67  -0.29800  1.0 1.0
   57    63    65    67   0.13950 -1.0 2.0
   57    63    65    67  -2.45650  1.0 3.0
   57    63    65    70   0.25950  1.0 1.0
   57    63    65    70   0.43850 -1.0 2.0
   57    63    65    70   2.61650  1.0 3.0
   58    57    63    64   2.45000 -1.0 2.0
   58    57    63    65   3.04450 -1.0 2.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.00000  1.0 1.0
   63    65    70    71   0.23200  1.0 3.0
   63    65    70    72   0.23200  1.0 3.0
   63    65    70    73   0.42250  1.0 1.0
   63    65    70    73  -0.48100 -1.0 2.0
   63    65    70    73   0.35650  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    70   0.00000  1.0 1.0
   65    70    73    74   0.00000  1.0 1.0
   65    70    73    82   0.00000  1.0 1.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.23100  1.0 3.0
   67    65    70    71  -0.03800  1.0 3.0
   67    65    70    72  -0.03800  1.0 3.0
   67    65    70    73  -0.84850  1.0 1.0
   67    65    70    73  -0.22800 -1.0 2.0
   67    65    70    73   0.29250  1.0 3.0
   70    65    67    68   0.00000  1.0 1.0
   70    65    67    69   0.00000  1.0 1.0
   70    73    74    75   3.62500 -1.0 2.0
   70    73    74    76   3.62500 -1.0 2.0
   70    73    82    80   3.62500 -1.0 2.0
   70    73    82    83   3.62500 -1.0 2.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    82   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    82   0.00000  1.0 1.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   74    73    82    80   3.62500 -1.0 2.0
   74    73    82    83   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76   -78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -82    73   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   81    80    82    73   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    73    74    75   3.62500 -1.0 2.0
   82    73   -74    76   3.62500 -1.0 2.0
   59    55    57    58   0.00000  1.0 1.0
   59    55    57    63   0.37150  1.0 1.0
   59    55    57    63   1.25400 -1.0 2.0
   59    55    57    63  -0.40250  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
   33    43    38    39  10.50000 -1.0 2.0
   40    50    44    45  10.50000 -1.0 2.0
   51    44    50    52   1.00000 -1.0 2.0
   55    63    57    58  10.50000 -1.0 2.0
   64    57    63    65   1.00000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
   74    82    73    70   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    83    82    73   1.10000 -1.0 2.0
END
