* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    148    224     424
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02042    83.31112    50.53481
    3     1 S   H    _H1_     3     1.02062    34.47236  -171.71262
    4     1 S   H    _H2_     4     1.02132    96.32504   -57.62949
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   CO   _C23    36     1.85082   100.04344   180.00000
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C24    37     1.53274   106.25959  -179.98022
   38    37 S   HC   _H21    38     1.09642   110.66910   -62.39863
   39    37 S   HC   _H22    39     1.09556   111.91051    55.51128
   40    37 S   HC   _H23    40     1.09624   111.86316   178.90336
   41    33 S   OH   _O36    41     1.42943   109.75314   -63.80432
   42    41 S   HO   _H24    42     0.97169   106.98913  -175.34293
   43    33 S   OS   _O35    43     1.43126   108.58171    62.21100
   44    43 S   CA   _C9_    44     1.37512   115.15518  -154.37323
   45    44 S   CA   _C8_    45     1.45993   117.72372    90.07525
   46    45 S   HA   _H9_    46     1.08375   119.60113    -0.02798
   47    45 S   CA   _C7_    47     1.45807   121.93168   179.80820
   48    47 S   HA   _H8_    48     1.08240   118.76103  -179.73607
   49    47 S   C56A _C6_    49     1.34193   117.74969     0.17471
   50    49 S   C56B _C11    50     1.46185   120.60891     0.03426
   51    44 S   CA   _C10    51     1.34649   122.33969   -89.98844
   52    51 S   HA   _H10    52     1.08362   121.63311     0.03426
   53    50 S   C5B  _C12    53     1.34291   109.79714  -179.97202
   54    53 S   C5A  _C13    54     1.48914   102.79377     0.17694
   55    53 S   CT   _C22    80     1.48169   131.53904   178.40492
   56    55 S   HC   _H18    81     1.09440   110.42038   -87.92344
   57    55 S   HC   _H19    82     1.09429   110.48830   151.97632
   58    55 S   HC   _H20    83     1.09421   110.46231    32.25058
   59    54 S   CA   _C14    55     1.46259   120.95055   179.48490
   60    49 S   NA   _N4_    72     1.40626   132.25947  -179.78878
   61    59 S   CA   _C15    56     1.39458   120.02138    89.94729
   62    61 S   HA   _H11    57     1.08674   120.68908     0.00000
   63    60 S   CT   _C5_    73     1.46529   120.89212    -0.99976
   64    63 S   HC   _H6_    74     1.09344   107.45301    46.03452
   65    63 S   HC   _H7_    75     1.09228   107.40070   163.82036
   66    61 S   CA   _C16    58     1.39512   119.98886  -179.98022
   67    66 S   HA   _H12    59     1.08651   119.67661   179.96044
   68    63 S   CT   _C4_    76     1.51313   109.26856   -74.93825
   69    68 S   HC   _H3_    77     1.09609   111.44031   -61.40792
   70    68 S   HC   _H4_    78     1.09570   111.46626    59.01329
   71    68 S   HC   _H5_    79     1.09573   110.17684   178.78115
   72    66 S   CA   _C17    60     1.39532   120.00907     0.06853
   73    72 S   CA   _C18    61     1.39515   119.96940    -0.07402
   74    73 S   HA   _H13    62     1.08682   120.30337  -179.90721
   75    72 S   OS   _O33    65     1.36041   120.01240  -180.00000
   76    59 S   CA   _C19    63     1.39492   119.93979   -89.98585
   77    76 S   HA   _H14    64     1.08638   120.60923    -0.10468
   78    75 S   CO4  _C20    66     1.40460   114.13094   -90.07753
   79    78 S   O    _O34    67     1.22443   125.71671    -0.08156
   80    78 S   CT   _C21    68     1.49976   110.07631  -180.00000
   81    80 S   HC   _H15    69     1.09248   109.87096   -90.06102
   82    80 S   HC   _H16    70     1.09293   109.34866   150.87741
   83    80 S   HC   _H17    71     1.09349   109.77946    31.83277
  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
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   8   3
  12  11   5   1  10  16   5   2   1   1  11   9   8   4   6   5
   4   7   3   3   2   1   1   8   5   3   7   1   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    51    52  
   45    46    47    48    49    50    51    52    53  
   46    47    48    49    50    51    52    60  
   47    48    49    51  
   48    49    50    51    53    54    60    63  
   49    50    60  
   50    51    52    53    54    59    60    63    64    65    68    55  
   51    52    53    54    59    60    63    55    56    57    58  
   52    53    54    60    55  
   53  
   54    59    61    76    60    63    55    56    57    58  
   59    61    62    66    73    76    77    60    63    64    65    68    55    56    57    58  
   56    57    58    59    60  
   57    58  
   58  
    0  
   61    62    66    67    72    73    74    76    77    60    63  
   63    64    65    68    69    70    71    61    76  
   62    66    67    72    73    76    77    75  
   66    67    72    76  
   64    65    68    69    70    71  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    76    75    78  
   72    73    75  
   69    70    71  
   70    71  
   71  
    0  
   73    74    76    77    75    78    79    80  
   74    76    77    75    78  
   76    77    75  
   78    79    80    81    82    83    76  
   77  
    0  
   79    80    81    82    83  
   80    81    82    83  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.026700   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.124100   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    51   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   447.000  1.419
   49    60   428.000  1.380
   50    51   469.000  1.404
   50    53   380.000  1.440
   51    52   367.000  1.080
   53    54   520.000  1.370
   53    55   295.000  1.494
   54    59   365.000  1.450
   54    60   427.000  1.381
   59    61   469.000  1.400
   59    76   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   469.000  1.400
   72    75   450.000  1.364
   73    74   367.000  1.080
   73    76   469.000  1.400
   76    77   367.000  1.080
   75    78   214.000  1.327
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   60    63   320.000  1.443
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    51    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    51    50    63.00000  120.00000
   44    51    52    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    85.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    85.00000  122.70000
   47    49    60    70.00000  132.80000
   49    47    48    35.00000  120.00000
   49    50    51    85.00000  116.20000
   49    50    53    80.00000  107.43600
   49    60    54    90.00000  107.14200
   49    60    63    65.00000  128.16600
   50    51    52    35.00000  120.00000
   50    53    54    80.00000  105.82900
   50    53    55    55.00000  128.73000
   51    44    45    63.00000  120.00000
   53    50    51    50.00000  134.85500
   53    54    59    55.00000  129.85000
   53    54    60    70.00000  106.30000
   53    55    56    45.00000  111.11700
   53    55    57    45.00000  111.11700
   53    55    58    45.00000  111.11700
   54    59    61    65.00000  121.65900
   54    59    76    65.00000  121.65900
   54    60    63    65.00000  127.50000
   59    61    62    35.00000  120.00000
   59    61    66    63.00000  120.00000
   59    76    73    63.00000  120.00000
   59    76    77    35.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    72    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    72    73    63.00000  120.00000
   66    72    75    70.00000  120.00000
   72    66    67    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    76    63.00000  120.00000
   72    75    78    85.00000  115.98000
   73    76    77    35.00000  120.00000
   76    59    61    63.00000  120.00000
   76    73    74    35.00000  120.00000
   75    72    73    70.00000  120.00000
   75    78    79    83.00000  123.40000
   75    78    80    81.00000  111.40000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   80    78    79    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   60    49    50    70.00000  104.40000
   60    54    59    75.00000  120.22300
   60    63    64    50.00000  108.61900
   60    63    65    50.00000  108.61900
   60    63    68    75.00000  111.19500
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    53    54    55.00000  127.77900
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    51   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    51    50   3.62500 -1.0 2.0
   43    44    51    52   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   45    44    51    50   3.62500 -1.0 2.0
   45    44    51    52   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    60   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.00000 -1.0 2.0
   47    49    50    53   3.00000 -1.0 2.0
   47    49    60    54   3.62500 -1.0 2.0
   47    49    60    63   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    60   3.62500 -1.0 2.0
   49    50   -51    44   3.50000 -1.0 2.0
   49    50    51    52   3.50000 -1.0 2.0
   49    50   -53    54   3.50000 -1.0 2.0
   49    50    53    55   3.62500 -1.0 2.0
   49    60    63    64   0.00000  1.0 1.0
   49    60    63    65   0.00000  1.0 1.0
   49    60    63    68   1.10250  1.0 1.0
   49    60    63    68   0.01650 -1.0 2.0
   49    60    63    68   0.39100  1.0 3.0
   50    49   -60    54   3.62500 -1.0 2.0
   50    49    60    63   3.62500 -1.0 2.0
   50    53    54    59   3.62500 -1.0 2.0
   50    53   -54    60   3.62500 -1.0 2.0
   50    53    55    56   0.00000  1.0 1.0
   50    53    55    57   0.00000  1.0 1.0
   50    53    55    58   0.00000  1.0 1.0
   51    44    45    46   3.62500 -1.0 2.0
   51    44   -45    47   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   51    50    53    55   3.62500 -1.0 2.0
   53    50    51    44   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    54    59    61  -0.19450  1.0 1.0
   53    54    59    61   0.63300 -1.0 2.0
   53    54    59    61   0.07450  1.0 3.0
   53    54    59    76  -0.19450  1.0 1.0
   53    54    59    76   0.63300 -1.0 2.0
   53    54    59    76   0.07450  1.0 3.0
   53    54   -60    49   3.62500 -1.0 2.0
   53    54    60    63   3.62500 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    58   0.00000  1.0 1.0
   54    59    61    62   3.62500 -1.0 2.0
   54    59    61    66   3.62500 -1.0 2.0
   54    59    76    73   3.62500 -1.0 2.0
   54    59    76    77   3.62500 -1.0 2.0
   54    60    63    64   0.00000  1.0 1.0
   54    60    63    65   0.00000  1.0 1.0
   54    60    63    68   1.10250  1.0 1.0
   54    60    63    68   0.01650 -1.0 2.0
   54    60    63    68   0.39100  1.0 3.0
   59    54    60    49   3.62500 -1.0 2.0
   59    54    60    63   3.62500 -1.0 2.0
   59    61    66    67   3.62500 -1.0 2.0
   59    61    66    72   3.62500 -1.0 2.0
   61    59    76    73   3.62500 -1.0 2.0
   61    59    76    77   3.62500 -1.0 2.0
   61    66   -72    73   3.62500 -1.0 2.0
   61    66    72    75   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    72   3.62500 -1.0 2.0
   66    72    73    74   3.62500 -1.0 2.0
   66    72    73    76   3.62500 -1.0 2.0
   66    72    75    78   0.01300  1.0 1.0
   66    72    75    78   0.97950 -1.0 2.0
   66    72    75    78  -0.55700  1.0 3.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    75   3.62500 -1.0 2.0
   72    73   -76    59   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    75    78    79   3.00000 -1.0 2.0
   72    75    78    80   0.75600  1.0 1.0
   72    75    78    80   1.63000 -1.0 2.0
   73    72    75    78   0.01300  1.0 1.0
   73    72    75    78   0.97950 -1.0 2.0
   73    72    75    78  -0.55700  1.0 3.0
   74    73    76    59   3.62500 -1.0 2.0
   74    73    76    77   3.62500 -1.0 2.0
   76    59    61    62   3.62500 -1.0 2.0
   76    59   -61    66   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    76   3.62500 -1.0 2.0
   75    78    80    81   0.00000  1.0 1.0
   75    78    80    82   0.00000  1.0 1.0
   75    78    80    83   0.00000  1.0 1.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    83   0.00000  1.0 1.0
   60    49    50    51   3.00000 -1.0 2.0
   60    49   -50    53   3.00000 -1.0 2.0
   60    54    59    61  -0.20000  1.0 1.0
   60    54    59    61   0.58050 -1.0 2.0
   60    54    59    76  -0.20000  1.0 1.0
   60    54    59    76   0.58050 -1.0 2.0
   60    63    68    69   0.15000  1.0 3.0
   60    63    68    70   0.15000  1.0 3.0
   60    63    68    71   0.15000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    71   0.15000  1.0 3.0
   55    53    54    59   3.62500 -1.0 2.0
   55    53    54    60   3.62500 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   45    51    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    60    49    47   4.00000 -1.0 2.0
   51    53    50    49   4.00000 -1.0 2.0
   50    52    51    44   1.10000 -1.0 2.0
   54    55    53    50   4.00000 -1.0 2.0
   59    60    54    53   4.00000 -1.0 2.0
   61    76    59    54   4.00000 -1.0 2.0
   66    62    61    59   1.10000 -1.0 2.0
   72    67    66    61   1.10000 -1.0 2.0
   73    75    72    66   4.00000 -1.0 2.0
   76    74    73    72   1.10000 -1.0 2.0
   73    77    76    59   1.10000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   54    63    60    49   4.00000 -1.0 2.0
END
